REMARK FINAL COORDINATES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 43.662 48.695 30.483 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 44.547 48.670 30.112 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 44.455 49.610 29.109 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 44.434 50.622 29.515 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 43.536 49.507 28.532 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 45.623 49.473 28.087 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 45.447 50.250 27.343 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 46.926 49.735 28.747 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 47.914 49.062 28.043 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 48.610 49.784 27.616 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 48.757 48.143 28.942 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 48.237 47.387 29.939 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 47.181 47.319 30.153 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 49.120 46.702 30.754 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 48.787 46.141 31.615 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 50.474 46.764 30.435 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 51.345 46.089 31.060 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 52.315 46.127 30.779 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 51.084 45.527 31.857 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 50.986 47.355 29.370 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 50.136 48.117 28.599 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 50.678 48.734 27.736 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 45.728 48.181 27.356 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 45.651 47.389 28.101 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 47.170 48.416 26.882 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 47.474 47.393 26.661 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 47.412 49.153 25.718 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 46.788 48.994 25.007 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 44.635 47.983 26.403 1.00 0.00 SBOX O ATOM 30 P ADE A 9 44.044 46.577 26.181 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 45.190 45.670 25.869 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 43.193 46.256 27.380 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 43.203 46.605 24.875 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 43.761 46.622 23.617 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 44.126 45.627 23.362 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 44.606 47.310 23.583 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 42.752 47.044 22.448 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 43.212 47.021 21.460 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 41.533 46.302 22.536 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 40.573 46.975 23.214 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 39.759 47.215 22.531 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 40.114 46.027 24.258 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 40.324 45.893 25.628 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 40.928 46.689 26.038 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 39.765 44.832 26.182 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 39.046 44.251 25.115 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 38.223 43.117 25.036 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 37.845 42.349 25.957 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 37.369 41.530 25.607 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 38.262 42.376 26.877 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 37.610 42.844 23.862 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 37.819 43.695 22.775 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 37.199 43.359 21.957 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 38.651 44.729 22.707 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 39.226 44.952 23.959 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 42.316 48.523 22.650 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 43.096 49.171 23.051 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 41.123 48.310 23.656 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 41.462 48.175 24.682 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 40.090 49.307 23.633 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 40.246 50.001 22.989 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 41.871 48.919 21.383 1.00 0.00 SBOX O ATOM 63 P ADE A 10 41.944 50.429 20.783 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 43.104 51.101 21.440 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 41.800 50.413 19.345 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 40.697 51.142 21.435 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 39.381 50.955 20.961 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 39.147 49.891 20.968 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 39.298 51.227 19.908 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 38.350 51.798 21.709 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 37.353 51.429 21.469 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 38.490 51.754 23.200 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 38.696 53.070 23.733 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 38.083 53.201 24.625 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 40.099 53.337 24.198 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 41.317 52.626 24.065 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 41.452 51.756 23.438 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 42.287 53.173 24.860 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 41.724 54.331 25.318 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 42.102 55.319 26.253 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 43.321 55.435 26.840 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 43.486 56.247 27.418 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 44.004 54.779 26.488 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 41.375 56.408 26.468 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 40.145 56.365 26.098 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 39.593 57.278 26.266 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 39.566 55.402 25.346 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 40.425 54.474 24.907 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 38.417 53.235 21.285 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 39.462 53.355 21.001 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 38.232 54.020 22.637 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 38.892 54.881 22.745 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 36.890 54.354 22.859 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 36.894 54.930 23.627 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 37.468 53.631 20.268 1.00 0.00 SBOX O ATOM 96 P GUA A 11 37.894 54.872 19.374 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 39.039 54.360 18.580 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 36.719 55.310 18.683 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 38.423 56.067 20.333 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 37.632 56.993 20.958 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 37.066 56.556 21.781 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 36.911 57.207 20.170 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 38.281 58.331 21.370 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 37.470 59.055 21.449 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 38.927 58.157 22.590 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 40.208 58.729 22.636 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 40.215 59.393 23.501 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 41.272 57.700 22.677 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 41.330 56.567 21.903 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 40.645 56.246 21.132 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 42.379 55.846 22.212 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 43.122 56.689 23.067 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 44.388 56.458 23.755 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 45.125 55.495 23.546 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 44.742 57.390 24.668 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 45.693 57.429 25.006 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 43.974 58.534 24.843 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 44.381 59.457 25.661 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 45.264 59.334 26.136 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 43.695 60.169 25.866 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 42.878 58.872 24.215 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 42.430 57.814 23.389 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 39.285 58.978 20.408 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 39.846 58.206 19.882 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 40.161 59.701 21.497 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 41.162 59.869 21.099 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 39.660 60.972 21.959 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 40.345 61.424 22.457 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 38.557 59.910 19.552 1.00 0.00 SBOX O ATOM 130 P ADE A 12 39.142 60.404 18.167 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 39.625 59.168 17.520 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 38.212 61.329 17.492 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 40.475 61.264 18.567 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 40.264 62.620 18.951 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 39.700 62.602 19.883 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 39.716 63.137 18.164 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 41.576 63.495 19.320 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 41.320 64.545 19.464 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 42.197 63.059 20.541 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 43.613 62.974 20.391 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 44.143 63.510 21.178 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 44.102 61.579 20.376 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 43.995 60.656 19.357 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 43.333 60.736 18.508 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 44.477 59.483 19.717 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 45.123 59.667 20.948 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 45.943 58.992 21.908 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 46.384 57.802 21.883 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 46.970 57.543 22.664 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 46.183 57.154 21.135 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 46.468 59.608 22.925 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 46.190 60.929 23.075 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 46.586 61.379 23.973 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 45.397 61.701 22.328 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 44.871 60.956 21.344 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 42.701 63.558 18.279 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 42.672 62.620 17.724 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 43.971 63.721 19.139 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 44.818 63.229 18.660 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 44.469 64.966 19.331 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 45.420 64.923 19.456 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 42.633 64.609 17.283 1.00 0.00 SBOX O ATOM 163 P GUA A 13 41.855 64.429 15.983 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 42.210 63.211 15.309 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 40.424 64.560 16.324 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 42.369 65.626 14.985 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 43.616 65.626 14.217 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 43.489 64.993 13.338 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 44.301 65.134 14.907 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 44.111 67.022 13.921 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 43.323 67.665 13.528 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 44.525 67.730 15.049 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 45.596 68.507 14.753 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 45.406 69.540 15.043 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 46.774 68.066 15.557 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 47.284 66.838 15.756 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 46.763 65.955 15.416 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 48.395 66.851 16.510 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 48.677 68.183 16.703 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 49.750 68.975 17.266 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 50.811 68.663 17.862 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 49.440 70.355 17.334 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 50.153 70.881 17.818 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 48.433 70.933 16.722 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 48.293 72.204 16.806 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 49.028 72.725 17.262 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 47.749 72.677 16.098 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 47.457 70.299 16.137 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 47.646 68.945 16.183 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 45.135 67.297 12.765 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 45.883 66.505 12.742 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 45.850 68.573 13.260 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 46.916 68.620 13.036 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 45.128 69.752 12.928 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 45.097 69.883 11.978 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 44.723 67.639 11.478 1.00 0.00 SBOX O ATOM 197 P ADE A 14 44.157 66.606 10.560 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 44.935 65.329 10.624 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 42.725 66.489 10.820 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 44.432 67.125 9.114 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 45.811 67.313 8.698 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 46.184 66.317 8.459 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 46.355 67.567 9.608 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 45.823 68.289 7.505 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 46.766 68.822 7.627 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 45.744 67.587 6.324 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 44.670 68.023 5.517 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 45.027 68.131 4.493 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 43.516 67.004 5.543 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 43.409 65.853 6.235 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 44.130 65.559 6.983 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 42.333 65.187 5.963 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 41.699 65.877 4.928 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 40.557 65.791 4.097 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 39.677 64.819 4.121 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 38.920 64.878 3.455 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 39.800 64.058 4.774 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 40.186 66.713 3.228 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 40.879 67.806 3.179 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 40.457 68.627 2.617 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 42.082 68.033 3.778 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 42.475 66.995 4.632 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 44.741 69.395 7.492 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 43.854 69.027 8.008 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 44.360 69.421 6.009 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 43.314 69.720 5.948 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 45.133 70.316 5.196 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 46.032 69.981 5.195 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 45.231 70.628 8.078 1.00 0.00 SBOX O ATOM 230 P GUA A 15 45.906 70.750 9.525 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 44.815 70.447 10.497 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 47.164 69.919 9.537 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 46.219 72.342 9.857 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 47.501 72.969 9.637 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 47.515 73.374 8.625 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 48.294 72.236 9.782 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 47.696 74.243 10.519 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 47.017 75.069 10.311 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 47.581 73.953 11.932 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 48.660 74.444 12.656 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 48.437 75.031 13.547 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 49.493 73.238 12.967 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 49.235 71.926 12.784 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 48.445 71.604 12.122 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 49.972 71.121 13.498 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 50.804 72.008 14.207 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 51.865 71.804 15.140 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 52.291 70.778 15.623 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 52.373 72.942 15.763 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 53.188 72.924 16.360 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 52.085 74.199 15.317 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 52.629 75.124 15.922 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 53.385 74.803 16.510 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 52.424 76.073 15.643 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 51.190 74.435 14.303 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 50.580 73.297 13.829 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 49.080 74.839 10.361 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 49.855 74.088 10.205 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 49.287 75.551 11.761 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 50.309 75.810 12.035 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 48.511 76.725 11.846 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 48.718 77.153 12.680 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 49.187 75.760 9.258 1.00 0.00 SBOX O ATOM 264 P GUA A 16 50.542 75.960 8.456 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 51.188 74.644 8.321 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 50.191 76.759 7.264 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 51.509 76.793 9.392 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 52.925 77.004 9.059 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 52.975 77.674 8.200 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 53.457 76.073 8.862 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 53.545 77.682 10.301 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 53.307 78.745 10.264 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 53.080 77.194 11.543 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 54.167 76.899 12.421 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 53.935 77.220 13.436 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 54.214 75.443 12.547 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 53.343 74.506 11.998 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 52.516 74.801 11.368 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 53.568 73.182 12.284 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 54.636 73.394 13.180 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 55.390 72.451 13.963 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 55.209 71.229 14.021 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 56.387 72.994 14.797 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 56.905 72.321 15.343 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 56.637 74.315 14.871 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 57.693 74.717 15.487 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 58.305 74.068 15.960 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 57.712 75.713 15.655 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 56.114 75.230 14.106 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 55.047 74.727 13.325 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 55.123 77.574 10.386 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 55.484 76.605 10.041 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 55.388 77.564 11.828 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 56.289 76.977 12.003 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 55.439 78.901 12.379 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 56.058 78.882 13.113 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 55.778 78.604 9.711 1.00 0.00 SBOX O ATOM 298 P URA A 17 56.820 78.336 8.573 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 56.306 77.362 7.634 1.00 0.00 SBOX ATOM 300 O2P URA A 17 57.399 79.592 8.090 1.00 0.00 SBOX ATOM 301 O5' URA A 17 57.817 77.612 9.507 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 58.957 78.245 10.051 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 58.684 79.157 10.581 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 59.590 78.706 9.292 1.00 0.00 SBOX ATOM 305 C4' URA A 17 59.915 77.514 10.897 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 60.605 78.285 11.241 1.00 0.00 SBOX ATOM 307 O4' URA A 17 59.308 76.925 12.003 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 59.935 75.751 12.413 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 60.256 75.873 13.448 1.00 0.00 SBOX ATOM 310 N1 URA A 17 59.085 74.519 12.234 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 58.137 74.525 11.307 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 57.898 75.433 10.774 1.00 0.00 SBOX ATOM 313 C5 URA A 17 57.546 73.274 10.981 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 56.893 73.245 10.122 1.00 0.00 SBOX ATOM 315 C4 URA A 17 57.962 71.993 11.608 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 57.557 70.872 11.298 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 58.820 72.185 12.652 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 59.064 71.324 13.120 1.00 0.00 SBOX ATOM 319 C2 URA A 17 59.410 73.399 12.959 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 60.317 73.285 13.819 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 60.848 76.519 10.140 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 60.277 76.017 9.358 1.00 0.00 SBOX ATOM 323 C2' URA A 17 61.164 75.662 11.430 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 61.318 74.622 11.142 1.00 0.00 SBOX ATOM 325 O2' URA A 17 62.162 76.167 12.218 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 62.701 75.521 12.681 1.00 0.00 SBOX ATOM 327 O3' URA A 17 62.066 77.106 9.569 1.00 0.00 SBOX O ATOM 328 P GUA A 18 62.855 76.337 8.446 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 61.880 76.086 7.407 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 64.063 77.056 8.071 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 63.142 74.853 9.023 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 64.156 74.475 10.045 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 63.975 75.223 10.817 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 65.157 74.529 9.619 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 63.934 72.956 10.449 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 64.698 72.918 11.225 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 62.673 72.591 10.916 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 62.390 71.289 10.552 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 62.102 70.707 11.426 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 61.187 71.353 9.652 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 60.845 72.377 8.763 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 61.389 73.307 8.689 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 59.649 72.208 8.392 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 59.247 70.911 8.858 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 58.013 70.107 8.724 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 56.902 70.416 8.260 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 58.076 68.835 9.255 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 57.364 68.147 9.056 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 59.213 68.292 9.703 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 59.125 66.958 10.002 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 58.389 66.414 9.575 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 59.947 66.578 10.448 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 60.310 68.996 9.980 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 60.270 70.291 9.539 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 64.388 71.927 9.409 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 63.927 72.273 8.484 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 63.743 70.726 9.991 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 63.519 69.980 9.229 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 64.537 70.140 11.033 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 65.280 69.639 10.688 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 65.836 71.839 9.308 1.00 0.00 SBOX O ATOM 362 P GUA A 19 66.760 72.620 8.345 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 65.960 73.119 7.154 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 67.441 73.704 9.084 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 68.000 71.723 7.849 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 67.896 70.544 7.042 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 68.845 70.021 6.915 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 67.642 70.866 6.032 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 67.069 69.378 7.546 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 67.629 68.899 8.350 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 65.719 69.585 7.975 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 64.803 68.627 7.442 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 64.316 68.117 8.274 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 63.869 69.396 6.555 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 64.100 70.622 6.079 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 65.065 71.074 5.904 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 63.047 71.216 5.524 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 62.010 70.228 5.827 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 60.559 70.253 5.608 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 59.757 71.012 4.989 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 59.937 69.160 6.063 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 58.942 69.040 5.935 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 60.577 68.094 6.641 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 59.816 67.057 6.829 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 58.831 67.159 6.632 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 60.198 66.152 7.062 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 61.890 68.071 6.935 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 62.560 69.111 6.417 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 66.933 68.347 6.382 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 66.851 68.870 5.429 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 65.676 67.533 6.800 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 65.245 67.179 5.863 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 65.812 66.465 7.702 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 66.278 65.734 7.291 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 68.049 67.551 6.255 1.00 0.00 SBOX O ATOM 396 P ADE A 20 68.208 66.537 5.037 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 67.299 66.997 4.031 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 69.609 66.536 4.745 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 67.746 65.073 5.585 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 68.436 64.483 6.656 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 68.590 65.209 7.454 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 69.457 64.365 6.293 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 67.669 63.212 7.052 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 68.043 62.781 7.981 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 66.351 63.639 7.261 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 65.523 62.656 6.681 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 65.190 61.907 7.400 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 64.364 63.224 6.021 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 64.119 64.398 5.272 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 64.797 65.238 5.292 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 62.929 64.691 4.916 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 62.363 63.490 5.256 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 61.082 63.029 5.001 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 60.061 63.606 4.413 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 59.199 63.079 4.388 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 60.122 64.602 4.252 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 60.726 61.854 5.386 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 61.592 61.064 5.967 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 61.165 60.074 6.038 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 62.877 61.266 6.193 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 63.184 62.575 5.884 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 67.727 62.188 5.926 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 68.012 62.721 5.019 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 66.243 61.819 5.673 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 65.981 62.101 4.653 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 65.793 60.451 5.832 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 65.859 60.198 6.755 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 68.637 61.050 6.060 1.00 0.00 SBOX O ATOM 429 P GUA A 21 68.798 60.128 7.368 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 69.232 58.809 6.933 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 69.654 60.935 8.351 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 67.334 60.110 7.998 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 67.061 59.119 8.919 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 67.891 59.030 9.620 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 66.967 58.183 8.368 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 65.764 59.504 9.594 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 65.938 60.231 10.387 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 64.676 60.014 8.784 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 63.490 59.327 8.998 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 62.602 59.958 8.966 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 63.378 58.290 7.967 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 64.332 57.660 7.161 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 65.336 58.009 6.966 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 63.817 56.465 6.713 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 62.406 56.461 7.113 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 61.282 55.538 6.878 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 61.242 54.417 6.267 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 60.062 56.005 7.339 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 59.295 55.348 7.339 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 60.025 57.139 8.111 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 58.834 57.495 8.564 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 58.038 56.912 8.351 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 58.886 58.202 9.283 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 61.015 57.968 8.355 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 62.179 57.562 7.812 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 65.211 58.326 10.368 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 65.508 57.391 9.895 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 63.719 58.686 10.415 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 63.129 57.787 10.593 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 63.356 59.627 11.433 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 62.420 59.839 11.465 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 65.703 58.258 11.710 1.00 0.00 SBOX O ATOM 463 P GUA A 22 65.542 56.874 12.522 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 66.034 55.814 11.629 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 66.223 57.199 13.796 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 63.946 56.670 12.641 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 63.271 57.365 13.695 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 63.501 58.427 13.613 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 63.596 57.060 14.690 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 61.798 57.161 13.768 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 61.446 57.838 14.546 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 61.030 57.498 12.559 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 59.993 56.496 12.361 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 59.006 56.827 12.038 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 60.459 55.530 11.294 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 61.717 55.336 10.815 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 62.608 55.901 11.044 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 61.840 54.223 10.108 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 60.524 53.677 10.102 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 59.843 52.522 9.473 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 60.387 51.595 8.846 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 58.539 52.379 9.748 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 57.974 51.719 9.234 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 57.842 53.277 10.424 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 56.636 52.923 10.705 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 56.196 52.072 10.384 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 56.160 53.500 11.383 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 58.312 54.431 10.928 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 59.713 54.507 10.828 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 61.434 55.718 14.196 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 61.992 54.972 13.630 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 59.944 55.793 13.718 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 59.582 54.767 13.778 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 59.041 56.623 14.442 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 58.169 56.668 14.043 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 61.702 55.486 15.588 1.00 0.00 SBOX O ATOM 497 P GUA A 23 61.865 53.994 16.187 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 62.893 53.320 15.347 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 62.189 54.142 17.563 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 60.464 53.371 15.928 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 59.353 53.986 16.574 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 59.301 55.057 16.376 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 59.394 54.010 17.663 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 58.062 53.291 16.184 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 57.214 53.749 16.692 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 57.821 53.356 14.811 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 57.208 52.145 14.402 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 56.248 52.353 13.930 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 58.106 51.376 13.522 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 59.475 51.470 13.527 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 60.070 52.179 14.083 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 60.022 50.654 12.616 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 58.976 49.882 12.079 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 58.861 48.916 10.978 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 59.702 48.405 10.230 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 57.606 48.360 10.849 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 57.415 47.599 10.213 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 56.582 48.708 11.600 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 55.517 48.055 11.357 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 55.531 47.228 10.777 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 54.672 48.408 11.782 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 56.587 49.772 12.326 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 57.816 50.339 12.629 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 57.971 51.819 16.567 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 58.896 51.273 16.382 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 56.840 51.361 15.618 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 56.867 50.301 15.367 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 55.545 51.837 16.118 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 55.342 51.277 16.871 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 57.602 51.576 17.866 1.00 0.00 SBOX O ATOM 531 P ADE A 24 57.832 50.156 18.550 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 57.101 50.226 19.839 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 57.563 49.032 17.567 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 59.420 50.091 18.938 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 60.273 51.248 19.180 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 59.697 51.977 19.751 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 60.499 51.706 18.217 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 61.520 50.821 19.941 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 62.182 51.683 20.028 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 61.117 50.469 21.225 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 61.740 49.285 21.553 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 62.114 49.418 22.569 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 60.700 48.209 21.630 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 59.368 48.235 21.316 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 58.927 49.093 20.831 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 58.637 47.229 21.786 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 59.582 46.483 22.472 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 59.584 45.346 23.295 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 58.526 44.540 23.493 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 58.637 43.674 24.000 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 57.667 44.757 23.007 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 60.695 44.775 23.827 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 61.781 45.412 23.603 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 62.652 44.923 24.012 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 61.977 46.522 22.916 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 60.839 47.026 22.337 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 62.476 49.699 19.432 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 61.887 48.940 18.917 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 62.968 49.064 20.733 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 63.130 48.005 20.533 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 64.089 49.727 21.274 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 64.585 50.263 20.650 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 63.512 50.170 18.590 1.00 0.00 SBOX O ATOM 564 P CYT A 25 64.146 49.219 17.496 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 63.012 48.966 16.552 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 65.333 49.911 16.914 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 64.559 47.899 18.220 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 65.698 47.711 18.953 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 65.765 48.326 19.851 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 66.517 47.794 18.239 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 65.819 46.277 19.478 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 66.764 46.061 19.976 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 64.719 45.997 20.334 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 64.397 44.661 20.348 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 64.586 44.273 21.349 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 62.925 44.508 20.055 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 62.256 45.291 19.168 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 62.754 46.022 18.547 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 60.895 45.294 19.282 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 60.356 45.982 18.648 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 60.267 44.378 20.207 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 58.972 44.244 20.271 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 58.567 43.433 20.716 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 58.412 44.864 19.703 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 60.936 43.429 20.817 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 62.241 43.530 20.807 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 62.948 42.682 21.449 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 65.649 45.237 18.326 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 64.765 45.457 17.726 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 65.304 43.999 19.263 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 64.724 43.250 18.723 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 66.336 43.503 20.031 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 66.049 42.777 20.591 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 66.804 44.950 17.691 1.00 0.00 SBOX O ATOM 595 P URA A 26 66.768 44.344 16.242 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 65.792 45.116 15.357 1.00 0.00 SBOX ATOM 597 O2P URA A 26 68.091 44.068 15.681 1.00 0.00 SBOX ATOM 598 O5' URA A 26 66.054 42.901 16.578 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 66.859 41.741 16.765 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 67.340 41.852 17.737 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 67.693 41.698 16.065 1.00 0.00 SBOX ATOM 602 C4' URA A 26 66.061 40.407 16.843 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 66.722 39.591 17.133 1.00 0.00 SBOX ATOM 604 O4' URA A 26 64.946 40.330 17.817 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 63.844 39.661 17.104 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 63.496 38.766 17.621 1.00 0.00 SBOX ATOM 607 N1 URA A 26 62.705 40.606 16.996 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 62.835 41.964 17.000 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 63.819 42.361 16.796 1.00 0.00 SBOX ATOM 610 C5 URA A 26 61.753 42.731 16.900 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 61.840 43.807 16.870 1.00 0.00 SBOX ATOM 612 C4 URA A 26 60.439 42.216 17.047 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 59.407 42.900 16.995 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 60.374 40.849 17.059 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 59.459 40.477 16.849 1.00 0.00 SBOX ATOM 616 C2 URA A 26 61.443 40.049 16.869 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 61.194 38.850 16.858 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 65.541 40.047 15.415 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 65.234 40.987 14.957 1.00 0.00 SBOX ATOM 620 C2' URA A 26 64.339 39.193 15.756 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 63.532 39.310 15.032 1.00 0.00 SBOX ATOM 622 O2' URA A 26 64.703 37.798 15.850 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 63.900 37.279 15.763 1.00 0.00 SBOX ATOM 624 O3' URA A 26 66.478 39.342 14.588 1.00 0.00 SBOX O ATOM 625 P GUA A 27 66.506 39.582 12.995 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 66.223 41.006 12.645 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 67.700 39.028 12.397 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 65.179 38.824 12.588 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 65.095 37.433 12.334 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 65.509 36.864 13.166 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 65.675 37.212 11.438 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 63.705 37.033 12.191 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 63.582 35.954 12.282 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 62.974 37.636 13.287 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 61.618 37.926 12.948 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 60.967 37.292 13.551 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 61.182 39.351 13.238 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 62.016 40.412 13.443 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 63.083 40.326 13.300 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 61.407 41.534 13.746 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 60.025 41.172 13.746 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 58.807 41.927 14.055 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 58.715 43.140 14.286 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 57.649 41.164 13.943 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 56.796 41.688 14.084 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 57.668 39.859 13.642 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 56.477 39.323 13.297 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 55.704 39.895 13.606 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 56.392 38.463 12.775 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 58.720 39.156 13.388 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 59.919 39.849 13.506 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 62.875 37.561 10.981 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 63.072 38.607 10.747 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 61.466 37.441 11.489 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 60.818 38.195 11.043 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 60.900 36.095 11.469 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 60.019 36.125 11.848 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 63.070 36.859 9.772 1.00 0.00 SBOX O ATOM 659 P GUA A 28 62.552 37.402 8.352 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 63.169 38.645 8.222 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 62.721 36.321 7.361 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 61.025 37.545 8.431 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 60.328 38.705 8.004 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 60.110 38.499 6.956 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 61.000 39.559 8.086 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 59.087 39.057 8.776 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 58.472 38.182 8.983 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 59.234 39.751 9.962 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 58.031 40.495 10.171 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 57.459 39.952 10.923 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 58.238 41.864 10.663 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 59.470 42.508 10.733 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 60.392 41.984 10.528 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 59.415 43.641 11.426 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 58.076 43.861 11.657 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 57.337 44.834 12.416 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 57.725 45.800 12.997 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 55.976 44.642 12.523 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 55.514 45.391 13.018 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 55.377 43.625 11.970 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 54.090 43.665 11.982 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 53.583 44.425 12.413 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 53.502 42.991 11.513 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 56.007 42.642 11.412 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 57.379 42.742 11.198 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 58.268 39.929 7.843 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 58.805 40.824 7.531 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 57.232 40.369 8.889 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 56.873 41.338 8.541 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 56.159 39.506 9.123 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 55.455 40.044 9.492 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 57.706 39.219 6.746 1.00 0.00 SBOX O ATOM 693 P CYT A 29 57.264 40.105 5.404 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 58.455 40.928 5.017 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 56.694 39.196 4.366 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 56.076 41.119 5.753 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 54.765 40.786 6.059 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 54.659 39.915 6.706 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 54.210 40.742 5.122 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 54.122 41.913 6.886 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 53.127 41.518 7.089 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 54.821 42.143 8.026 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 54.758 43.465 8.524 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 54.350 43.444 9.534 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 56.075 44.166 8.527 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 57.111 43.671 7.790 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 56.900 42.747 7.272 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 58.299 44.364 7.745 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 59.137 43.931 7.219 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 58.366 45.578 8.420 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 59.436 46.304 8.300 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 59.540 47.071 8.949 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 60.238 45.731 8.081 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 57.356 46.061 9.110 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 56.185 45.362 9.156 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 55.247 45.902 9.657 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 54.024 43.289 6.156 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 55.010 43.480 5.734 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 53.787 44.077 7.492 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 53.928 45.137 7.282 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 52.475 43.923 8.081 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 52.269 44.719 8.577 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 52.976 43.441 5.138 1.00 0.00 SBOX O ATOM 724 P CYT A 30 53.153 44.606 4.093 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 54.567 44.908 3.861 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 52.461 44.284 2.856 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 52.420 45.758 4.949 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 52.695 47.133 4.690 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 52.002 47.345 3.876 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 53.689 47.315 4.281 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 52.353 47.930 5.947 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 51.316 47.762 6.237 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 53.113 47.537 7.132 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 53.645 48.789 7.676 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 53.471 48.766 8.752 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 55.128 49.008 7.483 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 55.842 48.225 6.582 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 55.230 47.423 6.196 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 57.191 48.382 6.270 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 57.676 47.769 5.525 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 57.835 49.276 7.140 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 59.148 49.512 7.061 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 59.679 50.041 7.737 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 59.497 49.336 6.129 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 57.201 50.022 8.013 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 55.849 49.933 8.204 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 55.277 50.715 9.002 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 52.660 49.468 5.726 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 53.600 49.541 5.178 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 52.803 49.964 7.187 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 53.365 50.897 7.202 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 51.688 49.917 8.106 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 51.732 50.641 8.734 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 51.570 50.025 5.118 1.00 0.00 SBOX O ATOM 755 P CYT A 31 51.697 51.273 4.169 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 52.653 50.942 3.070 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 50.302 51.580 3.736 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 52.314 52.482 5.023 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 51.440 53.117 5.973 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 51.129 52.388 6.721 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 50.565 53.524 5.465 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 52.237 54.134 6.833 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 51.556 54.721 7.450 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 53.343 53.514 7.556 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 54.472 54.373 7.712 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 54.662 54.585 8.764 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 55.734 53.822 7.081 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 55.689 52.760 6.165 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 54.725 52.367 5.879 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 56.832 52.278 5.658 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 56.885 51.413 5.014 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 57.993 52.800 6.161 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 59.126 52.414 5.804 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 59.790 53.036 6.243 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 59.257 51.603 5.216 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 58.089 53.781 6.920 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 56.990 54.414 7.389 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 57.098 55.423 8.128 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 52.966 55.172 6.033 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 53.432 54.711 5.163 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 53.955 55.676 7.087 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 54.757 56.275 6.655 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 53.347 56.367 8.110 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 54.034 56.971 8.402 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 52.165 56.201 5.461 1.00 0.00 SBOX O ATOM 786 P GUA A 32 52.619 57.018 4.254 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 53.109 56.148 3.182 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 51.641 58.065 3.884 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 53.969 57.814 4.752 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 53.912 59.064 5.414 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 53.447 59.027 6.399 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 53.223 59.732 4.896 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 55.247 59.785 5.655 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 55.181 60.755 6.147 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 56.150 58.968 6.456 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 57.443 58.904 5.817 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 58.300 59.232 6.405 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 57.811 57.609 5.235 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 57.067 56.565 4.781 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 56.012 56.443 4.980 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 57.731 55.628 4.120 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 59.015 56.192 4.073 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 60.235 55.778 3.382 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 60.334 54.796 2.664 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 61.306 56.621 3.588 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 62.201 56.413 3.168 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 61.235 57.799 4.230 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 62.235 58.570 4.167 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 63.119 58.320 3.746 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 62.274 59.424 4.704 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 60.151 58.166 4.844 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 59.098 57.358 4.738 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 55.956 59.871 4.289 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 55.830 58.862 3.897 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 57.453 59.901 4.620 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 58.071 59.590 3.778 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 57.817 61.166 4.989 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 58.735 61.129 5.268 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 55.572 60.824 3.325 1.00 0.00 SBOX O ATOM 820 P ADE A 33 55.802 60.492 1.787 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 57.052 59.719 1.543 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 54.596 59.949 1.222 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 56.034 61.840 1.068 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 57.207 62.616 1.355 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 58.021 61.906 1.207 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 57.136 63.002 2.371 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 57.358 63.800 0.385 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 56.474 64.427 0.504 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 58.459 64.589 0.932 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 59.484 64.657 -0.061 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 59.472 65.635 -0.542 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 60.817 64.355 0.377 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 61.896 65.157 0.260 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 61.848 66.141 -0.182 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 63.027 64.696 0.767 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 62.626 63.490 1.358 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 63.234 62.529 2.178 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 64.444 62.651 2.657 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 64.818 61.814 3.082 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 64.950 63.479 2.376 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 62.640 61.416 2.597 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 61.410 61.261 2.213 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 60.876 60.326 2.298 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 60.727 62.112 1.424 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 61.338 63.266 1.069 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 57.673 63.317 -1.081 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 57.443 62.267 -1.262 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 59.156 63.627 -1.159 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 59.694 62.709 -0.922 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 59.695 64.124 -2.434 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 59.396 65.019 -2.610 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 56.885 63.855 -2.166 1.00 0.00 SBOX O ATOM 853 P URA A 34 56.676 65.439 -2.384 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 57.831 66.121 -1.862 1.00 0.00 SBOX ATOM 855 O2P URA A 34 56.325 65.613 -3.771 1.00 0.00 SBOX ATOM 856 O5' URA A 34 55.359 65.839 -1.516 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 54.081 65.278 -1.819 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 54.007 64.224 -1.550 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 53.969 65.288 -2.903 1.00 0.00 SBOX ATOM 860 C4' URA A 34 52.878 66.011 -1.306 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 53.102 67.078 -1.330 1.00 0.00 SBOX ATOM 862 O4' URA A 34 51.901 65.917 -2.302 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 50.673 65.300 -1.872 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 49.806 65.739 -2.364 1.00 0.00 SBOX ATOM 865 N1 URA A 34 50.726 63.834 -2.293 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 51.591 63.354 -3.267 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 52.233 64.039 -3.801 1.00 0.00 SBOX ATOM 868 C5 URA A 34 51.528 62.083 -3.694 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 52.271 61.665 -4.358 1.00 0.00 SBOX ATOM 870 C4 URA A 34 50.602 61.121 -3.026 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 50.644 59.869 -3.062 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 49.766 61.706 -2.140 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 49.184 60.998 -1.716 1.00 0.00 SBOX ATOM 874 C2 URA A 34 49.696 62.996 -1.830 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 48.622 63.349 -1.279 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 52.168 65.563 -0.011 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 52.317 64.487 0.077 1.00 0.00 SBOX ATOM 878 C2' URA A 34 50.681 65.625 -0.382 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 50.104 64.850 0.121 1.00 0.00 SBOX ATOM 880 O2' URA A 34 50.144 66.889 -0.069 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 50.239 67.024 0.876 1.00 0.00 SBOX ATOM 882 O3' URA A 34 52.401 66.339 1.158 1.00 0.00 SBOX O ATOM 883 P GUA A 35 51.758 65.943 2.548 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 50.490 66.582 2.520 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 51.792 64.493 2.616 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 52.590 66.625 3.751 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 53.040 65.991 4.914 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 52.283 65.252 5.177 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 52.995 66.651 5.780 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 54.436 65.270 4.802 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 54.294 64.199 4.947 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 55.100 65.545 3.605 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 56.562 65.476 3.938 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 57.166 64.789 3.345 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 57.033 66.839 3.620 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 56.230 67.873 3.292 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 55.178 67.736 3.494 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 56.843 68.899 2.845 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 58.193 68.592 2.901 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 59.387 69.257 2.524 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 59.469 70.291 1.859 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 60.539 68.651 2.798 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 61.441 69.035 2.555 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 60.589 67.369 3.204 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 61.804 67.006 3.329 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 62.436 67.794 3.324 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 62.054 66.172 3.842 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 59.553 66.556 3.547 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 58.328 67.305 3.420 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 55.348 65.554 5.952 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 55.370 66.642 5.995 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 56.742 65.121 5.378 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 57.586 65.634 5.840 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 56.953 63.776 5.263 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 56.608 63.371 6.063 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 55.064 65.003 7.196 1.00 0.00 SBOX O ATOM 917 P ADE A 36 55.850 65.229 8.476 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 56.920 66.227 8.362 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 54.898 65.448 9.528 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 56.516 63.804 8.675 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 55.654 62.601 8.770 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 55.257 62.404 7.774 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 54.958 62.675 9.605 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 56.687 61.446 9.121 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 56.192 60.476 9.173 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 57.768 61.286 8.144 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 58.958 61.196 8.939 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 59.468 60.298 8.591 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 59.753 62.404 8.679 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 59.485 63.455 7.804 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 58.597 63.571 7.201 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 60.407 64.403 7.725 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 61.431 63.820 8.523 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 62.730 64.295 8.932 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 63.167 65.490 8.691 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 64.167 65.613 8.765 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 62.443 66.091 8.322 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 63.609 63.531 9.537 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 63.061 62.391 10.084 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 63.664 61.721 10.679 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 61.817 61.996 9.901 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 61.041 62.722 9.099 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 57.383 61.633 10.442 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 57.458 62.705 10.623 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 58.715 60.887 10.399 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 59.425 61.390 11.056 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 58.506 59.535 10.597 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 58.044 59.434 11.432 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 56.629 61.120 11.565 1.00 0.00 SBOX O ATOM 950 P ADE A 37 56.806 61.819 13.044 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 56.257 63.198 12.863 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 56.174 60.905 14.010 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 58.359 61.862 13.341 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 59.198 60.774 13.767 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 59.342 59.950 13.069 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 58.703 60.257 14.590 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 60.554 61.180 14.213 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 61.043 60.305 14.641 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 61.272 61.615 13.071 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 62.317 62.506 13.556 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 63.277 62.051 13.313 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 62.055 63.806 12.865 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 60.807 64.343 12.493 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 59.862 63.865 12.703 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 60.902 65.508 11.927 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 62.264 65.723 11.962 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 63.116 66.861 11.725 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 62.667 67.935 11.162 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 63.261 68.688 10.847 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 61.692 67.991 10.904 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 64.431 66.934 12.066 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 64.945 65.825 12.583 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 66.018 65.931 12.653 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 64.335 64.735 12.953 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 63.015 64.743 12.574 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 60.720 62.249 15.367 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 60.016 63.046 15.125 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 62.178 62.726 15.066 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 62.209 63.768 15.386 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 63.186 61.902 15.799 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 62.753 61.181 16.261 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 60.683 61.666 16.640 1.00 0.00 SBOX O ATOM 983 P ADE A 38 60.034 62.320 17.903 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 58.646 62.674 17.638 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 60.433 61.598 19.153 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 60.830 63.756 17.862 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 62.262 63.782 18.292 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 62.951 63.038 17.892 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 62.243 63.644 19.372 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 62.880 65.218 18.083 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 63.837 65.095 18.588 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 62.969 65.581 16.695 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 62.453 66.923 16.574 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 63.147 67.629 16.117 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 61.166 66.982 15.915 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 60.084 66.132 15.987 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 60.089 65.254 16.615 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 59.141 66.382 15.092 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 59.619 67.584 14.520 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 59.180 68.547 13.567 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 58.060 68.541 12.897 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 57.906 69.273 12.217 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 57.440 67.747 12.968 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 59.881 69.683 13.334 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 60.936 69.905 13.961 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 61.292 70.892 13.703 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 61.507 69.109 14.884 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 60.817 67.913 14.984 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 61.934 66.199 18.806 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 60.870 65.996 18.693 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 62.302 67.449 18.076 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 61.453 68.128 18.153 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 63.449 68.032 18.673 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 63.310 67.774 19.587 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 62.322 66.265 20.152 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 61.264 66.723 21.307 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 59.946 66.067 21.084 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 61.952 66.606 22.608 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 61.075 68.337 21.052 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 61.986 69.336 21.426 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 63.032 69.078 21.261 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 61.840 69.462 22.499 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 61.672 70.697 20.661 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 62.487 71.374 20.917 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 61.613 70.602 19.265 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 60.691 71.483 18.794 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 61.298 72.228 18.280 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 59.680 70.855 17.908 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 59.311 69.598 18.160 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 59.788 69.033 18.948 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 58.258 69.063 17.530 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 57.860 68.082 17.747 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 57.686 69.852 16.585 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 56.724 69.362 15.861 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 56.279 69.935 15.158 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 56.380 68.461 16.160 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 57.962 71.060 16.262 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 58.964 71.612 16.966 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 59.400 72.696 16.614 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 60.309 71.254 21.182 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 59.648 70.393 21.281 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 60.023 72.225 20.051 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 58.948 72.268 19.879 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 60.811 73.393 20.014 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 60.297 73.989 20.565 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 60.414 71.915 22.443 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 59.121 72.220 23.375 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 58.346 70.996 23.364 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 59.589 72.786 24.684 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 58.248 73.380 22.616 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 58.760 74.668 22.355 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 59.796 74.568 22.032 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 58.732 75.306 23.239 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 57.811 75.413 21.313 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 58.343 76.365 21.318 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 57.881 74.723 20.113 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 56.758 75.109 19.405 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 57.062 75.739 18.569 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 56.051 73.883 18.957 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 56.192 72.695 19.673 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 56.821 72.694 20.551 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 55.723 71.508 19.216 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 55.812 70.580 19.761 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 54.892 71.624 18.068 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 54.265 70.603 17.582 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 53.666 70.675 16.772 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 54.233 69.831 18.233 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 54.615 72.779 17.440 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 55.240 73.872 17.876 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 55.102 74.888 17.214 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 56.302 75.618 21.596 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 55.954 74.653 21.965 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 55.735 75.934 20.195 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 54.752 75.467 20.143 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 55.879 77.318 19.827 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 55.025 77.756 19.796 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 56.139 76.594 22.646 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 54.876 76.527 23.589 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 55.006 75.320 24.419 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 54.743 77.762 24.284 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 53.552 76.316 22.597 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 52.937 77.499 22.165 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 53.654 78.236 21.802 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 52.491 77.961 23.046 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 51.907 77.216 21.029 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 51.539 78.180 20.677 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 52.467 76.535 19.873 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 51.466 75.645 19.367 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 51.379 75.725 18.283 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 51.695 74.214 19.611 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 52.479 73.754 20.576 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 52.917 74.380 21.339 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 52.616 72.402 20.806 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 53.237 72.101 21.637 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 51.967 71.536 19.951 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 52.176 70.266 20.030 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 51.778 69.750 19.259 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 52.637 69.919 20.859 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 51.212 71.961 18.985 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 51.041 73.275 18.773 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 50.288 73.644 17.896 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 50.710 76.487 21.411 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 50.880 75.605 22.030 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 50.248 76.014 20.022 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 49.594 75.144 20.091 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 49.704 77.077 19.268 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 49.987 77.051 18.351 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 49.679 77.239 21.964 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 48.568 76.486 22.766 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 49.225 75.701 23.858 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 47.574 77.502 23.218 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 47.865 75.485 21.746 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 46.817 75.791 20.853 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 47.204 76.452 20.078 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 46.198 76.242 21.628 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 46.237 74.699 20.121 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 45.603 75.138 19.350 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 47.238 73.932 19.429 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 46.761 72.577 19.517 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 46.772 72.148 18.515 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 47.646 71.872 20.361 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 48.529 72.374 21.323 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 48.641 73.367 21.734 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 49.351 71.438 21.827 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 48.868 70.278 21.284 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 49.284 68.921 21.429 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 50.187 68.323 22.038 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 48.527 68.080 20.743 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 48.836 67.121 20.804 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 47.581 68.381 19.899 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 46.925 67.334 19.478 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 47.130 66.374 19.718 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 46.063 67.435 18.960 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 47.145 69.571 19.635 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 47.884 70.517 20.347 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 45.336 73.774 20.966 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 45.834 73.501 21.896 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 45.321 72.590 20.078 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 45.060 71.722 20.683 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 44.409 72.678 18.962 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 44.151 71.765 18.815 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 44.055 74.398 21.169 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 43.204 73.799 22.363 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 43.877 73.981 23.629 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 41.791 74.298 22.212 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 43.101 72.199 22.121 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 42.228 71.487 21.295 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 42.586 71.733 20.295 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 41.173 71.759 21.318 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 42.458 69.988 21.322 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 41.834 69.563 20.536 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 43.754 69.593 21.020 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 44.013 68.386 21.685 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 44.232 67.693 20.872 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 45.209 68.512 22.499 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 45.783 69.641 22.980 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 45.426 70.630 22.732 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 46.843 69.433 23.716 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 47.047 68.074 23.600 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 48.022 67.208 24.191 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 48.913 67.414 24.985 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 47.885 65.844 23.868 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 48.568 65.237 24.299 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 46.916 65.363 23.138 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 46.884 64.095 23.140 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 47.580 63.739 23.780 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 46.093 63.548 22.832 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 45.948 66.098 22.652 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 46.070 67.453 22.849 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 42.036 69.221 22.592 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 42.533 69.662 23.456 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 42.715 67.836 22.339 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 43.014 67.265 23.218 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 42.172 66.924 21.420 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 42.594 66.097 21.665 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 40.651 69.140 22.688 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 39.931 68.384 23.951 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 40.467 68.950 25.161 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 38.439 68.515 23.826 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 40.304 66.837 24.148 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 39.933 65.792 23.277 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 40.137 66.092 22.249 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 38.853 65.671 23.364 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 40.736 64.482 23.416 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 40.453 63.845 22.579 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 42.160 64.664 23.395 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 42.839 63.840 24.370 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 43.661 63.356 23.842 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 43.484 64.617 25.452 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 43.176 65.935 25.587 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 42.214 66.324 25.289 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 44.172 66.800 25.936 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 44.019 67.859 25.788 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 45.330 66.174 26.428 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 46.305 66.885 26.870 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 47.017 66.423 27.417 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 46.389 67.887 26.774 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 45.552 64.868 26.471 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 44.638 64.056 25.960 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 44.958 62.854 26.057 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 40.392 63.684 24.596 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 40.339 64.403 25.413 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 41.700 62.859 24.745 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 41.900 62.539 25.767 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 41.753 61.677 23.879 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 42.479 61.141 24.206 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 39.258 62.824 24.489 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 38.593 62.287 25.907 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 38.163 63.529 26.606 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 37.589 61.253 25.719 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 39.854 61.627 26.709 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 40.131 60.232 26.558 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 40.384 59.833 25.576 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 39.267 59.686 26.937 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 41.303 59.902 27.516 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 41.489 58.836 27.384 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 42.484 60.646 27.338 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 43.035 61.069 28.614 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 44.110 60.935 28.488 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 42.757 62.567 28.742 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 41.641 63.351 28.340 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 40.662 62.940 28.144 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 41.836 64.641 28.282 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 43.122 64.718 28.920 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 43.923 65.703 29.377 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 43.600 66.948 29.347 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 44.131 67.512 29.995 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 42.708 67.221 28.961 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 45.035 65.596 30.122 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 45.407 64.344 30.277 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 46.308 64.202 30.856 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 44.815 63.282 29.846 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 43.655 63.514 29.194 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 40.953 60.036 29.012 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 40.356 60.936 29.159 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 42.303 60.247 29.734 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 42.159 60.941 30.562 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 43.037 59.061 30.054 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 43.846 59.302 30.513 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 40.282 58.906 29.541 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 39.637 58.881 31.001 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 38.625 59.936 30.903 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 39.152 57.482 31.209 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 40.698 59.250 32.143 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 41.498 58.335 32.820 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 42.099 57.763 32.112 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 40.743 57.705 33.291 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 42.391 59.137 33.769 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 43.183 58.467 34.104 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 42.993 60.189 33.049 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 43.032 61.325 33.835 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 44.032 61.758 33.808 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 42.127 62.308 33.201 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 40.830 62.207 32.796 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 40.220 61.328 32.946 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 40.398 63.305 32.212 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 41.376 64.230 32.351 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 41.559 65.597 31.988 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 40.818 66.309 31.139 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 41.103 67.275 31.065 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 40.023 65.843 30.726 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 42.670 66.231 32.354 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 43.619 65.589 32.975 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 44.554 66.061 33.239 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 43.615 64.299 33.239 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 42.445 63.609 33.013 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 41.803 59.636 34.991 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 40.832 60.061 34.738 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 42.639 60.929 35.357 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 42.062 61.712 35.849 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 43.787 60.626 36.147 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 43.439 60.395 37.011 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 41.398 58.844 36.089 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 41.919 57.279 36.305 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 41.318 56.900 37.647 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 41.558 56.490 35.078 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 43.480 57.290 36.383 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 44.265 56.179 36.823 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 44.294 55.423 36.039 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 43.706 55.686 37.618 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 45.679 56.562 37.319 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 46.120 55.646 37.713 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 46.479 56.969 36.222 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 47.478 57.911 36.682 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 48.486 57.516 36.555 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 47.175 59.222 35.935 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 46.289 59.395 34.883 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 45.531 58.628 34.824 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 46.289 60.540 34.112 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 45.543 60.575 33.331 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 47.098 61.568 34.521 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 47.108 62.614 33.873 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 47.541 63.430 34.280 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 46.413 62.800 33.163 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 47.836 61.523 35.540 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 47.943 60.366 36.193 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 48.755 60.261 37.117 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 45.838 57.602 38.485 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 45.268 58.464 38.138 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 47.323 57.995 38.286 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 47.654 58.973 38.636 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 48.310 57.013 38.725 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 49.165 57.446 38.671 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 45.613 57.055 39.785 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 45.301 57.807 41.182 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 44.076 58.662 40.812 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 45.274 56.877 42.387 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 46.509 58.906 41.381 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 47.748 58.629 42.078 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 48.100 57.695 41.641 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 47.534 58.280 43.089 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 48.837 59.728 42.172 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 49.720 59.278 42.625 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 49.294 60.158 40.874 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 49.391 61.580 40.893 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 50.351 61.912 40.498 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 48.294 62.362 40.147 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 47.235 61.736 39.538 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 47.157 60.662 39.456 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 46.369 62.496 38.844 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 45.537 62.021 38.347 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 46.465 63.881 38.822 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 45.732 64.541 37.966 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 46.062 65.421 37.595 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 45.003 64.023 37.497 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 47.579 64.484 39.219 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 48.497 63.714 39.889 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 49.534 64.307 40.287 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 48.424 60.926 42.915 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 47.462 61.322 42.591 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 49.423 61.944 42.398 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 49.127 62.956 42.675 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 50.818 61.723 42.802 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 51.351 62.454 42.480 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 48.481 60.783 44.364 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 47.421 61.659 45.242 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 46.101 61.563 44.614 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 47.547 61.156 46.596 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 48.032 63.181 45.158 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 49.240 63.557 45.871 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 50.074 62.943 45.531 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 49.125 63.197 46.893 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 49.608 65.066 45.648 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 50.584 65.393 46.006 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 49.546 65.155 44.194 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 49.032 66.413 43.798 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 49.690 66.924 43.094 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 47.672 66.253 43.214 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 47.067 65.038 42.903 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 47.455 64.085 43.230 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 46.107 65.132 41.967 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 46.118 66.531 41.663 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 45.534 67.363 40.682 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 44.857 66.960 39.663 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 44.461 67.624 39.013 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 45.034 65.987 39.462 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 45.934 68.606 40.565 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 46.783 69.164 41.447 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 47.165 70.164 41.309 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 47.438 68.504 42.367 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 47.014 67.202 42.468 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 48.603 66.047 46.112 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 47.610 65.608 46.016 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 48.882 67.160 45.164 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 48.087 67.906 45.149 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 50.067 67.919 45.471 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 50.461 67.587 46.281 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 48.819 66.514 47.419 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 47.689 67.077 48.344 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 46.588 66.088 48.412 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 48.303 67.656 49.542 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 47.239 68.388 47.509 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 45.998 68.298 46.826 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 45.336 67.832 47.556 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 46.182 67.614 45.998 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 45.435 69.661 46.391 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 45.856 70.586 46.784 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 45.498 69.744 45.024 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 44.289 70.068 44.555 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 44.513 70.860 43.840 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 43.718 68.982 43.749 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 43.754 67.584 44.034 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 44.190 67.245 44.962 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 43.243 66.868 43.045 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 42.687 67.797 42.224 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 41.952 67.648 41.043 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 41.605 66.689 40.305 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 41.500 68.814 40.545 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 40.962 68.755 39.692 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 41.703 69.985 41.037 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 41.269 70.977 40.411 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 40.751 70.946 39.544 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 41.775 71.815 40.658 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 42.499 70.261 42.122 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 42.936 69.126 42.677 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 43.954 69.800 46.792 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 43.471 68.835 46.642 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 43.361 70.618 45.615 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 42.340 70.256 45.497 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 43.457 72.015 45.868 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 42.754 72.547 45.487 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 43.681 70.291 48.125 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 43.087 69.397 49.248 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 43.738 68.024 49.219 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 43.105 70.167 50.503 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 41.556 69.219 48.825 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 40.506 68.524 49.486 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 40.491 68.771 50.548 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 40.831 67.497 49.321 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 39.145 68.832 48.771 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 38.481 67.977 48.900 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 38.526 69.900 49.353 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 38.153 70.967 48.518 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 37.148 71.275 48.807 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 39.085 72.072 48.535 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 40.245 72.224 49.237 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 40.742 71.392 49.714 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 40.729 73.423 49.309 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 39.766 74.180 48.583 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 39.544 75.522 48.282 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 40.127 76.536 48.891 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 39.810 77.451 48.606 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 40.958 76.329 49.428 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 38.617 75.970 47.402 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 37.824 74.997 46.885 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 37.120 75.394 46.169 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 37.752 73.704 47.157 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 38.792 73.349 48.025 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 39.161 69.024 47.225 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 40.074 69.519 46.893 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 38.138 70.220 47.147 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 38.349 70.951 46.367 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 36.821 69.651 47.013 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 37.067 68.859 46.529 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 38.819 67.890 46.434 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 39.335 67.828 44.826 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 40.723 68.299 44.771 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 39.088 66.421 44.550 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 38.290 68.702 43.991 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 38.679 69.447 42.778 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 38.578 68.829 41.886 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 39.739 69.667 42.902 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 37.709 70.612 42.750 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 36.678 70.257 42.728 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 37.864 71.357 43.939 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 37.877 72.783 43.627 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 37.027 73.025 44.265 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 39.199 73.301 44.145 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 40.289 72.660 44.706 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 40.361 71.583 44.681 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 41.232 73.470 45.213 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 40.772 74.716 44.830 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 41.061 76.113 45.000 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 42.143 76.705 45.578 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 42.176 77.664 45.264 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 42.977 76.183 45.807 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 40.422 77.134 44.463 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 39.276 76.857 43.790 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 38.759 77.721 43.400 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 38.772 75.661 43.676 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 39.554 74.663 44.154 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 38.125 71.564 41.603 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 39.208 71.558 41.481 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 37.622 72.902 42.141 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 38.176 73.751 41.742 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 36.245 73.039 41.883 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 35.994 72.467 41.154 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 37.428 71.200 40.369 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 38.015 71.867 39.018 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 39.107 70.981 38.658 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 36.913 71.861 38.030 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 38.479 73.430 39.155 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 37.875 74.502 38.598 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 36.857 74.458 38.985 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 37.879 74.431 37.510 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 38.525 75.834 39.041 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 37.865 76.589 38.614 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 38.781 76.149 40.450 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 40.077 76.634 40.637 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 40.196 77.395 41.408 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 40.969 75.564 41.127 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 40.746 74.224 41.124 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 39.848 73.689 40.854 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 41.862 73.546 41.452 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 42.729 74.573 41.771 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 44.019 74.619 42.379 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 44.623 73.522 42.744 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 45.614 73.489 42.933 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 44.109 72.653 42.765 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 44.860 75.677 42.239 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 44.313 76.744 41.774 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 44.971 77.596 41.692 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 43.024 76.972 41.316 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 42.301 75.800 41.386 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 39.893 76.079 38.432 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 40.593 75.244 38.470 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 40.435 77.255 39.283 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 41.484 77.418 39.034 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 39.792 78.560 39.117 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 39.951 78.796 38.200 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 40.013 76.535 37.033 1.00 0.00 SBOX O ATOM 1502 P URA A 54 40.753 75.775 35.837 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 40.270 74.365 35.824 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 40.608 76.585 34.667 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 42.347 75.643 36.254 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 43.194 76.702 36.506 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 42.609 77.463 37.024 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 43.630 77.006 35.555 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 44.241 76.270 37.512 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 44.836 77.119 37.849 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 43.820 75.471 38.584 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 44.859 74.509 38.873 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 45.283 74.549 39.877 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 44.335 73.137 38.711 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 43.239 72.904 37.951 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 42.546 73.642 37.576 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 42.926 71.558 37.752 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 42.123 71.207 37.120 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 43.568 70.443 38.334 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 43.424 69.241 38.048 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 44.514 70.801 39.275 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 45.065 70.069 39.698 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 44.981 72.114 39.390 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 45.961 72.215 40.112 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 45.203 75.374 36.737 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 44.539 74.605 36.342 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 46.006 74.793 37.899 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 46.488 73.863 37.599 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 46.879 75.685 38.476 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 47.658 75.129 38.554 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 45.900 75.980 35.641 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 46.673 75.144 34.599 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 45.803 74.150 33.903 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 47.480 76.113 33.785 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 47.768 74.285 35.444 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 48.882 74.957 36.014 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 48.632 75.933 36.431 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 49.634 75.149 35.249 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 49.647 74.194 37.071 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 50.229 74.919 37.641 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 48.848 73.597 38.129 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 49.272 72.265 38.498 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 49.369 72.053 39.563 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 48.584 71.101 37.899 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 47.562 71.104 36.926 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 47.105 71.963 36.458 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 46.994 69.917 36.739 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 47.763 69.125 37.596 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 47.787 67.703 37.759 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 47.074 66.908 37.111 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 48.626 67.198 38.728 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 48.618 66.231 39.018 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 49.423 68.041 39.437 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 50.232 67.392 40.264 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 50.161 66.387 40.200 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 50.865 67.938 40.832 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 49.614 69.310 39.228 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 48.718 69.849 38.301 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 50.494 73.011 36.581 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 50.058 72.504 35.720 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 50.684 72.155 37.869 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 51.049 71.194 37.506 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 51.486 72.635 38.915 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 51.505 71.981 39.617 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 51.757 73.483 36.194 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 52.700 72.590 35.190 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 51.900 72.372 33.991 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 54.000 73.265 35.070 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 52.894 71.243 36.014 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 53.950 71.079 36.964 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 53.591 71.750 37.745 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 54.945 71.387 36.640 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 53.983 69.680 37.602 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 54.657 69.713 38.458 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 52.682 69.118 37.979 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 52.718 67.663 37.887 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 52.550 67.259 38.885 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 51.646 67.317 36.950 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 51.060 68.080 36.000 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 51.314 69.091 35.717 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 50.078 67.480 35.324 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 50.047 66.186 35.864 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 49.242 65.118 35.567 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 48.262 64.983 34.801 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 49.502 63.971 36.315 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 48.910 63.171 36.144 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 50.536 63.843 37.157 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 50.658 62.656 37.682 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 49.989 61.919 37.511 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 51.527 62.477 38.166 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 51.335 64.926 37.544 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 51.036 66.079 36.841 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 54.367 68.738 36.483 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 53.746 68.824 35.592 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 54.138 67.397 37.239 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 54.062 66.627 36.472 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 55.021 67.040 38.321 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 55.885 66.713 38.062 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 55.709 68.869 36.117 1.00 0.00 SBOX O ATOM 1600 P URA A 57 56.165 68.692 34.620 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 55.417 69.687 33.865 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 57.624 68.798 34.549 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 55.645 67.237 34.344 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 54.826 66.818 33.247 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 55.346 66.975 32.302 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 53.820 67.237 33.241 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 54.628 65.363 33.632 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 55.397 65.108 34.361 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 53.366 65.154 34.223 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 52.999 63.804 34.016 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 52.878 63.296 34.973 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 51.645 63.717 33.321 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 51.116 64.776 32.623 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 51.539 65.762 32.748 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 50.018 64.640 31.815 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 49.589 65.505 31.333 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 49.415 63.365 31.583 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 48.424 63.088 30.880 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 49.930 62.369 32.301 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 49.459 61.511 32.053 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 51.034 62.454 33.125 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 51.525 61.434 33.637 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 54.719 64.250 32.595 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 54.207 64.432 31.650 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 54.136 63.026 33.309 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 53.717 62.274 32.641 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 54.966 62.358 34.365 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 55.678 61.784 34.072 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 56.066 64.072 32.369 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 56.508 63.507 30.926 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 56.467 64.644 30.002 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 57.846 62.844 31.048 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 55.395 62.513 30.463 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 55.445 61.156 30.814 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 55.540 61.090 31.898 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 56.299 60.644 30.372 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 54.152 60.420 30.258 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 54.239 59.378 30.566 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 52.837 60.960 30.636 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 51.939 60.904 29.576 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 51.074 60.293 29.832 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 51.606 62.302 29.162 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 52.222 63.491 29.466 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 53.177 63.598 29.959 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 51.466 64.512 29.133 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 50.265 63.991 28.540 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 49.070 64.597 28.092 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 48.807 65.823 28.050 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 48.097 63.688 27.641 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 47.258 64.116 27.278 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 48.244 62.414 27.633 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 47.223 61.767 27.108 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 46.412 62.323 26.879 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 47.209 60.769 27.263 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 49.336 61.760 28.110 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 50.385 62.646 28.523 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 54.186 60.349 28.747 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 54.475 61.335 28.382 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 52.709 60.103 28.484 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 52.514 60.431 27.462 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 52.243 58.817 28.665 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 52.903 58.152 28.456 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 54.956 59.274 28.210 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 55.425 59.394 26.687 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 56.091 60.709 26.539 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 56.168 58.092 26.290 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 54.058 59.502 25.849 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 53.239 58.333 25.641 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 53.278 57.674 26.509 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 53.744 57.776 24.852 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 51.828 58.691 25.177 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 51.164 57.865 25.433 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 51.214 59.805 25.799 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 50.403 60.549 24.920 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 49.360 60.534 25.235 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 50.809 62.002 24.848 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 52.122 62.408 25.042 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 52.901 61.675 25.189 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 52.464 63.661 25.013 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 53.512 63.896 25.120 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 51.478 64.607 24.772 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 51.716 65.840 24.588 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 50.994 66.421 24.187 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 52.589 66.185 24.962 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 50.278 64.242 24.408 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 49.894 62.928 24.494 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 48.703 62.602 24.392 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 51.764 59.025 23.663 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 52.568 59.716 23.408 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 50.394 59.746 23.593 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 50.491 60.350 22.691 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 49.185 58.971 23.522 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 48.708 59.350 22.780 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 51.943 57.926 22.823 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 52.208 58.157 21.230 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 53.457 58.975 21.157 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 52.181 56.823 20.593 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 50.998 58.922 20.539 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 49.566 58.481 20.290 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 49.172 57.988 21.180 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 49.693 57.965 19.339 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 48.546 59.585 19.906 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 47.539 59.175 19.825 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 48.542 60.644 20.882 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 48.065 61.832 20.293 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 47.105 62.150 20.700 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 49.080 62.790 20.569 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 50.413 62.588 20.872 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 50.788 61.575 20.905 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 51.251 63.668 21.120 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 52.275 63.442 21.381 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 50.635 64.900 20.981 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 51.346 65.935 21.118 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 50.922 66.849 21.042 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 52.346 65.848 21.228 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 49.437 65.202 20.632 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 48.634 64.144 20.370 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 47.451 64.382 20.025 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 48.968 60.354 18.668 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 50.023 60.615 18.749 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 48.122 61.640 18.778 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 48.655 62.387 18.189 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 46.798 61.473 18.309 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 46.931 60.879 17.566 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 48.662 59.633 17.521 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 49.357 59.982 16.150 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 48.798 61.211 15.659 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 50.837 59.859 16.216 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 48.843 58.896 15.094 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 48.856 57.544 15.361 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 48.385 57.330 16.321 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 49.865 57.140 15.445 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 48.169 56.710 14.303 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 47.212 57.213 14.159 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 48.855 56.886 13.038 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 48.708 55.600 12.423 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 48.177 55.642 11.472 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 50.066 54.957 12.356 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 51.216 55.084 13.167 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 51.152 55.708 14.046 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 52.229 54.347 12.730 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 51.748 53.613 11.657 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 52.327 52.707 10.743 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 53.653 52.485 10.607 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 54.093 51.831 9.976 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 54.197 52.892 11.354 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 51.632 52.188 9.784 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 50.313 52.567 9.698 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 49.702 52.061 8.965 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 49.638 53.382 10.497 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 50.451 53.976 11.433 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 47.944 55.272 14.663 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 48.866 54.834 15.045 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 47.720 54.811 13.213 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 47.813 53.726 13.174 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 46.423 55.285 12.758 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 46.055 55.849 13.442 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 46.808 55.168 15.488 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 46.639 53.922 16.395 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 47.871 53.986 17.191 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 45.245 54.079 16.968 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 46.671 52.596 15.527 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 45.623 52.047 14.722 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 45.098 52.865 14.228 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 44.885 51.518 15.325 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 46.019 50.916 13.758 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 45.168 50.781 13.090 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 46.998 51.315 12.854 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 48.085 50.384 12.697 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 48.117 50.202 11.623 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 49.414 50.713 13.306 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 49.810 51.582 14.299 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 49.059 52.253 14.691 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 51.077 51.724 14.504 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 51.656 50.840 13.508 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 52.921 50.375 13.179 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 54.077 50.665 13.637 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 54.844 50.222 13.151 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 54.142 51.542 14.133 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 53.029 49.591 12.115 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 52.004 49.075 11.412 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 52.167 48.345 10.633 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 50.745 49.378 11.635 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 50.624 50.247 12.713 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 46.594 49.646 14.375 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 47.121 49.805 15.316 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 47.594 49.044 13.232 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 48.396 48.421 13.628 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 46.813 48.496 12.176 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 46.941 47.552 12.290 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 45.569 48.726 14.596 1.00 0.00 SBOX O ATOM 1792 P URA A 63 45.639 47.440 15.442 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 44.348 46.727 15.555 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 46.765 46.652 14.993 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 46.056 47.900 16.883 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 45.193 48.711 17.614 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 44.169 48.678 17.242 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 45.600 49.717 17.512 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 45.116 48.288 19.128 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 44.355 48.934 19.566 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 44.523 47.004 19.239 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 45.509 46.139 19.877 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 45.132 46.029 20.894 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 45.494 44.775 19.321 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 45.870 44.525 18.000 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 46.225 45.407 17.487 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 45.869 43.273 17.486 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 46.195 42.999 16.493 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 45.308 42.185 18.242 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 45.177 40.987 17.954 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 44.819 42.613 19.456 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 44.362 41.921 20.032 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 44.925 43.792 20.054 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 44.404 43.994 21.165 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 46.314 48.319 20.107 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 47.086 49.054 19.882 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 46.757 46.984 19.835 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 47.078 47.016 18.794 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 47.819 46.424 20.664 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 47.996 45.630 20.153 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 45.809 48.379 21.467 1.00 0.00 SBOX O ATOM 1822 P URA A 64 46.223 49.629 22.319 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 45.815 50.827 21.607 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 45.791 49.503 23.706 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 47.734 49.444 22.480 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 48.621 50.512 22.323 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 48.587 51.160 23.199 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 48.266 51.089 21.469 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 50.092 49.933 22.417 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 50.809 50.682 22.080 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 50.452 49.488 23.740 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 51.535 48.592 23.635 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 52.444 49.145 23.873 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 51.472 47.350 24.555 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 50.261 47.117 25.189 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 49.341 47.670 25.067 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 50.147 45.965 25.931 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 49.178 45.709 26.332 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 51.279 45.053 26.017 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 51.425 44.165 26.832 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 52.445 45.456 25.440 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 53.179 44.765 25.496 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 52.607 46.483 24.599 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 53.611 46.638 23.990 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 50.384 48.767 21.576 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 49.602 48.043 21.806 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 51.711 48.299 22.170 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 51.732 47.213 22.076 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 52.916 48.995 21.806 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 52.753 49.366 20.935 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 50.406 48.916 20.136 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 50.840 50.177 19.418 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 49.866 51.260 19.609 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 52.263 50.374 19.724 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 50.567 49.631 17.976 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 49.310 49.331 17.478 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 48.844 50.242 17.100 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 48.717 48.919 18.295 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 49.420 48.220 16.365 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 48.432 48.061 15.933 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 50.289 48.615 15.371 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 50.864 47.459 14.804 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 50.448 47.349 13.802 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 52.394 47.567 14.853 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 53.030 48.249 15.840 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 52.582 48.855 16.614 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 54.375 48.228 15.892 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 54.958 48.549 16.742 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 55.034 47.351 15.010 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 56.320 47.262 15.102 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 56.793 46.547 14.568 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 56.713 47.843 15.829 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 54.470 46.633 14.108 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 53.141 46.662 13.993 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 52.588 46.003 13.078 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 49.906 46.858 16.934 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 50.736 47.143 17.581 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 50.409 46.238 15.591 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 51.147 45.449 15.737 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 49.257 45.695 14.865 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 48.395 46.012 15.144 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 49.024 45.984 17.565 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 49.620 44.917 18.566 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 50.913 45.416 19.148 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 48.611 44.255 19.358 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 50.082 43.888 17.534 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 49.059 43.028 16.926 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 48.365 43.633 16.342 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 48.450 42.495 17.657 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 49.703 42.079 15.966 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 48.892 41.533 15.486 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 50.566 42.593 14.919 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 51.740 41.838 14.886 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 52.027 41.602 13.861 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 53.013 42.411 15.464 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 53.085 43.484 16.266 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 52.239 43.854 16.826 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 54.265 44.028 16.559 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 54.334 44.853 17.252 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 55.451 43.574 15.940 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 56.641 44.141 16.073 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 57.435 43.715 15.615 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 56.668 45.048 16.515 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 55.394 42.599 15.130 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 54.241 41.913 14.969 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 54.348 40.849 14.420 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 50.497 41.029 16.753 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 51.153 41.453 17.514 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 51.422 40.573 15.640 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 52.302 40.050 16.014 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 50.711 39.823 14.653 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 49.950 39.525 15.157 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 49.734 39.993 17.207 1.00 0.00 SBOX O ATOM 1914 P URA A 67 50.099 39.199 18.555 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 50.175 40.131 19.692 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 49.101 38.136 18.658 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 51.568 38.532 18.372 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 51.814 37.521 17.382 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 51.384 37.670 16.392 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 51.326 36.611 17.729 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 53.275 37.240 17.214 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 53.316 36.507 16.408 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 53.894 38.395 16.655 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 55.210 38.585 17.251 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 55.949 38.550 16.450 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 55.483 39.904 17.807 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 54.553 40.484 18.559 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 53.587 40.055 18.783 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 54.860 41.646 19.132 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 54.226 42.055 19.905 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 56.117 42.352 18.934 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 56.486 43.369 19.436 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 56.995 41.664 18.132 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 57.826 42.170 17.861 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 56.797 40.407 17.683 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 57.765 39.710 17.356 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 54.071 36.769 18.354 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 53.516 37.115 19.226 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 55.470 37.432 18.244 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 55.799 37.791 19.219 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 56.476 36.567 17.824 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 56.343 35.808 18.396 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 54.142 35.318 18.221 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 54.561 34.352 19.384 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 53.857 34.873 20.563 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 54.283 32.999 18.945 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 56.067 34.518 19.570 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 57.005 33.414 19.454 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 56.833 32.821 18.556 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 56.663 32.648 20.150 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 58.534 33.721 19.535 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 59.069 32.889 19.077 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 58.866 34.839 18.735 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 59.878 35.602 19.420 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 60.642 35.796 18.667 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 59.284 36.826 19.934 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 57.963 37.001 20.345 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 57.358 36.116 20.475 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 57.639 38.191 20.738 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 58.808 38.903 20.510 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 59.106 40.280 20.748 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 58.421 41.246 20.955 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 60.429 40.584 20.501 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 60.572 41.583 20.508 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 61.315 39.714 20.143 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 62.510 40.139 20.162 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 62.631 41.011 20.657 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 63.312 39.526 20.118 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 61.123 38.399 19.924 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 59.825 38.052 20.093 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 59.209 33.790 20.912 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 58.576 34.510 21.429 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 60.425 34.681 20.495 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 60.713 35.219 21.399 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 61.480 33.930 19.838 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 61.609 33.136 20.362 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 59.448 32.568 21.687 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 60.174 31.300 21.134 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 59.324 30.721 20.099 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 61.568 31.671 20.925 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 60.081 30.319 22.434 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 60.869 30.519 23.627 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 61.525 31.389 23.597 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 61.502 29.650 23.802 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 60.003 30.514 24.908 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 60.578 30.191 25.775 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 59.232 31.683 25.156 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 58.025 31.307 25.873 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 58.006 31.859 26.812 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 56.774 31.708 25.111 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 56.813 31.930 23.735 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 57.746 31.863 23.195 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 55.754 32.382 23.114 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 55.860 32.598 22.062 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 54.561 32.623 23.849 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 53.605 33.351 23.317 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 52.856 33.698 23.900 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 53.799 33.656 22.374 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 54.479 32.406 25.140 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 55.541 31.872 25.750 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 55.465 31.523 26.915 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 58.975 29.374 24.868 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 58.462 29.511 23.917 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 58.008 29.785 26.012 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 56.992 29.417 25.866 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 58.580 29.469 27.260 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 57.909 29.649 27.922 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 59.463 28.036 25.124 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 58.651 26.880 24.528 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 58.563 27.143 23.063 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 59.405 25.694 24.956 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 57.248 26.760 25.206 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 57.078 26.291 26.504 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 57.881 26.588 27.178 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 57.155 25.204 26.535 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 55.715 26.664 27.148 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 55.654 26.280 28.166 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 55.344 28.038 27.024 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 53.974 28.085 26.961 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 53.488 28.586 27.798 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 53.502 28.792 25.746 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 54.107 28.987 24.544 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 55.082 28.594 24.297 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 53.346 29.594 23.607 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 52.242 29.948 24.341 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 51.058 30.596 24.114 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 50.657 31.069 22.973 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 49.726 31.455 22.914 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 51.250 31.052 22.156 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 50.090 30.576 24.974 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 50.186 29.965 26.097 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 49.305 29.946 26.722 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 51.282 29.402 26.562 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 52.294 29.428 25.620 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 54.600 25.847 26.474 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 54.726 25.915 25.393 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 53.315 26.705 26.954 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 52.463 26.492 26.309 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 53.146 26.383 28.296 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 52.321 25.903 28.404 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 54.517 24.559 27.064 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 53.433 23.430 26.599 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 53.482 23.327 25.107 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 53.861 22.168 27.250 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 51.999 23.902 27.073 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 51.499 23.720 28.373 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 52.196 24.118 29.111 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 51.441 22.647 28.557 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 50.106 24.431 28.264 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 49.679 24.407 29.267 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 50.156 25.817 27.751 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 48.842 26.054 27.169 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 48.300 26.769 27.789 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 48.861 26.600 25.770 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 49.947 26.528 24.901 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 50.771 25.847 25.053 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 49.776 27.324 23.873 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 48.471 27.763 24.021 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 47.559 28.631 23.214 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 47.819 29.196 22.146 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 46.264 28.723 23.646 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 45.604 29.204 23.053 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 45.905 28.141 24.725 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 44.616 28.314 24.974 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 44.057 28.744 24.251 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 44.243 27.853 25.791 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 46.680 27.466 25.602 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 47.888 27.248 25.129 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 49.114 23.678 27.422 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 49.614 23.495 26.471 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 48.001 24.792 27.301 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 47.459 24.642 26.367 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 47.065 24.891 28.417 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 46.443 25.573 28.154 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 48.603 22.461 27.891 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 48.233 21.391 26.837 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 49.339 21.304 25.883 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 47.804 20.150 27.548 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 46.966 22.065 26.186 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 45.702 22.032 26.770 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 45.814 22.601 27.692 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 45.423 21.004 27.003 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 44.586 22.752 26.097 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 43.639 22.631 26.621 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 44.782 24.153 25.794 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 44.156 24.454 24.587 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 43.409 25.239 24.709 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 45.226 25.053 23.680 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 46.517 24.616 23.662 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 46.817 23.972 24.475 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 47.411 25.074 22.730 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 48.393 24.647 22.592 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 46.945 25.940 21.723 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 47.720 26.428 20.746 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 47.266 27.097 20.142 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 48.713 26.556 20.884 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 45.698 26.373 21.706 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 44.820 25.888 22.640 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 43.746 26.301 22.492 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 44.337 22.169 24.699 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 45.270 22.103 24.140 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 43.423 23.238 24.123 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 43.482 23.154 23.038 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 42.050 23.293 24.623 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 41.811 24.213 24.487 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 43.771 20.842 24.729 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 43.942 19.919 23.428 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 45.341 19.853 22.979 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 43.217 18.653 23.673 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 43.120 20.691 22.266 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 41.727 20.879 22.381 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 41.530 21.370 23.334 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 41.177 19.940 22.444 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 41.217 21.786 21.262 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 40.139 21.863 21.405 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 41.751 23.130 21.352 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 42.049 23.654 20.037 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 41.716 24.692 20.072 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 43.481 23.674 19.743 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 44.540 23.023 20.242 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 44.472 22.262 21.005 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 45.713 23.361 19.807 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 45.428 24.236 18.729 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 46.230 25.010 17.814 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 47.426 25.043 17.623 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 45.478 25.664 16.838 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 45.861 26.261 16.118 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 44.161 25.552 16.738 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 43.696 26.313 15.855 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 44.330 26.843 15.275 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 42.722 26.274 15.589 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 43.336 24.943 17.601 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 44.031 24.314 18.605 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 41.472 21.338 19.815 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 42.508 21.014 19.718 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 41.365 22.631 19.028 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 41.957 22.549 18.116 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 39.992 22.927 18.775 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 40.056 23.863 18.572 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 40.697 20.216 19.418 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 41.349 19.011 18.771 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 42.546 18.562 19.519 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 40.276 18.023 18.550 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 41.845 19.463 17.304 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 43.074 20.202 17.065 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 43.928 19.615 17.404 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 43.219 21.179 17.527 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 43.554 20.418 15.627 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 42.651 20.556 15.033 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 44.205 21.626 15.449 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 45.125 21.507 14.424 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 44.881 22.262 13.676 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 46.488 21.777 15.059 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 46.965 21.251 16.264 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 46.432 20.533 16.870 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 48.244 21.626 16.574 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 48.490 22.528 15.505 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 49.630 23.361 15.304 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 50.621 23.414 16.050 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 49.524 24.230 14.275 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 50.293 24.869 14.137 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 48.501 24.187 13.424 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 48.458 25.114 12.530 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 49.300 25.669 12.470 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 47.740 24.983 11.831 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 47.403 23.444 13.466 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 47.492 22.637 14.586 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 44.357 19.340 14.872 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 45.117 18.911 15.526 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 45.125 20.109 13.788 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 46.097 19.638 13.644 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 44.378 20.221 12.530 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 44.761 20.803 11.871 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 43.581 18.235 14.516 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 44.176 16.783 14.391 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 44.850 16.449 15.660 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 43.007 15.999 14.033 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 45.237 16.961 13.173 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 46.566 16.408 13.165 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 46.518 15.348 13.414 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 47.049 16.800 14.060 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 47.409 16.582 11.921 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 48.272 15.920 11.988 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 46.601 16.270 10.834 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 46.665 17.310 9.867 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 46.956 16.903 8.899 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 45.383 18.100 9.625 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 44.156 17.955 10.204 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 43.916 17.593 11.193 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 43.141 18.315 9.447 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 43.706 18.864 8.312 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 43.207 19.390 7.113 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 41.923 19.530 6.809 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 41.740 20.032 5.952 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 41.221 19.268 7.487 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 44.077 19.970 6.285 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 45.378 19.794 6.445 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 45.971 20.187 5.633 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 45.950 19.160 7.424 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 45.061 18.785 8.383 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 47.943 18.023 11.776 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 47.396 18.773 12.348 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 47.859 18.153 10.211 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 47.849 19.183 9.854 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 48.888 17.375 9.640 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 49.513 17.151 10.333 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 49.291 18.141 12.136 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 49.747 19.539 12.663 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 48.796 19.774 13.843 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 51.174 19.268 12.910 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 49.529 20.698 11.574 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 50.545 21.054 10.651 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 50.955 20.119 10.268 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 51.277 21.627 11.219 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 50.155 21.825 9.347 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 50.967 21.623 8.649 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 48.934 21.306 8.829 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 48.120 22.294 8.369 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 47.946 22.197 7.297 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 46.863 22.335 9.171 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 46.617 22.084 10.501 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 47.428 22.049 11.213 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 45.346 22.007 10.786 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 44.673 22.217 9.544 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 43.368 22.321 9.070 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 42.236 22.174 9.684 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 41.438 22.256 9.070 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 42.236 21.800 10.622 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 43.109 22.643 7.862 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 44.060 22.886 7.028 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 43.702 23.057 6.023 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 45.450 22.813 7.295 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 45.628 22.510 8.600 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 49.905 23.315 9.653 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 49.412 23.440 10.617 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 48.884 23.630 8.510 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 48.204 24.478 8.592 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 49.448 23.693 7.209 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 50.206 24.282 7.221 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 51.152 23.963 9.527 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 51.427 25.394 10.185 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 50.942 25.390 11.548 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 52.863 25.630 9.957 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 50.557 26.532 9.401 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 50.991 27.171 8.240 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 51.558 26.450 7.651 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 51.757 27.926 8.416 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 49.764 27.754 7.641 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 50.130 28.129 6.684 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 48.746 26.773 7.444 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 47.432 27.402 7.270 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 46.939 27.198 6.320 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 46.597 26.907 8.389 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 47.049 26.536 9.615 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 48.063 26.521 9.988 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 46.138 26.057 10.395 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 44.908 26.295 9.660 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 43.593 25.866 9.747 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 43.033 25.286 10.842 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 42.117 24.894 10.673 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 43.512 25.026 11.692 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 42.686 26.018 8.843 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 43.076 26.658 7.715 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 42.305 26.856 6.985 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 44.287 27.079 7.404 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 45.193 26.797 8.404 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 49.013 28.932 8.375 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 48.881 28.630 9.414 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 47.642 28.905 7.539 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 46.843 29.344 8.137 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 47.663 29.250 6.175 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 48.104 30.100 6.113 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 49.595 30.186 8.305 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 49.774 31.000 9.577 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 50.589 30.206 10.601 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 50.200 32.289 9.133 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 48.360 31.207 10.349 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 47.135 31.745 9.736 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 47.310 31.530 8.682 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 47.006 32.827 9.773 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 45.908 31.045 10.304 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 45.020 31.357 9.755 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 46.011 29.640 10.362 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 45.324 29.143 11.529 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 44.466 28.494 11.356 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 46.242 28.476 12.467 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 47.595 28.749 12.475 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 47.987 29.286 11.624 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 48.336 28.294 13.491 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 49.385 28.522 13.379 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 47.769 27.649 14.583 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 48.526 27.124 15.491 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 48.090 26.668 16.279 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 49.473 27.455 15.608 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 46.486 27.241 14.580 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 45.665 27.692 13.551 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 44.470 27.471 13.528 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 45.647 31.477 11.724 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 46.573 31.500 12.298 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 44.779 30.404 12.183 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 44.854 30.324 13.268 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 43.375 30.537 11.737 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 43.109 31.402 12.057 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 45.011 32.725 11.633 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 44.652 33.564 12.942 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 45.863 33.548 13.812 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 44.129 34.800 12.481 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 43.527 32.724 13.668 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 42.104 32.857 13.436 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 41.808 32.540 12.435 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 41.869 33.918 13.520 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 41.341 32.105 14.600 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 40.322 32.338 14.293 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 41.606 30.731 14.660 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 41.679 30.349 16.033 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 41.057 29.458 16.126 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 43.028 29.874 16.513 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 44.225 30.428 16.189 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 44.286 31.026 15.291 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 45.197 29.893 16.792 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 44.603 29.096 17.773 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 45.137 28.293 18.792 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 46.360 28.157 19.123 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 44.267 27.714 19.678 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 44.510 27.150 20.480 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 42.982 27.827 19.451 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 42.307 27.481 20.484 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 42.737 27.118 21.323 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 41.399 27.919 20.422 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 42.345 28.566 18.520 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 43.250 29.150 17.612 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 41.600 32.710 15.960 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 42.646 32.996 16.079 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 41.108 31.514 16.795 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 41.530 31.631 17.793 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 39.663 31.308 16.861 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 39.460 30.497 17.334 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 40.824 33.866 16.108 1.00 0.00 SBOX O ATOM 2339 P URA A 80 41.257 35.048 17.099 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 42.493 35.600 16.506 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 40.114 35.991 17.235 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 41.563 34.253 18.478 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 40.502 33.935 19.333 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 39.667 33.494 18.788 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 40.108 34.891 19.678 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 40.857 33.005 20.456 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 39.932 32.656 20.916 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 41.636 31.888 20.053 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 42.718 31.655 20.951 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 42.528 30.736 21.506 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 44.058 31.690 20.337 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 44.431 32.690 19.386 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 43.638 33.244 18.906 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 45.753 32.831 19.128 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 46.056 33.551 18.381 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 46.768 31.970 19.585 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 47.921 32.033 19.292 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 46.339 31.053 20.486 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 47.046 30.584 21.034 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 45.056 30.841 20.826 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 44.813 29.977 21.668 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 41.673 33.834 21.488 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 42.246 34.627 21.007 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 42.590 32.753 22.075 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 43.537 33.198 22.379 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 42.095 32.115 23.259 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 41.978 32.811 23.910 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 40.890 34.435 22.485 1.00 0.00 SBOX O ATOM 2369 P URA A 81 41.471 35.479 23.601 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 42.738 36.088 22.987 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 40.309 36.298 23.875 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 41.988 34.604 24.882 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 41.151 34.007 25.904 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 40.489 33.324 25.371 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 40.697 34.788 26.513 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 42.059 33.153 26.787 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 41.476 32.508 27.444 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 42.840 32.305 25.910 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 44.105 31.939 26.443 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 44.092 30.906 26.792 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 45.293 32.213 25.605 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 45.144 33.132 24.594 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 44.255 33.737 24.503 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 46.095 33.226 23.592 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 45.909 34.001 22.863 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 47.349 32.480 23.640 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 48.240 32.550 22.777 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 47.443 31.636 24.712 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 48.355 31.230 24.870 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 46.475 31.461 25.697 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 46.728 30.732 26.660 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 43.187 33.891 27.619 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 43.679 34.684 27.055 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 44.174 32.743 27.786 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 45.157 33.184 27.952 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 43.870 31.782 28.780 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 43.908 32.270 29.605 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 42.779 34.344 28.962 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 43.411 35.575 29.683 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 43.685 36.679 28.810 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 42.673 35.735 30.967 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 44.868 34.926 30.108 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 44.969 33.999 31.171 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 44.165 33.263 31.195 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 44.898 34.380 32.190 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 46.301 33.240 31.020 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 46.321 32.426 31.745 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 46.573 32.710 29.720 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 47.993 32.466 29.761 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 48.266 31.413 29.838 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 48.436 32.967 28.526 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 47.857 33.859 27.676 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 46.883 34.298 27.832 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 48.508 34.082 26.628 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 49.751 33.444 26.818 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 50.987 33.409 26.080 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 51.266 33.792 24.914 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 52.096 32.922 26.819 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 52.920 32.776 26.253 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 51.995 32.304 28.013 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 53.065 31.948 28.661 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 53.907 31.775 28.131 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 52.804 31.589 29.568 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 50.819 32.234 28.673 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 49.748 32.792 28.038 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 47.448 34.157 31.426 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 47.269 35.063 30.846 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 48.636 33.304 30.921 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 49.478 33.892 30.556 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 49.034 32.381 31.819 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 49.541 32.850 32.486 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 47.423 34.379 32.816 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 48.464 35.302 33.538 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 48.457 36.687 32.912 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 48.155 35.244 34.957 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 49.924 34.671 33.266 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 51.028 35.544 33.210 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 51.441 35.797 34.187 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 50.867 36.421 32.583 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 52.233 34.844 32.568 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 52.558 33.995 33.170 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 51.965 34.462 31.247 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 53.194 34.534 30.498 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 53.509 33.499 30.362 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 52.994 35.201 29.129 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 51.850 35.668 28.561 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 50.905 35.555 29.071 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 51.967 36.159 27.381 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 53.363 35.987 27.064 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 54.271 36.249 26.007 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 53.972 36.837 24.874 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 54.731 36.900 24.210 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 53.062 37.272 24.836 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 55.525 35.830 26.110 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 56.024 35.320 27.207 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 57.069 35.090 27.357 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 55.278 35.127 28.339 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 53.930 35.486 28.174 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 53.292 35.865 32.395 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 52.949 36.762 31.879 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 54.217 35.177 31.392 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 54.723 35.956 30.822 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 55.124 34.225 31.931 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 55.897 34.172 31.364 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 54.087 36.087 33.563 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 54.860 37.459 33.873 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 53.934 38.604 33.588 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 55.399 37.393 35.244 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 56.170 37.540 32.943 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 57.213 36.530 33.053 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 56.797 35.539 33.233 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 57.760 36.608 33.993 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 58.141 36.622 31.832 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 58.935 35.884 31.944 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 57.386 36.223 30.668 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 57.918 36.976 29.554 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 58.255 36.340 28.735 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 56.881 37.866 29.106 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 55.725 38.140 29.684 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 55.525 37.848 30.704 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 54.897 38.737 28.845 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 55.636 39.030 27.643 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 55.557 39.645 26.351 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 54.454 40.116 25.783 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 54.571 40.559 24.883 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 53.552 39.855 26.156 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 56.601 39.674 25.541 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 57.689 39.052 25.922 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 58.553 39.229 25.298 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 57.907 38.410 27.063 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 56.857 38.424 27.849 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 58.829 37.926 31.525 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 58.091 38.702 31.726 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 59.145 37.796 30.002 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 59.095 38.807 29.596 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 60.324 37.062 29.628 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 60.424 37.203 28.684 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 59.998 38.263 32.271 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 60.432 39.832 32.548 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 59.300 40.391 33.358 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 61.780 40.051 33.087 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 60.223 40.619 31.149 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 61.365 40.654 30.278 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 61.610 39.607 30.101 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 62.206 41.050 30.848 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 61.204 41.356 28.938 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 62.053 41.107 28.302 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 60.020 40.817 28.335 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 59.289 41.823 27.613 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 59.108 41.485 26.593 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 57.904 41.879 28.145 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 57.404 41.461 29.395 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 58.064 41.036 30.137 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 56.142 41.850 29.604 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 55.892 42.581 28.403 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 54.787 43.301 27.854 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 53.612 43.483 28.462 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 52.873 43.835 27.870 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 53.425 43.156 29.399 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 54.752 43.821 26.666 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 55.916 43.822 25.985 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 55.992 44.172 24.966 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 56.985 43.113 26.319 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 56.915 42.599 27.538 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 60.943 42.844 29.000 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 60.360 43.069 29.893 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 60.070 43.176 27.745 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 59.454 44.048 27.963 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 60.689 43.282 26.458 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 60.359 44.068 26.018 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 62.235 43.465 28.891 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 62.506 44.817 29.604 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 61.887 44.671 30.937 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 63.936 45.064 29.512 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 61.639 45.926 28.895 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 61.912 46.295 27.473 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 62.227 45.370 26.988 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 62.774 46.936 27.287 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 60.736 46.915 26.694 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 61.046 47.289 25.718 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 59.676 45.975 26.501 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 58.451 46.741 26.483 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 57.840 46.511 25.610 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 57.597 46.405 27.615 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 57.962 45.852 28.839 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 58.997 45.684 29.094 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 56.976 45.447 29.579 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 55.852 45.996 28.950 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 54.503 46.134 29.396 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 54.061 45.781 30.459 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 53.692 46.863 28.530 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 52.916 47.311 28.996 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 54.200 47.459 27.457 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 53.300 48.190 26.906 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 52.372 48.267 27.296 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 53.560 48.678 26.061 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 55.466 47.445 26.993 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 56.261 46.672 27.799 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 60.130 48.154 27.338 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 59.851 47.921 28.366 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 58.779 48.280 26.596 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 58.112 48.788 27.292 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 58.752 48.752 25.272 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 57.920 48.485 24.874 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 60.937 49.299 27.378 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 60.623 50.478 28.356 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 60.693 49.792 29.685 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 61.572 51.612 28.208 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 59.142 51.110 28.152 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 58.911 51.934 27.069 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 59.166 51.430 26.137 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 59.493 52.849 27.176 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 57.378 52.262 27.073 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 57.240 52.903 26.202 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 56.491 51.181 27.059 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 55.329 51.549 27.915 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 54.393 51.356 27.391 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 55.219 50.611 29.077 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 56.217 49.831 29.600 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 57.210 49.837 29.175 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 55.857 49.021 30.583 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 54.464 49.395 30.745 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 53.363 49.158 31.642 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 53.318 48.219 32.549 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 52.574 48.442 33.195 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 54.177 47.727 32.751 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 52.214 49.828 31.588 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 52.069 50.728 30.594 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 51.116 51.224 30.491 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 52.998 51.149 29.782 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 54.149 50.403 29.887 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 57.053 53.012 28.425 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 57.256 52.335 29.254 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 55.503 53.030 28.333 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 55.120 53.193 29.340 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 54.989 54.029 27.390 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 54.197 53.735 26.935 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 57.824 54.152 28.423 1.00 0.00 SBOX O ATOM 2599 P URA A 88 58.330 54.750 29.775 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 58.908 53.756 30.584 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 59.148 55.903 29.467 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 57.118 55.363 30.534 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 56.293 56.239 29.859 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 56.173 55.834 28.854 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 56.700 57.243 29.981 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 54.959 56.263 30.497 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 54.347 57.021 30.010 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 54.212 55.013 30.388 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 53.551 54.856 31.625 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 52.476 54.745 31.481 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 54.060 53.691 32.430 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 55.273 53.101 32.152 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 55.960 53.497 31.419 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 55.651 51.925 32.843 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 56.575 51.385 32.698 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 54.791 51.445 33.964 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 54.975 50.408 34.587 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 53.589 51.996 34.131 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 52.946 51.617 34.812 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 53.285 53.183 33.462 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 52.197 53.658 33.697 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 55.088 56.619 31.990 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 55.834 55.963 32.439 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 53.746 56.137 32.461 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 53.628 55.938 33.527 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 52.777 57.173 32.023 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 53.076 57.966 32.474 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 55.513 58.004 32.289 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 55.820 58.490 33.753 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 56.861 57.635 34.270 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 56.188 59.932 33.722 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 54.515 58.371 34.704 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 53.466 59.276 34.626 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 53.048 59.315 33.620 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 53.692 60.267 35.018 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 52.388 58.793 35.579 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 51.466 59.375 35.579 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 51.976 57.452 35.409 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 51.791 56.786 36.638 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 50.769 56.422 36.735 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 52.743 55.624 36.619 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 53.998 55.452 36.192 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 54.565 56.240 35.720 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 54.512 54.305 36.492 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 53.595 53.801 37.420 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 53.521 52.614 38.205 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 54.318 51.643 38.129 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 52.524 52.562 39.137 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 52.649 51.925 39.911 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 51.551 53.512 39.177 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 50.647 53.317 40.095 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 50.674 52.531 40.729 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 49.872 53.965 40.090 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 51.413 54.482 38.280 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 52.500 54.607 37.409 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 52.868 58.838 37.032 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 53.933 58.610 36.996 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 51.977 57.845 37.651 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 52.514 57.500 38.534 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 50.658 58.262 37.956 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 50.753 59.214 38.041 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 52.583 60.072 37.623 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 53.658 60.785 38.623 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 55.000 60.813 37.984 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 53.073 62.047 39.117 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 53.606 59.846 39.813 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 52.417 59.696 40.574 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 51.556 59.628 39.909 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 52.297 60.559 41.230 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 52.492 58.461 41.495 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 51.601 58.428 42.122 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 52.523 57.298 40.752 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 53.321 56.353 41.407 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 52.718 55.462 41.581 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 54.534 56.076 40.557 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 55.323 56.902 39.827 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 55.202 57.975 39.805 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 56.263 56.274 39.178 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 56.190 54.941 39.713 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 56.903 53.718 39.632 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 58.036 53.500 38.973 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 58.354 52.546 38.877 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 58.694 54.263 38.898 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 56.603 52.679 40.330 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 55.489 52.781 41.064 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 55.331 52.025 41.819 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 54.700 53.816 41.336 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 55.122 54.858 40.585 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 53.639 58.448 42.461 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 54.626 58.611 42.028 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 53.585 56.932 42.767 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 54.560 56.548 43.069 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 52.648 56.610 43.758 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 53.015 57.036 44.535 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 53.480 59.278 43.620 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 54.726 60.081 44.141 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 55.717 60.397 43.083 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 54.167 61.112 45.004 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 55.288 58.884 44.999 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 54.710 58.394 46.214 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 53.620 58.373 46.204 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 55.009 59.024 47.051 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 55.292 57.028 46.552 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 54.700 56.691 47.403 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 55.111 56.151 45.447 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 56.129 55.104 45.443 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 55.827 54.068 45.595 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 56.821 55.179 44.164 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 57.103 56.264 43.433 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 56.563 57.192 43.548 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 58.063 56.135 42.514 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 58.433 54.785 42.677 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 59.481 54.001 42.122 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 60.244 54.307 41.217 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 59.537 52.732 42.540 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 60.351 52.177 42.316 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 58.711 52.285 43.482 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 59.167 51.188 43.922 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 59.851 50.650 43.410 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 58.935 50.904 44.863 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 57.713 52.898 44.078 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 57.563 54.175 43.642 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 56.724 56.933 46.914 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 57.290 57.684 46.362 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 57.085 55.436 46.583 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 58.145 55.423 46.328 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 56.832 54.582 47.733 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 57.321 55.032 48.425 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 56.834 57.258 48.325 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 58.218 57.321 49.079 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 59.138 58.128 48.201 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 57.929 57.804 50.463 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 58.676 55.822 49.128 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 59.951 55.514 49.486 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 60.068 55.587 50.568 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 60.653 56.231 49.061 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 60.442 54.121 49.101 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 60.202 53.539 49.991 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 60.008 53.569 47.801 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 61.040 52.792 47.380 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 60.726 51.766 47.194 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 61.525 53.419 46.053 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 61.241 54.765 45.754 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 60.708 55.296 46.529 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 61.724 55.322 44.612 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 61.483 56.344 44.361 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 62.413 54.474 43.779 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 62.856 55.050 42.751 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 63.466 54.430 42.236 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 62.259 55.752 42.338 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 62.830 53.256 44.018 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 62.313 52.647 45.141 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 62.615 51.466 45.294 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 61.983 54.021 49.137 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 62.514 54.828 48.632 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 62.096 52.706 48.391 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 63.053 52.599 47.879 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 61.853 51.484 49.108 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 62.167 50.721 48.617 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 62.562 53.928 50.400 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 63.932 54.632 50.720 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 64.058 55.885 49.988 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 64.268 54.634 52.127 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 65.033 53.630 49.947 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 65.020 52.248 50.193 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 63.990 51.917 50.056 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 65.364 52.078 51.213 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 65.787 51.416 49.196 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 65.991 50.423 49.598 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 65.060 51.302 47.983 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 65.934 51.277 46.827 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 65.703 50.405 46.215 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 65.765 52.440 45.911 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 65.489 53.715 46.390 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 65.201 53.923 47.410 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 65.543 54.763 45.568 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 65.497 55.759 45.985 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 65.748 54.490 44.162 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 65.842 55.421 43.258 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 65.889 55.077 42.310 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 65.546 56.368 43.447 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 66.064 53.283 43.750 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 66.107 52.250 44.531 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 66.369 51.127 44.102 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 67.170 52.060 48.770 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 67.129 53.119 48.514 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 67.379 51.413 47.397 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 67.907 52.089 46.725 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 68.086 50.203 47.475 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 68.647 50.054 46.710 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 68.207 51.764 49.707 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 73.819 52.526 46.919 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 74.411 53.063 46.388 1.00 0.00 SBOX ATOM 2794 P ADE A 94 69.296 52.759 50.146 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 68.666 54.075 50.529 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 70.139 52.066 51.162 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 70.236 52.836 48.858 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 71.179 51.800 48.496 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 70.738 50.807 48.575 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 72.009 51.772 49.202 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 71.560 51.865 46.978 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 71.961 50.887 46.709 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 70.353 52.129 46.208 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 70.760 52.988 45.171 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 70.461 52.521 44.233 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 69.937 54.187 45.347 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 69.469 54.880 46.428 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 69.578 54.514 47.438 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 68.803 55.980 46.120 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 68.913 56.009 44.734 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 68.451 56.844 43.665 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 67.823 57.964 43.725 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 67.752 58.568 42.918 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 67.775 58.346 44.659 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 68.621 56.527 42.359 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 69.206 55.341 42.089 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 69.310 55.082 41.046 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 69.645 54.443 42.942 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 69.494 54.863 44.245 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 72.548 52.966 46.668 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 72.258 53.857 47.225 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 72.266 53.263 45.170 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 72.548 54.291 44.943 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 72.819 52.309 44.218 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 72.651 52.713 43.364 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 58.270 10.871 13.090 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 58.363 10.572 13.995 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 57.602 11.555 13.130 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 54.956 63.382 51.584 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 54.444 64.191 51.595 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 55.381 63.380 50.726 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 46.421 33.268 7.029 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 46.732 34.130 6.752 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 45.641 33.451 7.553 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 84.998 36.246 22.589 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 85.060 37.068 23.075 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 85.732 35.721 22.909 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 26.301 80.180 31.598 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 25.923 79.308 31.714 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 25.902 80.510 30.793 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 45.093 57.066 28.656 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 44.762 57.838 29.114 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 45.511 57.415 27.869 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 27.649 37.494 25.333 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 28.106 37.018 26.026 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 28.269 37.511 24.604 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 84.954 53.267 5.018 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 84.655 52.522 5.540 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 85.387 53.843 5.648 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 55.144 51.466 21.395 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 55.671 50.900 20.831 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 54.264 51.090 21.355 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 59.207 88.505 -4.949 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 58.739 87.699 -4.730 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 58.779 89.181 -4.424 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 60.305 21.887 39.206 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 60.390 21.060 38.730 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 59.468 22.247 38.912 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 78.135 19.970 0.218 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 78.082 19.215 0.804 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 78.865 19.770 -0.367 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 57.343 35.949 24.059 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 56.799 35.638 24.783 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 56.775 35.893 23.291 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 50.225 55.640 25.502 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 51.130 55.696 25.198 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 49.710 55.525 24.704 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 32.990 65.997 -11.343 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 32.552 65.240 -10.956 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 33.479 65.639 -12.084 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 54.238 46.336 47.124 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 54.675 45.691 47.680 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 54.551 46.142 46.240 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 29.890 55.187 24.685 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 30.636 54.959 25.239 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 29.333 54.409 24.700 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 58.902 37.123 16.592 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 59.383 37.943 16.484 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 58.086 37.378 17.024 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 44.816 51.813 19.168 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 45.731 51.624 18.962 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 44.503 52.327 18.424 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 46.558 32.183 43.348 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 45.883 32.216 42.670 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 46.449 31.324 43.755 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 26.277 76.706 46.654 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 26.922 76.008 46.765 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 26.674 77.301 46.018 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 49.106 52.958 56.310 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 49.471 52.086 56.466 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 48.834 52.943 55.392 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 69.765 49.350 22.825 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 68.907 49.744 22.668 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 69.996 48.939 21.992 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 25.838 10.550 -11.280 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 25.167 9.871 -11.350 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 25.910 10.909 -12.164 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 23.783 24.542 66.836 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 23.062 24.213 66.300 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 23.918 25.440 66.532 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 44.876 24.554 12.895 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 45.338 25.315 12.543 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 45.563 24.021 13.296 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 71.036 26.117 16.444 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 70.949 26.961 16.001 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 71.869 26.176 16.911 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 70.998 32.649 22.243 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 70.211 32.331 21.801 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 71.593 32.887 21.532 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 63.020 42.606 -11.083 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 63.132 43.039 -11.930 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 62.618 41.764 -11.294 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 23.848 8.262 37.451 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 24.402 8.398 36.683 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 23.419 7.422 37.292 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 33.930 26.197 29.139 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 33.922 27.117 28.873 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 33.276 25.780 28.578 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 83.019 32.509 -16.041 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 82.571 31.664 -16.037 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 83.705 32.414 -16.702 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 78.028 64.847 29.730 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 77.579 65.551 30.197 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 77.331 64.384 29.266 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 68.034 13.086 55.093 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 67.818 13.863 54.577 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 67.677 13.268 55.962 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 55.294 36.586 22.150 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 54.669 36.046 21.665 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 55.041 37.486 21.948 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 65.028 28.943 28.730 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 64.338 29.316 29.278 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 64.568 28.361 28.126 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 42.178 56.829 -5.627 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 42.210 55.984 -5.178 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 42.799 57.378 -5.149 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 90.591 10.332 -2.196 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 91.037 11.110 -2.531 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 90.339 9.844 -2.980 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 44.762 70.138 17.898 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 44.552 69.271 18.245 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 45.707 70.224 18.023 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 50.417 55.218 19.621 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 50.634 54.821 18.777 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 51.114 55.856 19.773 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 28.133 5.984 27.508 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 28.569 6.750 27.880 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 27.598 6.335 26.796 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 49.067 53.202 20.928 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 49.442 53.996 20.546 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 49.506 52.485 20.470 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 26.689 21.338 -12.077 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 26.365 22.230 -11.951 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 26.114 20.796 -11.537 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 72.319 50.195 19.694 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 71.580 50.145 19.088 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 72.014 50.767 20.398 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 82.488 96.421 42.329 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 83.079 96.278 41.589 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 81.646 96.630 41.926 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 54.954 28.171 20.658 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 54.572 29.048 20.700 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 55.882 28.304 20.849 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 61.440 49.904 -3.872 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 60.613 49.425 -3.935 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 61.202 50.816 -4.035 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 66.691 52.271 56.636 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 66.549 52.797 57.423 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 66.099 52.649 55.985 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 33.215 90.178 9.192 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 33.886 89.843 9.787 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 32.567 90.586 9.768 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 37.597 64.280 64.466 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 38.521 64.163 64.248 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 37.213 63.409 64.364 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 66.123 77.832 66.047 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 66.716 77.913 66.794 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 66.575 78.279 65.332 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 56.654 71.020 25.624 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 55.936 71.000 24.991 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 57.434 71.193 25.097 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 57.110 50.592 22.982 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 56.813 50.252 22.137 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 56.858 49.917 23.613 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 53.089 55.714 24.458 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 54.017 55.493 24.376 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 52.940 56.377 23.784 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 36.930 34.535 38.571 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 37.103 35.475 38.521 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 37.717 34.127 38.211 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 63.914 27.152 10.585 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 64.138 26.819 11.454 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 64.019 28.101 10.657 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 49.940 20.902 44.418 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 50.750 21.107 44.885 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 50.217 20.347 43.689 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 48.064 53.382 23.730 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 47.841 54.047 23.080 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 48.981 53.170 23.553 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 63.401 44.315 32.987 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 62.773 44.552 32.304 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 63.575 45.136 33.448 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 75.044 69.607 16.967 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 74.169 69.370 16.660 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 75.321 68.863 17.501 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 76.780 49.320 31.660 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 75.928 48.893 31.561 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 76.804 49.972 30.960 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 43.979 67.398 18.002 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 43.745 67.417 17.074 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 43.989 66.468 18.228 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 26.525 14.095 -1.077 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 26.225 14.933 -0.724 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 27.048 14.331 -1.843 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 78.345 62.642 61.175 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 78.344 61.786 60.746 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 78.734 62.479 62.034 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 31.112 39.798 19.469 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 31.249 40.347 20.241 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 30.166 39.653 19.443 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 56.551 40.679 32.852 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 55.781 40.111 32.820 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 56.429 41.291 32.127 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 33.085 31.360 43.040 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 33.926 30.908 42.964 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 32.582 30.830 43.657 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 52.595 45.838 10.175 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 53.531 45.849 9.971 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 52.556 45.893 11.130 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 24.722 21.142 36.249 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 25.583 20.893 36.586 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 24.537 21.985 36.663 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 84.293 16.837 63.895 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 83.722 16.069 63.886 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 84.753 16.784 64.733 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 46.951 44.550 24.455 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 47.328 45.295 23.986 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 46.281 44.936 25.019 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 33.677 75.403 -15.696 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 33.377 76.047 -16.338 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 34.242 74.813 -16.195 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 58.931 55.049 33.586 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 58.245 55.586 33.983 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 58.937 55.309 32.665 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 32.209 60.159 12.669 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 32.814 60.203 13.409 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 32.034 59.225 12.556 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 76.048 34.374 -16.393 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 76.724 35.051 -16.440 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 75.703 34.317 -17.284 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 46.467 67.231 -6.404 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 45.683 67.311 -5.861 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 47.079 67.869 -6.037 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 22.224 77.555 9.745 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 21.474 77.812 10.281 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 22.358 76.629 9.948 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 39.831 49.886 30.526 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 39.352 49.454 29.819 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 40.047 50.751 30.176 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 52.569 56.382 17.134 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 51.774 55.895 16.913 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 53.275 55.741 17.045 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 74.540 3.452 43.412 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 73.644 3.705 43.191 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 74.468 2.541 43.699 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 68.284 86.041 60.305 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 67.845 86.796 59.913 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 69.211 86.171 60.104 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 83.754 66.693 29.251 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 82.917 66.972 28.880 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 83.734 65.737 29.196 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 39.229 86.247 61.597 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 38.870 85.732 60.874 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 39.206 85.654 62.348 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 68.266 69.802 46.895 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 68.828 69.101 47.226 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 67.384 69.429 46.910 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 30.658 31.022 34.265 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 30.800 31.366 33.383 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 30.265 31.750 34.747 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 41.576 50.687 27.737 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 41.867 51.314 28.399 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 42.017 50.965 26.934 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 23.079 60.865 -17.172 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 22.965 61.652 -17.705 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 22.189 60.603 -16.937 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 49.270 43.912 38.523 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 50.055 44.428 38.340 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 48.987 43.594 37.665 1.00 0.00 SOLV ATOM 3090 MG MG X 205 44.628 52.204 21.104 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 57.923 41.208 34.329 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 49.356 54.633 31.781 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 50.156 54.024 32.210 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 49.775 56.033 31.700 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 49.488 56.668 32.950 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 50.404 56.760 33.552 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 49.048 57.998 32.446 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 47.970 59.500 31.272 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 49.264 59.872 31.197 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 49.897 59.032 32.036 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 50.924 59.064 32.366 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 45.615 59.343 30.861 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 45.634 58.204 31.574 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 44.656 57.748 31.694 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 46.675 57.680 32.241 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 47.796 58.375 32.055 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 46.784 59.910 30.669 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 46.624 60.992 29.982 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 47.419 61.610 30.105 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 45.748 61.484 30.112 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 48.441 55.777 33.674 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 47.570 56.366 33.971 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 48.915 55.166 34.859 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 48.370 54.401 35.057 1.00 0.00 SAM ATOM 3115 N SAM X 301 49.427 59.009 28.288 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 50.445 59.052 28.458 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 49.195 59.889 27.799 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 49.000 59.190 29.211 1.00 0.00 SAM ATOM 3119 CA SAM X 301 48.907 57.741 27.564 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 49.699 57.659 26.819 1.00 0.00 SAM ATOM 3121 CB SAM X 301 48.863 56.524 28.541 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 48.383 56.787 29.487 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 48.278 55.752 28.037 1.00 0.00 SAM ATOM 3124 CG SAM X 301 50.309 55.924 28.731 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 50.770 55.900 27.740 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 50.941 56.447 29.453 1.00 0.00 SAM ATOM 3127 SD SAM X 301 50.314 54.146 29.219 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 48.953 54.091 30.374 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 48.866 53.004 30.447 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 48.037 54.502 29.941 1.00 0.00 SAM ATOM 3131 CE SAM X 301 49.451 53.346 27.796 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 48.553 53.818 27.391 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 49.311 52.287 28.027 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 50.125 53.442 26.941 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 48.118 54.615 32.695 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 47.230 54.910 32.130 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 47.970 53.330 33.279 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 47.209 53.391 33.862 1.00 0.00 SAM ATOM 3139 C SAM X 301 47.525 57.935 26.815 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 46.867 58.931 27.056 1.00 0.00 SAM O ATOM 3141 O SAM X 301 46.945 56.968 26.253 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 26.767 94.661 8.028 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 25.947 95.151 8.087 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 27.291 94.981 8.762 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 26.690 20.556 56.885 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 27.121 19.702 56.856 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 26.121 20.512 57.654 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 87.204 84.475 33.135 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 87.807 83.739 33.028 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 86.590 84.390 32.405 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 83.215 86.043 11.097 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 82.794 85.946 11.951 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 82.874 86.869 10.754 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 21.523 6.763 59.078 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 20.947 6.841 58.318 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 22.021 5.961 58.921 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 50.525 7.778 -5.137 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 50.699 7.389 -4.279 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 49.609 8.052 -5.095 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 70.547 78.227 34.590 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 71.189 77.829 35.178 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 69.987 77.500 34.317 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 68.813 13.527 4.070 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 68.819 14.008 4.898 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 67.917 13.618 3.746 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 37.849 15.240 -6.518 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 36.986 15.363 -6.123 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 38.199 14.457 -6.091 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 22.423 91.765 21.479 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 22.025 92.497 21.951 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 23.330 92.036 21.338 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 38.014 45.610 12.748 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 38.080 44.688 12.996 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 38.075 45.607 11.793 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 51.071 33.625 41.699 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 51.191 33.328 40.797 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 50.148 33.874 41.750 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 46.108 94.800 -11.425 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 46.401 94.828 -12.336 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 45.601 95.604 -11.312 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 35.042 62.105 44.321 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 35.189 61.189 44.555 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 35.469 62.207 43.470 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 37.933 20.998 40.298 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 38.161 21.904 40.090 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 38.532 20.472 39.769 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 30.020 52.466 22.404 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 30.682 53.124 22.616 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 29.696 52.722 21.541 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 84.467 5.998 42.023 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 85.181 5.589 41.534 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 84.040 5.272 42.477 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 64.798 95.237 43.971 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 65.269 94.610 43.422 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 63.892 95.191 43.663 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 31.786 8.488 37.091 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 32.730 8.408 37.230 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 31.427 8.650 37.963 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 34.722 49.798 31.918 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 35.378 50.375 32.308 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 35.222 49.046 31.601 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 54.836 11.051 -17.877 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 55.729 10.840 -17.603 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 54.837 12.002 -17.989 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 40.949 18.709 1.259 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 40.730 17.788 1.396 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 41.871 18.776 1.509 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 36.665 91.209 67.429 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 35.932 91.657 67.007 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 37.353 91.195 66.763 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 78.126 62.724 3.679 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 77.468 63.157 3.135 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 78.958 63.107 3.401 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 42.582 81.437 20.571 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 43.176 81.466 21.321 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 42.073 80.636 20.699 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 87.170 75.709 4.284 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 87.046 74.991 4.904 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 88.021 75.535 3.881 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 90.205 17.610 -14.936 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 90.864 18.227 -14.618 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 89.368 18.032 -14.740 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 49.364 84.576 -20.216 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 48.813 83.811 -20.046 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 49.800 84.747 -19.381 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 53.906 65.483 -5.243 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 54.787 65.660 -4.912 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 53.487 66.343 -5.279 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 79.364 29.518 19.450 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 79.501 29.100 20.300 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 78.778 30.251 19.635 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 66.723 66.873 16.555 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 66.305 66.075 16.232 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 67.614 66.604 16.779 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 54.459 90.973 37.559 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 54.761 90.456 38.306 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 54.524 90.377 36.813 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 33.902 42.829 55.850 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 33.082 43.092 55.432 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 33.744 41.933 56.148 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 32.507 2.037 35.350 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 33.196 1.856 34.711 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 32.203 2.918 35.132 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 50.540 22.223 23.535 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 51.312 22.765 23.696 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 50.103 22.169 24.384 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 20.746 32.681 -7.812 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 20.459 31.862 -8.215 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 20.030 32.923 -7.224 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 37.293 26.241 1.550 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 36.581 26.489 2.141 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 37.685 25.469 1.958 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 87.187 45.702 -3.928 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 87.373 44.882 -4.386 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 87.039 45.442 -3.019 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 46.222 80.383 66.084 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 47.141 80.442 66.346 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 46.234 79.866 65.279 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 29.867 37.472 3.395 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 30.474 37.903 2.794 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 30.185 37.706 4.266 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 23.050 2.171 -0.102 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 23.758 2.113 -0.743 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 23.465 1.962 0.734 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 28.921 0.282 -10.050 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 29.034 1.198 -10.303 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 28.167 0.287 -9.460 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 83.088 13.921 -17.354 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 83.060 14.543 -16.627 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 83.844 14.194 -17.875 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 29.157 38.899 -16.016 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 29.960 39.156 -16.468 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 28.620 39.692 -16.010 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 42.314 62.843 2.766 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 42.884 63.414 3.282 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 42.783 62.009 2.726 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 51.387 33.753 54.825 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 51.411 33.157 54.076 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 51.778 34.564 54.499 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 29.888 5.331 2.281 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 30.438 4.875 2.918 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 29.936 6.252 2.538 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 90.105 32.362 -11.360 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 90.784 32.147 -12.000 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 89.693 33.154 -11.704 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 87.962 84.595 9.967 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 88.010 85.245 9.267 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 87.475 83.865 9.584 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 32.241 93.399 3.047 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 32.461 92.761 2.369 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 31.848 92.878 3.748 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 40.242 57.967 -7.046 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 39.629 58.504 -6.544 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 40.763 57.514 -6.382 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 67.055 67.667 -17.180 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 66.922 68.329 -17.859 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 66.344 67.040 -17.313 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 29.571 25.231 64.026 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 28.616 25.274 64.077 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 29.849 25.000 64.912 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 56.019 27.336 56.115 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 56.170 27.599 55.207 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 56.678 27.815 56.617 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 30.481 93.620 12.382 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 29.577 93.309 12.426 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 30.721 93.792 13.293 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 57.024 33.264 30.013 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 57.891 33.466 29.660 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 56.418 33.745 29.450 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 23.713 18.823 63.268 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 23.362 19.582 63.734 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 22.958 18.246 63.146 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 68.031 90.840 -14.179 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 67.536 90.045 -13.980 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 67.480 91.553 -13.854 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 74.835 9.249 -4.991 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 74.748 9.106 -5.933 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 74.000 9.638 -4.729 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 47.376 10.235 50.970 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 47.119 9.316 51.042 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 46.614 10.668 50.585 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 61.434 68.426 26.614 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 61.119 67.615 27.014 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 60.704 68.725 26.071 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 35.875 52.998 -12.368 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 36.383 53.675 -11.922 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 36.515 52.321 -12.586 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 71.857 26.228 -13.556 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 72.701 26.265 -13.106 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 71.289 26.808 -13.049 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 44.137 7.508 12.518 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 44.848 6.878 12.401 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 44.056 7.604 13.467 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 27.066 85.445 7.259 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 26.450 85.899 7.834 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 27.746 86.094 7.076 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 44.168 36.386 55.184 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 45.111 36.387 55.348 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 44.001 35.547 54.753 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 87.687 44.319 14.058 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 87.366 45.221 14.043 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 86.894 43.783 14.083 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 85.780 18.601 37.195 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 86.243 19.133 36.548 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 85.077 19.168 37.513 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 35.424 80.601 11.081 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 35.872 81.443 11.164 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 35.376 80.446 10.138 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 42.618 40.234 19.776 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 42.680 39.968 18.859 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 43.246 39.672 20.231 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 61.360 82.123 19.081 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 61.409 82.097 18.126 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 60.622 82.702 19.268 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 34.548 20.782 10.061 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 34.253 20.683 9.156 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 35.488 20.608 10.028 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 83.269 37.325 3.561 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 83.394 38.272 3.505 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 83.997 36.956 3.061 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 26.536 48.516 41.238 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 27.334 48.495 40.711 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 26.589 49.339 41.723 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 61.741 44.861 8.522 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 62.546 45.147 8.953 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 61.374 44.203 9.113 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 80.290 15.671 5.913 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 80.648 16.460 6.321 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 80.709 15.636 5.052 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 84.909 81.107 -6.290 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 85.154 81.809 -5.687 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 84.056 80.809 -5.975 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 79.426 28.766 36.965 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 79.405 29.625 36.544 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 79.332 28.143 36.244 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 73.493 53.518 55.118 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 74.065 53.530 55.886 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 72.960 54.308 55.203 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 55.865 11.500 48.145 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 56.775 11.377 48.413 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 55.469 11.995 48.862 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 27.758 10.173 37.941 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 27.896 10.288 38.881 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 28.285 10.862 37.535 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 40.741 81.937 55.778 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 41.252 82.746 55.805 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 40.825 81.629 54.876 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 73.621 61.359 49.832 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 73.540 61.268 50.781 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 72.770 61.692 49.548 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 82.104 15.373 -8.164 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 81.308 14.871 -8.341 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 82.424 15.029 -7.331 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 23.338 71.845 35.653 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 23.769 72.441 35.041 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 22.455 71.735 35.301 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 54.819 81.427 -16.010 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 53.935 81.492 -15.651 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 55.243 80.750 -15.483 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 77.276 8.556 -3.423 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 76.651 9.230 -3.694 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 77.616 8.869 -2.585 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 44.326 21.025 -8.212 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 44.065 21.939 -8.099 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 43.505 20.558 -8.367 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 81.905 41.025 11.724 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 82.448 40.414 12.221 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 81.621 40.526 10.958 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 44.185 90.581 48.126 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 44.240 89.933 47.425 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 45.077 90.916 48.213 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 86.198 44.784 29.946 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 86.609 43.929 30.072 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 85.560 44.851 30.656 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 43.207 74.418 60.577 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 43.831 74.512 59.857 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 42.738 73.607 60.384 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 50.355 56.663 -8.808 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 50.784 57.129 -8.090 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 49.615 57.221 -9.047 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 84.089 76.073 11.324 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 83.868 75.232 10.923 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 85.046 76.101 11.309 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 29.520 44.734 19.133 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 29.600 45.467 19.743 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 30.354 44.718 18.665 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 69.234 17.625 32.970 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 69.323 17.187 32.124 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 70.085 18.036 33.118 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 65.830 68.661 52.933 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 66.526 68.130 52.545 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 65.038 68.395 52.467 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 28.405 45.462 49.505 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 29.360 45.455 49.443 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 28.123 46.038 48.794 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 83.646 7.743 47.833 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 84.324 7.191 47.442 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 82.886 7.167 47.914 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 52.870 73.151 -18.977 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 53.099 73.686 -18.218 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 52.460 73.764 -19.588 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 28.034 79.137 39.674 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 28.769 78.527 39.609 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 27.576 79.052 38.838 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 58.243 11.234 10.286 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 57.601 10.607 9.954 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 58.305 11.042 11.222 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 71.854 9.182 67.267 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 71.149 8.825 67.808 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 71.586 8.990 66.368 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 23.592 20.583 1.001 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 23.845 21.115 1.755 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 23.698 21.166 0.249 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 73.800 42.608 17.734 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 73.479 41.725 17.550 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 73.375 43.160 17.078 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 85.893 71.345 16.149 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 86.784 71.389 15.800 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 85.991 70.926 17.004 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 36.524 3.255 13.541 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 35.860 3.795 13.971 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 37.353 3.548 13.919 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 86.808 42.289 45.941 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 85.938 42.575 45.664 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 86.779 42.323 46.897 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 28.917 41.960 10.244 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 28.275 41.296 9.994 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 28.676 42.731 9.731 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 77.399 54.048 19.984 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 77.087 54.362 19.136 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 76.889 54.543 20.626 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 20.768 41.811 33.851 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 20.175 42.134 34.529 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 20.399 40.966 33.593 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 59.869 9.451 6.235 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 59.794 10.396 6.108 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 60.340 9.141 5.461 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 72.727 88.938 -16.650 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 73.300 89.704 -16.600 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 72.355 88.859 -15.772 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 76.368 46.110 4.337 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 77.000 45.444 4.607 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 76.862 46.689 3.757 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 45.292 35.633 -0.593 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 44.803 36.455 -0.558 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 45.678 35.547 0.278 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 77.206 56.959 31.998 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 76.898 56.067 31.841 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 76.677 57.502 31.414 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 65.963 51.220 0.675 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 65.200 51.140 1.248 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 66.208 52.144 0.729 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 87.613 59.390 30.644 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 87.223 60.141 31.092 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 86.880 58.793 30.494 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 34.401 4.984 45.551 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 33.851 4.922 44.770 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 35.197 4.504 45.323 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 77.540 69.536 19.176 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 77.252 68.624 19.219 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 77.636 69.714 18.241 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 24.349 36.600 41.120 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 24.128 36.273 41.992 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 23.504 36.798 40.717 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 78.520 17.912 4.332 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 78.848 17.096 4.709 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 78.060 17.641 3.537 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 56.625 2.322 17.367 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 55.964 2.912 17.729 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 57.380 2.423 17.946 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 76.386 15.240 58.924 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 77.070 14.806 58.414 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 76.118 14.586 59.570 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 78.591 2.710 37.570 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 78.736 3.638 37.754 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 77.701 2.670 37.220 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 30.033 35.679 -2.708 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 29.285 36.083 -3.149 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 30.772 36.251 -2.915 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 23.377 37.457 24.209 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 23.467 37.280 23.272 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 24.211 37.854 24.459 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 46.273 53.930 1.865 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 46.734 54.643 2.307 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 46.236 53.229 2.516 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 89.252 53.518 3.328 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 89.582 54.314 2.910 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 89.719 53.474 4.162 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 62.098 29.028 64.311 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 61.275 29.302 64.715 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 62.392 28.288 64.842 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 27.271 96.683 38.061 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 26.639 96.087 38.463 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 27.524 97.277 38.768 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 73.203 42.527 31.811 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 72.683 41.740 31.652 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 72.571 43.245 31.770 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 48.612 22.161 -17.307 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 49.348 22.470 -17.835 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 49.000 21.943 -16.459 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 42.550 21.176 3.726 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 43.245 21.393 4.348 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 41.943 21.914 3.777 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 25.279 33.443 42.018 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 25.075 34.139 42.643 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 25.304 32.646 42.547 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 83.002 31.279 38.786 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 83.455 32.070 39.079 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 83.705 30.687 38.516 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 62.600 23.327 40.299 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 61.738 23.303 39.885 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 62.839 22.407 40.411 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 72.979 83.285 59.605 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 72.654 83.366 58.709 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 72.983 82.343 59.775 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 72.720 55.378 32.794 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 72.185 54.735 32.331 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 72.088 55.934 33.250 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 67.371 87.008 -0.819 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 67.056 86.163 -0.497 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 68.320 86.972 -0.701 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 45.257 60.803 -9.901 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 45.981 60.947 -9.291 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 44.471 61.009 -9.394 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 20.150 86.326 7.478 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 20.737 86.183 8.220 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 19.911 85.445 7.189 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 89.161 60.709 23.471 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 89.635 61.184 22.788 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 89.270 59.786 23.241 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 76.532 11.499 -4.464 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 76.690 12.398 -4.178 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 75.597 11.474 -4.670 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 72.147 26.960 45.409 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 71.273 26.596 45.548 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 72.447 27.207 46.284 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 45.930 29.468 50.536 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 45.011 29.465 50.270 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 45.991 30.172 51.182 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 33.760 25.077 -12.407 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 33.045 25.494 -12.888 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 34.271 24.627 -13.079 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 38.159 32.753 62.023 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 37.795 32.030 61.512 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 38.778 32.336 62.622 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 34.326 25.862 -8.110 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 34.643 25.089 -7.643 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 34.627 26.602 -7.582 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 56.270 12.151 29.792 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 56.809 12.636 29.167 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 56.302 12.674 30.593 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 87.984 48.583 65.968 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 88.098 48.411 65.033 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 87.838 49.528 66.022 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 54.636 53.097 -0.732 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 53.766 53.346 -0.421 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 55.239 53.596 -0.182 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 47.816 58.256 6.558 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 48.665 57.947 6.874 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 48.013 58.703 5.735 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 60.476 52.565 -18.151 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 59.839 53.105 -17.684 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 60.700 53.075 -18.929 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 78.736 5.939 0.522 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 77.967 6.483 0.353 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 78.437 5.044 0.357 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 59.019 28.338 36.982 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 59.640 27.919 36.385 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 58.628 29.043 36.466 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 31.086 37.618 -13.770 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 31.941 37.719 -13.351 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 30.474 38.054 -13.177 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 76.129 10.659 54.116 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 76.572 10.871 53.294 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 75.310 10.244 53.847 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 47.388 31.008 37.571 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 47.197 30.363 36.890 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 47.307 31.854 37.130 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 39.136 55.204 15.994 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 39.096 55.111 16.946 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 39.531 56.065 15.853 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 54.468 31.682 53.847 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 54.642 30.770 53.617 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 54.317 32.117 53.007 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 34.329 15.969 65.384 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 33.827 16.783 65.354 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 35.126 16.160 64.891 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 49.182 43.405 10.155 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 49.043 42.585 10.629 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 49.874 43.851 10.645 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 84.871 46.981 -17.732 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 84.569 46.682 -18.589 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 84.438 47.825 -17.606 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 55.544 60.327 61.285 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 55.114 59.985 62.068 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 56.460 60.069 61.382 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 66.800 8.934 33.528 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 66.694 9.885 33.501 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 67.390 8.780 34.266 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 39.581 73.969 21.177 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 39.060 74.428 21.835 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 40.488 74.187 21.394 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 71.876 63.329 21.379 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 71.072 63.295 20.861 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 72.004 62.430 21.683 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 23.433 40.536 46.970 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 23.012 41.330 47.298 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 22.908 40.282 46.210 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 61.086 32.939 17.116 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 61.000 33.331 17.985 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 60.341 33.282 16.623 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 74.645 45.335 67.143 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 74.471 45.257 66.205 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 74.556 46.270 67.327 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 20.407 52.400 10.975 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 21.274 51.997 11.012 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 20.478 53.062 10.288 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 87.254 85.850 39.440 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 86.982 85.044 39.002 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 86.478 86.411 39.413 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 20.777 37.543 0.830 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 20.591 37.650 1.763 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 21.688 37.819 0.734 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 36.815 38.383 23.067 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 37.604 37.932 23.368 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 37.140 39.163 22.617 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 39.383 28.002 0.261 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 39.041 27.148 0.527 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 38.692 28.378 -0.284 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 32.052 19.995 49.060 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 32.490 20.440 48.335 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 32.526 20.283 49.840 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 41.438 44.194 -13.501 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 41.000 44.745 -14.149 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 40.936 44.324 -12.696 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 40.151 87.072 25.889 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 41.010 86.911 26.280 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 39.531 86.665 26.494 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 37.326 51.341 0.343 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 37.750 51.899 -0.310 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 37.519 51.762 1.180 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 42.066 10.356 -8.430 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 41.943 10.242 -7.488 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 42.672 9.659 -8.680 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 73.624 21.945 52.307 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 72.874 21.999 51.715 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 73.289 21.487 53.078 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 51.977 32.985 44.323 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 52.668 32.351 44.128 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 51.662 33.268 43.465 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 36.457 95.858 63.231 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 37.246 96.361 63.025 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 36.686 95.367 64.020 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 28.272 4.213 0.136 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 28.706 4.670 0.857 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 27.556 3.733 0.553 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 68.420 18.759 -2.015 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 68.070 19.546 -2.432 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 67.942 18.038 -2.424 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 25.096 63.750 16.747 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 24.469 63.031 16.830 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 25.924 63.385 17.058 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 26.336 9.035 45.053 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 25.907 9.151 44.206 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 26.890 9.810 45.150 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 86.020 38.734 11.029 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 86.637 39.356 11.416 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 86.226 38.742 10.095 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 73.986 62.925 65.899 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 73.580 62.602 65.095 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 74.191 62.135 66.400 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 68.692 96.925 10.776 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 68.666 96.042 10.409 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 69.079 96.814 11.644 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 63.740 39.104 0.173 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 64.253 38.492 0.700 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 63.913 39.961 0.564 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 51.954 14.678 15.591 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 51.458 15.288 15.045 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 52.098 15.152 16.410 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 77.213 48.972 -12.141 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 77.558 49.532 -11.445 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 76.285 48.869 -11.927 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 20.528 42.735 66.450 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 19.884 42.349 67.044 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 20.536 43.665 66.676 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 54.272 43.999 -19.722 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 53.560 44.637 -19.775 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 55.002 44.486 -19.339 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 55.473 83.275 -12.463 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 55.167 82.376 -12.580 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 55.339 83.455 -11.533 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 69.424 50.388 37.987 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 68.924 50.791 37.277 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 68.763 49.971 38.539 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 34.405 53.712 1.850 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 35.002 53.103 1.417 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 34.911 54.062 2.584 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 54.776 20.971 24.459 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 54.406 21.073 23.583 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 54.690 21.837 24.859 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 40.891 43.699 11.246 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 40.642 43.519 12.153 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 41.834 43.860 11.284 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 84.360 16.163 48.199 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 84.476 15.663 47.391 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 83.758 15.635 48.723 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 21.865 46.922 33.086 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 21.217 46.725 32.410 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 22.130 46.065 33.421 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 72.803 5.502 63.745 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 73.318 5.435 62.940 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 72.333 4.669 63.798 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 66.272 20.603 37.833 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 66.451 21.133 37.056 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 66.473 21.181 38.568 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 70.350 50.022 42.841 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 70.402 50.773 42.249 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 70.373 50.406 43.717 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 51.657 83.154 21.696 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 51.538 82.530 22.412 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 52.450 83.638 21.929 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 83.049 42.626 15.370 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 83.925 42.813 15.033 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 82.568 43.447 15.259 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 51.567 70.772 40.789 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 51.109 70.655 41.621 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 51.149 70.149 40.195 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 82.947 14.290 52.331 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 83.891 14.143 52.273 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 82.560 13.433 52.153 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 46.805 31.112 14.662 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 46.335 30.888 15.465 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 46.541 32.013 14.474 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 82.194 30.755 -0.827 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 81.495 31.408 -0.853 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 82.648 30.922 -0.001 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 65.095 29.414 47.961 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 64.934 30.316 48.239 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 65.175 29.467 47.009 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 37.746 32.035 -9.086 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 37.050 32.688 -9.007 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 38.068 32.135 -9.982 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 22.563 82.783 56.208 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 22.631 82.748 57.162 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 21.981 83.523 56.036 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 21.284 29.202 9.494 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 20.379 29.498 9.588 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 21.547 28.950 10.380 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 73.030 88.880 49.671 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 73.289 88.606 50.550 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 73.847 89.151 49.253 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 48.430 25.059 51.403 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 48.215 25.854 50.915 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 47.707 24.955 52.022 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 25.412 46.832 -9.588 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 25.360 47.585 -10.176 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 25.627 46.095 -10.160 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 21.684 19.973 -10.153 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 21.931 19.240 -9.589 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 21.883 20.752 -9.634 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 53.605 2.185 59.669 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 54.373 1.618 59.744 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 53.885 2.891 59.086 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 33.817 52.849 -13.990 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 34.507 52.820 -13.328 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 33.069 52.419 -13.575 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 84.384 43.650 -17.911 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 85.244 44.054 -18.031 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 84.401 42.879 -18.479 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 59.108 91.583 42.194 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 59.997 91.228 42.196 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 59.064 92.119 41.402 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 79.100 41.981 -14.218 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 79.433 41.342 -13.588 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 78.302 42.322 -13.815 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 27.274 83.393 27.405 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 27.593 84.211 27.022 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 27.660 83.372 28.280 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 36.998 59.836 -2.972 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 36.837 60.703 -2.600 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 36.155 59.388 -2.908 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 83.731 47.995 -0.578 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 83.110 47.422 -1.028 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 83.182 48.588 -0.064 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 39.447 43.422 -5.801 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 38.943 43.411 -4.987 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 40.141 44.063 -5.645 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 67.547 52.137 27.487 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 66.816 52.710 27.720 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 67.650 52.252 26.542 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 35.262 15.177 36.141 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 35.745 15.622 35.445 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 34.723 15.863 36.535 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 78.026 61.339 16.668 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 77.384 60.964 16.064 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 78.873 61.156 16.261 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 77.951 20.018 -17.219 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 77.812 19.075 -17.309 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 78.319 20.123 -16.342 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 87.464 39.471 23.428 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 87.746 39.109 22.588 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 87.670 40.404 23.368 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 74.282 48.805 21.539 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 73.670 49.027 22.242 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 73.798 48.986 20.734 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 80.713 36.172 -0.102 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 81.365 35.575 -0.467 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 80.902 36.189 0.837 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 35.093 17.837 -15.952 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 34.433 18.066 -15.299 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 35.851 18.377 -15.727 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 46.100 41.463 22.518 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 46.652 41.628 23.282 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 46.687 41.574 21.770 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 37.562 40.874 65.204 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 37.723 41.598 65.808 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 36.967 41.236 64.548 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 32.633 91.126 40.565 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 33.358 91.248 39.953 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 31.974 90.645 40.064 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 33.995 77.354 28.171 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 34.742 77.818 28.550 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 33.244 77.918 28.353 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 23.826 27.544 65.532 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 22.961 27.543 65.942 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 23.957 28.449 65.250 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 54.214 10.889 62.341 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 54.887 10.316 62.708 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 54.683 11.439 61.713 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 64.568 93.893 -5.825 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 64.077 94.167 -6.599 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 64.134 94.337 -5.096 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 77.897 66.681 5.035 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 78.592 66.396 4.442 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 77.313 67.204 4.486 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 20.673 61.456 46.986 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 19.892 61.141 46.530 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 21.080 62.067 46.372 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 68.273 20.319 47.568 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 67.572 19.967 48.116 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 68.049 20.038 46.681 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 23.515 49.476 9.615 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 23.746 48.557 9.751 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 24.071 49.758 8.888 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 81.834 74.902 -5.845 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 82.584 74.307 -5.870 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 82.173 75.729 -6.188 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 51.536 77.313 36.125 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 51.776 76.442 35.808 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 51.001 77.684 35.424 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 36.581 71.007 4.596 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 36.220 70.483 5.311 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 35.883 71.624 4.374 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 85.844 38.536 20.714 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 85.814 37.660 20.330 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 84.979 38.657 21.105 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 44.587 6.091 57.416 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 43.933 5.958 58.102 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 45.428 6.022 57.869 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 40.860 42.978 8.721 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 40.957 43.213 9.644 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 41.681 43.256 8.315 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 63.650 55.352 29.807 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 63.176 55.648 29.030 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 63.445 54.419 29.873 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 70.943 94.790 36.863 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 70.733 93.926 36.507 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 70.970 94.658 37.810 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 49.365 67.455 58.067 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 48.886 66.670 57.802 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 49.462 67.961 57.260 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 56.113 7.874 -3.939 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 56.174 7.031 -4.389 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 57.021 8.161 -3.844 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 78.932 26.591 -18.636 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 79.853 26.651 -18.381 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 78.701 27.478 -18.911 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 64.660 14.986 54.534 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 64.589 14.786 53.601 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 65.129 14.239 54.906 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 73.018 25.350 35.255 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 72.306 24.768 35.519 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 73.803 24.804 35.298 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 50.675 36.832 43.853 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 49.772 36.754 44.161 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 50.610 37.351 43.051 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 26.941 27.818 3.331 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 26.915 28.257 4.182 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 26.068 27.955 2.964 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 90.210 66.131 15.779 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 89.667 65.873 15.034 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 90.836 66.757 15.414 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 69.014 14.108 -17.807 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 69.908 14.389 -18.001 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 68.460 14.773 -18.216 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 68.839 18.345 -4.760 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 69.566 17.841 -5.126 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 69.141 18.602 -3.888 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 37.438 0.742 43.061 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 36.674 0.274 43.397 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 37.217 0.938 42.150 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 33.972 64.803 63.798 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 33.656 63.904 63.889 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 34.791 64.721 63.309 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 21.461 72.957 30.805 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 21.322 73.320 31.680 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 22.398 72.767 30.771 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 74.906 27.796 39.602 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 74.895 27.556 40.529 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 73.996 27.703 39.319 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 76.971 45.167 62.212 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 76.859 45.307 61.272 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 76.138 45.441 62.597 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 22.437 15.116 38.268 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 22.505 15.801 37.603 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 22.976 14.400 37.932 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 40.633 8.133 53.371 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 41.039 7.441 53.892 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 41.369 8.638 53.026 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 55.774 34.796 0.147 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 55.147 34.741 0.868 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 56.239 35.620 0.295 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 67.130 75.192 54.523 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 67.691 74.449 54.745 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 67.422 75.460 53.652 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 27.747 22.097 48.673 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 27.701 22.939 49.125 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 28.666 22.010 48.420 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 89.929 80.584 57.425 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 89.521 80.949 56.639 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 90.116 81.346 57.973 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 21.652 48.048 -4.923 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 20.835 48.440 -4.617 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 21.720 47.225 -4.440 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 31.791 26.184 50.600 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 32.447 26.027 49.920 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 31.343 25.344 50.700 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 70.632 57.291 30.998 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 70.607 57.942 30.298 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 69.779 56.858 30.954 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 67.128 48.212 30.657 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 66.259 47.848 30.827 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 67.035 48.675 29.824 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 30.035 76.024 42.331 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 29.707 75.169 42.609 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 30.984 75.962 42.435 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 84.811 42.031 8.230 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 84.287 42.412 8.936 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 84.989 41.137 8.520 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 28.336 55.432 38.231 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 28.954 56.114 38.496 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 27.938 55.768 37.428 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 83.172 63.312 1.286 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 82.865 62.635 0.682 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 83.910 62.910 1.743 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 67.963 33.777 57.561 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 68.359 33.482 56.741 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 67.058 33.470 57.515 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 57.281 87.364 64.095 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 57.260 86.412 64.192 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 57.428 87.507 63.160 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 42.182 56.602 40.248 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 42.767 57.317 40.499 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 42.137 56.652 39.294 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 87.373 41.687 21.294 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 87.997 42.379 21.511 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 87.231 41.778 20.352 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 77.037 41.529 23.993 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 77.797 41.822 24.496 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 76.319 41.519 24.627 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 74.222 42.835 -13.455 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 75.117 43.047 -13.189 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 73.672 43.201 -12.762 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 43.733 81.603 23.463 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 44.579 81.674 23.904 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 43.275 80.905 23.933 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 46.617 2.774 25.037 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 46.531 2.489 25.947 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 46.758 3.719 25.094 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 56.510 5.028 7.014 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 56.822 5.552 7.752 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 55.611 5.325 6.873 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 39.669 47.519 -10.755 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 40.408 48.078 -10.995 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 39.588 47.621 -9.807 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 59.682 23.664 13.781 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 59.885 22.842 14.228 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 58.825 23.918 14.122 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 28.336 44.740 15.334 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 29.106 44.435 14.853 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 28.407 45.694 15.321 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 73.685 84.136 15.672 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 73.802 84.975 15.226 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 73.564 83.503 14.965 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 47.622 66.383 -8.976 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 47.580 66.720 -8.081 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 46.850 66.751 -9.407 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 37.076 80.182 -1.351 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 37.130 80.832 -2.052 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 37.971 79.857 -1.255 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 53.288 91.396 2.385 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 52.553 90.986 1.929 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 53.689 90.683 2.883 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 46.461 60.108 -18.944 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 46.175 59.526 -18.240 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 47.064 60.719 -18.521 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 20.659 53.341 31.894 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 20.261 53.791 31.148 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 20.000 52.703 32.167 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 61.851 1.621 56.603 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 61.834 0.806 57.105 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 61.106 2.123 56.935 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 23.609 35.888 31.994 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 22.669 36.041 32.087 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 24.018 36.601 32.485 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 50.294 34.953 46.305 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 51.160 35.133 46.671 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 50.471 34.505 45.478 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 36.798 49.424 41.452 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 37.357 50.119 41.799 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 37.336 48.634 41.504 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 42.156 92.844 51.828 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 43.039 92.476 51.787 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 42.075 93.363 51.028 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 80.031 59.709 50.477 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 80.534 59.201 51.114 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 80.690 60.070 49.884 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 74.601 61.766 0.084 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 74.171 61.563 0.915 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 74.355 61.046 -0.496 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 48.621 37.282 -12.304 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 47.667 37.278 -12.385 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 48.783 37.151 -11.370 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 76.251 8.231 -11.758 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 76.817 7.949 -12.477 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 76.585 9.094 -11.514 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 32.688 68.864 27.385 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 33.378 68.855 26.721 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 33.112 69.214 28.168 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 48.057 36.008 6.526 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 48.357 35.673 7.371 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 48.233 36.948 6.566 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 29.759 58.846 -13.418 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 30.029 58.338 -12.652 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 30.368 58.582 -14.108 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 34.743 30.451 18.725 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 34.543 31.301 19.118 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 33.920 29.966 18.770 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 35.008 29.364 -10.244 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 35.207 28.434 -10.135 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 34.092 29.384 -10.520 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 23.023 88.163 35.610 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 22.382 87.649 36.100 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 22.500 88.808 35.134 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 38.191 61.530 -11.722 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 38.973 61.993 -11.424 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 38.202 60.703 -11.240 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 76.191 7.367 -8.994 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 76.078 7.468 -9.939 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 77.115 7.565 -8.840 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 88.015 69.200 6.312 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 87.816 68.370 5.881 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 87.409 69.827 5.918 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 60.338 74.928 57.084 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 60.892 74.517 56.420 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 60.711 75.801 57.201 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 72.037 51.573 37.978 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 71.821 52.482 37.773 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 71.211 51.191 38.275 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 52.595 50.861 41.306 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 52.424 49.933 41.140 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 53.260 50.863 41.994 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 59.115 53.706 -12.497 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 59.181 53.964 -11.578 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 58.761 52.817 -12.472 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 36.740 23.159 66.847 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 37.156 22.729 66.100 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 36.843 22.539 67.569 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 49.321 36.289 59.511 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 49.628 37.194 59.566 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 49.926 35.866 58.902 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 83.375 52.262 19.684 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 83.863 52.132 18.871 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 82.488 51.964 19.481 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 82.490 70.759 51.928 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 81.930 70.698 51.155 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 81.898 70.613 52.666 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 66.891 19.515 59.732 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 66.339 20.121 60.226 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 67.694 19.445 60.249 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 75.495 67.425 18.825 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 75.591 66.557 18.434 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 74.805 67.319 19.479 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 89.119 91.719 11.840 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 88.718 91.098 11.232 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 88.975 91.335 12.705 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 33.250 27.069 33.358 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 34.170 26.823 33.454 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 33.204 27.495 32.502 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 79.718 53.992 0.980 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 78.910 53.899 0.475 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 79.604 54.809 1.467 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 29.880 72.727 12.047 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 29.873 73.420 12.708 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 30.293 71.983 12.485 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 29.021 23.830 39.231 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 29.369 23.711 38.347 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 28.079 23.944 39.105 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 31.974 68.029 17.913 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 31.950 67.087 17.743 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 32.783 68.163 18.407 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 34.952 43.102 26.391 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 35.437 43.304 27.191 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 35.554 42.567 25.873 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 74.812 77.827 26.449 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 74.680 77.496 27.338 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 74.025 78.339 26.264 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 69.919 59.537 17.038 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 68.961 59.530 17.036 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 70.153 60.008 17.838 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 78.532 70.770 64.705 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 78.528 71.658 65.063 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 78.058 70.249 65.353 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 88.462 18.241 1.125 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 88.975 18.893 0.648 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 87.827 17.920 0.485 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 75.434 42.312 51.227 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 74.739 42.023 51.818 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 75.113 43.137 50.863 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 46.316 10.000 57.853 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 46.334 9.738 56.933 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 47.026 9.502 58.258 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 76.394 32.331 28.211 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 76.656 32.913 27.498 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 75.691 32.801 28.659 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 34.072 19.158 3.207 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 34.807 18.835 2.686 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 34.270 20.083 3.355 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 26.680 62.550 1.066 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 27.138 63.248 0.598 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 26.908 62.688 1.985 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 34.646 6.380 5.743 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 34.232 5.903 5.023 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 34.001 7.042 5.993 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 60.598 73.062 3.499 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 61.000 73.606 4.176 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 60.182 72.347 3.982 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 63.006 31.295 59.010 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 62.306 31.510 58.394 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 63.448 32.128 59.171 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 40.316 80.204 8.085 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 39.567 79.704 7.763 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 40.579 79.753 8.887 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 73.447 25.558 -16.799 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 73.712 24.639 -16.746 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 73.730 25.839 -17.669 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 41.963 88.532 17.842 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 42.246 88.435 18.752 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 42.775 88.658 17.351 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 24.970 60.045 31.890 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 24.990 59.096 32.016 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 24.968 60.160 30.939 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 28.424 60.143 4.204 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 28.650 59.258 4.491 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 28.842 60.718 4.845 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 83.065 32.612 -12.894 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 83.562 32.402 -13.685 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 82.270 32.083 -12.962 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 81.010 56.782 61.857 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 81.497 56.960 62.662 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 80.101 56.690 62.142 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 22.642 84.926 15.155 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 23.041 85.413 15.876 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 23.287 84.254 14.934 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 62.949 64.676 39.451 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 62.404 65.012 38.740 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 63.126 63.767 39.210 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 38.021 70.086 54.593 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 38.793 69.573 54.353 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 37.282 69.502 54.422 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 26.077 94.750 49.935 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 26.980 94.868 49.640 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 26.138 94.115 50.648 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 90.061 4.531 56.092 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 89.345 5.118 55.851 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 89.625 3.735 56.399 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 21.830 84.487 20.267 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 22.556 83.915 20.517 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 21.299 84.562 21.060 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 59.002 8.863 -6.689 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 58.973 8.659 -7.624 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 58.092 8.791 -6.400 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 29.733 94.883 57.097 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 28.848 94.999 57.441 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 29.695 95.242 56.210 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 41.215 45.876 53.868 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 40.724 45.275 53.307 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 41.021 45.585 54.759 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 64.087 61.533 63.598 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 63.761 62.038 64.343 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 63.552 60.739 63.595 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 55.490 9.344 13.397 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 55.473 10.095 12.803 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 55.657 9.725 14.260 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 56.485 94.677 -18.168 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 56.013 93.850 -18.264 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 56.977 94.580 -17.353 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 76.630 42.545 1.830 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 77.223 43.280 1.986 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 75.940 42.651 2.485 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 30.364 13.463 -9.813 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 29.691 14.118 -9.626 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 31.192 13.933 -9.709 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 84.732 39.030 -7.512 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 84.101 38.594 -6.940 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 85.486 39.203 -6.948 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 54.519 34.936 4.889 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 54.534 35.882 5.034 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 54.729 34.560 5.744 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 27.671 82.779 3.382 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 28.108 83.615 3.216 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 28.190 82.371 4.075 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 86.419 39.998 52.444 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 85.473 39.884 52.352 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 86.533 40.936 52.597 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 77.810 71.874 54.690 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 77.229 71.126 54.551 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 77.545 72.230 55.538 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 23.452 43.946 10.458 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 22.728 44.416 10.044 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 23.093 43.083 10.663 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 20.541 24.564 52.516 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 21.345 24.145 52.823 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 19.838 24.089 52.960 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 62.044 36.079 66.604 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 61.166 36.167 66.977 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 62.499 35.483 67.200 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 71.345 0.903 19.530 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 71.601 1.302 18.699 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 70.404 1.065 19.595 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 78.241 42.060 -17.136 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 78.654 42.408 -16.346 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 77.584 42.715 -17.372 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 32.485 11.436 -12.287 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 32.363 10.961 -11.465 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 31.696 11.244 -12.794 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 64.810 90.077 44.744 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 64.469 90.884 45.129 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 65.723 90.277 44.536 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 20.461 68.516 -18.575 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 20.808 69.402 -18.676 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 20.309 68.215 -19.471 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 67.700 63.140 -14.599 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 66.768 63.311 -14.467 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 67.837 62.263 -14.241 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 65.273 51.903 5.552 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 65.088 52.569 6.215 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 64.990 51.081 5.951 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 31.191 33.288 25.811 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 31.136 32.333 25.820 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 32.119 33.473 25.665 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 76.933 68.183 -0.095 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 76.449 67.573 0.461 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 77.551 67.633 -0.575 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 32.616 22.469 15.568 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 32.903 23.301 15.944 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 32.537 22.643 14.630 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 64.416 41.920 64.419 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 64.431 41.278 65.129 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 63.522 42.260 64.422 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 23.946 84.812 36.546 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 23.491 83.976 36.649 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 24.328 84.984 37.407 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 29.864 45.983 23.226 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 30.559 46.147 22.589 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 30.027 46.612 23.928 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 33.070 29.903 58.176 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 33.928 29.660 57.828 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 32.445 29.547 57.545 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 72.454 42.492 -4.880 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 71.507 42.632 -4.894 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 72.768 43.047 -4.167 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 30.665 21.037 17.001 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 30.164 21.691 17.489 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 31.364 21.536 16.579 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 39.306 62.468 13.762 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 39.710 62.926 14.498 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 40.010 61.931 13.398 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 82.066 24.165 -20.316 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 81.515 23.824 -19.612 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 82.798 24.585 -19.866 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 52.528 62.323 10.355 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 52.475 61.805 11.158 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 52.834 63.183 10.644 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 65.640 45.382 -8.893 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 65.513 44.891 -9.705 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 65.768 46.287 -9.178 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 52.823 3.760 7.548 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 52.040 3.483 8.023 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 52.564 3.746 6.627 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 32.497 85.979 -6.653 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 31.914 86.664 -6.325 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 32.582 85.366 -5.923 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 63.004 50.266 52.215 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 63.922 50.242 52.483 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 62.994 49.844 51.356 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 78.620 50.667 44.955 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 79.147 51.396 44.626 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 78.288 50.236 44.168 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 84.557 9.578 -6.626 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 84.632 10.532 -6.640 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 85.461 9.266 -6.627 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 42.499 88.423 44.091 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 41.799 88.941 43.693 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 42.042 87.764 44.613 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 84.702 57.039 5.795 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 83.994 56.400 5.717 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 84.499 57.527 6.593 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 29.023 85.323 -6.925 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 28.923 84.418 -7.220 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 29.174 85.252 -5.982 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 79.970 74.465 27.707 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 80.652 73.804 27.823 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 79.652 74.327 26.815 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 23.599 65.709 10.948 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 22.836 66.256 10.760 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 24.127 66.232 11.551 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 49.628 87.115 10.152 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 49.445 86.184 10.275 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 49.177 87.546 10.879 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 39.190 36.691 -19.683 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 39.828 36.277 -20.264 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 39.691 37.359 -19.215 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 64.252 32.842 20.607 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 63.414 32.399 20.741 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 64.910 32.166 20.767 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 71.843 76.700 26.400 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 71.855 77.508 25.888 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 71.325 76.915 27.176 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 62.001 7.742 -3.234 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 62.337 8.638 -3.197 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 62.630 7.273 -3.782 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 34.359 93.902 56.450 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 33.419 93.936 56.627 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 34.610 93.002 56.657 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 75.162 51.797 23.420 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 74.448 51.164 23.348 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 75.488 51.894 22.526 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 71.776 64.246 59.404 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 71.325 65.066 59.205 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 72.129 63.955 58.564 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 68.463 47.511 57.309 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 67.932 48.091 56.763 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 69.118 48.086 57.704 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 63.763 48.490 -0.215 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 63.591 47.833 0.460 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 62.935 48.962 -0.307 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 77.831 0.153 -17.936 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 77.748 0.938 -17.394 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 76.987 0.080 -18.382 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 64.752 84.435 -17.053 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 65.325 84.919 -16.458 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 65.268 84.330 -17.852 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 26.490 80.503 -11.709 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 26.566 79.748 -12.293 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 26.979 81.198 -12.151 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 65.511 85.402 26.224 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 65.351 84.526 25.874 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 64.721 85.610 26.723 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 46.515 83.087 17.510 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 46.719 83.147 18.443 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 46.108 82.227 17.408 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 52.970 25.003 16.008 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 52.079 24.885 15.678 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 53.048 25.945 16.157 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 80.901 70.945 21.153 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 80.431 70.176 21.477 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 81.156 70.711 20.260 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 72.016 38.517 25.968 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 71.715 38.865 25.129 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 72.272 37.614 25.776 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 89.940 65.174 44.573 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 89.825 65.667 43.761 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 89.420 64.380 44.448 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 78.677 63.147 -7.422 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 78.442 63.851 -6.817 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 77.862 62.662 -7.555 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 68.441 23.475 24.121 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 69.337 23.350 23.809 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 68.261 24.403 23.968 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 59.531 91.168 36.605 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 59.704 90.284 36.282 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 59.342 91.679 35.818 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 70.876 37.311 -8.300 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 70.580 37.979 -7.682 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 70.155 37.224 -8.923 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 25.160 57.230 38.165 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 25.354 57.341 37.235 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 25.601 57.964 38.592 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 88.976 22.882 -10.063 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 88.566 22.896 -9.198 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 89.598 23.609 -10.045 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 44.745 93.217 17.417 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 43.804 93.392 17.447 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 44.829 92.453 16.846 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 37.459 5.308 61.893 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 38.287 5.607 61.517 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 36.793 5.606 61.274 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 33.296 73.562 30.909 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 33.295 74.516 30.832 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 34.134 73.356 31.323 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 31.672 18.298 17.818 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 32.031 18.579 18.660 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 31.100 19.018 17.550 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 70.220 45.089 29.500 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 70.647 44.549 28.835 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 69.661 44.479 29.981 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 74.202 32.131 44.994 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 73.502 32.596 44.536 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 75.005 32.421 44.562 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 67.955 32.241 -4.914 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 68.736 31.702 -5.036 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 67.600 31.963 -4.070 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 73.767 85.194 8.433 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 74.321 85.267 7.655 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 74.353 84.869 9.116 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 84.208 16.046 -12.958 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 83.632 16.033 -12.194 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 84.962 16.567 -12.681 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 75.902 23.776 -18.759 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 75.672 24.625 -19.137 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 76.037 23.956 -17.829 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 26.521 6.241 44.882 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 26.368 7.180 44.986 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 26.299 5.866 45.734 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 79.327 22.209 9.061 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 79.645 21.614 9.741 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 78.989 22.964 9.543 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 65.748 28.791 34.568 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 64.807 28.721 34.410 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 66.145 28.231 33.901 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 36.287 20.023 -3.791 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 36.567 20.574 -4.522 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 37.103 19.735 -3.382 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 48.092 87.760 24.756 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 47.398 87.514 24.145 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 48.676 88.318 24.243 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 58.184 70.348 -15.926 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 58.811 69.735 -16.309 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 57.393 70.244 -16.454 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 33.184 75.488 -12.585 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 33.097 75.434 -13.537 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 34.031 75.081 -12.399 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 61.936 37.177 -0.394 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 62.386 37.965 -0.089 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 61.098 37.494 -0.730 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 35.409 52.455 -3.530 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 35.016 53.284 -3.256 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 35.866 52.137 -2.751 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 51.353 41.865 3.445 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 51.871 42.630 3.197 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 50.775 42.181 4.140 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 24.708 10.111 -3.417 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 25.056 10.540 -4.199 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 24.511 10.830 -2.816 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 78.342 35.873 -16.662 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 78.850 36.361 -17.309 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 78.899 35.853 -15.884 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 30.096 10.369 -6.830 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 31.004 10.072 -6.900 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 29.626 9.864 -7.493 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 50.649 82.304 48.922 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 50.658 83.218 48.636 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 50.608 81.799 48.110 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 52.958 9.466 19.919 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 52.160 9.384 20.441 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 52.697 9.992 19.163 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 71.040 64.002 34.532 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 70.115 64.226 34.628 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 71.262 64.273 33.641 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 54.751 54.606 67.044 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 55.147 54.114 67.764 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 53.888 54.208 66.928 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 31.778 93.430 56.466 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 31.622 92.489 56.547 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 30.937 93.832 56.684 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 50.553 16.074 61.565 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 49.820 15.791 61.018 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 51.333 15.818 61.073 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 69.548 92.816 16.783 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 68.792 92.369 17.164 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 69.445 93.730 17.048 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 86.046 84.174 15.955 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 86.498 84.653 15.260 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 86.517 84.411 16.755 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 47.015 80.043 3.769 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 47.126 79.230 3.276 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 47.160 79.793 4.681 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 70.269 37.297 -18.895 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 69.751 36.736 -18.318 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 71.118 36.859 -18.957 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 76.572 59.115 56.346 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 76.734 58.526 55.609 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 75.843 59.665 56.058 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 30.908 75.295 -18.339 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 31.586 75.548 -17.712 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 31.344 75.330 -19.191 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 28.731 14.948 -5.159 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 29.040 14.062 -5.349 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 28.539 14.939 -4.221 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 48.841 14.714 59.923 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 49.081 14.399 59.052 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 48.186 14.089 60.233 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 70.709 82.474 32.025 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 70.535 83.211 31.439 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 71.243 81.874 31.504 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 25.299 42.684 -7.577 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 25.835 41.985 -7.202 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 24.457 42.608 -7.128 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 28.794 11.158 2.250 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 28.460 12.025 2.022 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 29.667 11.127 1.860 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 56.639 28.441 -1.385 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 56.777 28.915 -0.565 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 57.042 28.996 -2.053 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 38.511 80.533 12.537 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 39.107 80.465 13.283 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 38.856 81.261 12.020 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 22.848 79.774 15.655 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 23.634 79.301 15.929 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 22.179 79.515 16.288 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 69.549 23.924 14.933 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 69.699 24.678 15.504 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 68.597 23.851 14.876 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 29.838 15.864 13.244 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 28.953 15.949 13.597 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 30.408 15.901 14.012 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 82.133 68.074 22.150 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 81.398 67.769 22.682 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 81.891 67.844 21.253 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 45.843 47.376 0.935 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 45.997 48.108 0.337 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 46.353 47.592 1.716 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 34.128 79.957 45.873 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 34.385 79.386 46.597 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 33.424 79.482 45.431 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 33.095 12.858 49.591 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 32.827 11.946 49.482 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 34.000 12.807 49.898 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 63.378 85.915 12.244 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 63.663 85.002 12.207 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 62.547 85.927 11.770 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 83.398 81.167 6.365 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 83.797 81.286 5.504 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 82.668 80.567 6.211 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 89.696 0.710 22.588 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 89.039 1.234 23.046 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 89.506 -0.192 22.847 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 58.693 34.575 46.649 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 58.376 34.435 45.757 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 59.593 34.880 46.538 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 80.748 10.136 38.244 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 81.137 10.228 39.113 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 79.915 9.691 38.400 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 45.265 66.265 2.373 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 44.943 65.467 2.792 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 46.218 66.204 2.442 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 44.533 89.504 17.271 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 44.624 90.246 16.673 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 44.873 88.757 16.779 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 37.394 9.834 39.066 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 38.275 10.008 39.397 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 37.024 10.701 38.901 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 32.499 15.031 51.315 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 32.640 14.217 50.831 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 31.548 15.094 51.408 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 29.484 64.451 33.239 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 29.800 65.025 32.540 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 29.166 63.671 32.783 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 22.447 27.343 33.986 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 21.724 27.396 33.361 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 22.289 26.529 34.466 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 76.783 48.112 16.431 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 76.166 48.795 16.169 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 76.536 47.351 15.905 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 72.946 88.526 21.083 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 72.517 87.696 20.879 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 73.325 88.812 20.252 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 52.438 22.141 59.025 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 53.245 22.634 59.169 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 52.075 22.504 58.217 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 40.647 87.320 -8.623 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 40.388 86.623 -8.021 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 41.345 87.787 -8.163 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 50.875 27.125 18.164 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 50.289 27.798 18.508 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 50.973 26.501 18.883 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 87.579 57.301 28.168 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 88.074 57.083 28.958 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 88.212 57.211 27.456 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 52.615 2.572 24.798 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 51.701 2.763 24.591 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 52.576 1.812 25.379 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 77.609 34.939 41.511 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 77.321 35.781 41.866 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 78.423 34.749 41.976 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 22.217 90.751 52.016 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 22.175 91.536 52.561 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 23.128 90.464 52.078 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 53.587 74.645 59.695 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 52.996 75.358 59.938 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 53.082 73.848 59.860 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 75.844 40.369 14.039 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 76.357 40.176 13.254 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 75.927 41.315 14.153 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 51.885 5.435 17.363 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 50.964 5.571 17.141 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 52.355 5.600 16.546 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 79.482 74.984 40.104 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 80.330 74.547 40.177 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 79.295 74.990 39.165 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 33.587 34.873 -10.460 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 33.749 34.025 -10.049 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 32.635 34.924 -10.538 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 20.068 40.455 -13.161 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 20.965 40.760 -13.297 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 20.097 39.987 -12.327 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 26.196 61.402 64.244 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 26.031 61.708 63.352 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 26.619 60.551 64.130 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 84.857 60.671 29.816 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 85.510 61.241 29.409 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 84.058 60.822 29.312 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 25.169 39.928 -11.240 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 24.277 40.220 -11.053 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 25.705 40.351 -10.569 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 43.455 16.346 18.183 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 43.895 16.533 17.354 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 43.130 17.197 18.480 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 39.888 9.091 16.855 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 38.953 9.244 16.717 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 39.925 8.476 17.587 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 53.818 19.351 56.669 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 53.156 19.313 55.978 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 54.472 19.968 56.341 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 47.546 44.052 -4.311 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 46.622 44.160 -4.086 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 47.914 44.933 -4.248 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 68.656 0.502 59.258 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 69.520 0.124 59.422 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 68.048 -0.229 59.371 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 81.436 46.169 35.551 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 81.583 47.007 35.112 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 80.697 45.780 35.083 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 73.999 28.626 12.275 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 74.119 27.997 12.986 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 73.731 29.435 12.711 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 46.304 21.734 -13.569 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 45.858 21.532 -12.747 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 45.730 21.379 -14.248 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 65.745 71.391 16.047 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 65.962 70.596 15.560 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 64.882 71.215 16.422 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 30.532 72.357 61.939 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 29.974 72.763 62.603 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 31.214 71.910 62.441 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 55.791 30.754 9.816 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 55.318 31.150 10.548 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 56.510 31.361 9.639 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 57.257 92.022 65.149 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 57.438 91.593 65.985 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 58.121 92.225 64.791 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 89.973 13.993 34.306 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 89.975 14.937 34.149 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 89.838 13.907 35.249 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 39.234 -0.076 -12.652 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 39.485 0.720 -12.183 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 38.946 -0.678 -11.967 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 37.533 13.736 -17.422 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 38.045 13.769 -18.230 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 38.157 13.962 -16.733 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 79.435 72.749 25.537 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 79.831 72.612 24.676 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 78.538 72.428 25.442 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 85.082 34.370 55.090 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 84.178 34.079 55.206 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 85.556 33.983 55.825 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 71.343 17.936 65.758 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 70.495 17.676 65.398 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 71.253 18.873 65.930 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 80.396 33.947 4.726 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 79.697 34.091 5.364 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 79.951 33.953 3.878 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 78.648 34.306 6.835 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 77.703 34.315 6.683 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 78.768 34.818 7.635 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 38.676 20.073 61.182 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 38.836 19.411 60.510 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 37.948 19.723 61.695 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 53.010 67.980 -5.544 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 52.600 68.839 -5.451 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 53.582 68.067 -6.306 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 83.107 18.695 -11.299 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 82.771 17.946 -10.806 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 82.655 19.451 -10.923 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 22.421 64.165 8.598 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 22.795 63.308 8.802 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 23.061 64.792 8.933 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 23.226 42.814 43.841 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 22.359 43.020 44.190 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 23.792 43.510 44.175 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 84.477 19.941 -17.085 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 84.150 19.516 -17.878 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 85.061 19.294 -16.689 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 69.735 68.333 22.493 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 69.270 67.553 22.796 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 69.073 68.841 22.024 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 39.030 66.083 10.759 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 39.806 66.000 11.313 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 39.303 65.738 9.909 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 85.592 30.174 58.290 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 84.779 30.499 57.904 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 86.006 30.950 58.667 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 64.782 17.866 30.426 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 65.601 18.246 30.109 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 64.098 18.351 29.964 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 79.487 32.993 30.509 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 78.649 33.447 30.415 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 79.712 33.095 31.433 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 40.945 30.562 -4.502 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 41.876 30.645 -4.294 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 40.496 30.883 -3.720 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 35.064 13.322 12.813 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 36.007 13.254 12.664 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 34.961 14.112 13.344 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 55.822 20.862 43.559 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 55.665 21.794 43.713 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 56.771 20.794 43.449 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 56.355 28.984 -12.154 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 55.422 29.166 -12.268 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 56.384 28.278 -11.508 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 23.174 4.962 -13.431 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 22.557 4.274 -13.181 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 22.721 5.454 -14.115 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 49.054 34.723 9.035 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 49.069 34.989 9.954 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 49.352 33.813 9.044 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 70.150 47.521 37.540 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 70.958 47.447 37.031 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 69.984 48.462 37.590 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 88.483 82.173 11.712 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 88.570 82.897 12.333 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 87.624 81.796 11.902 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 28.670 40.638 12.826 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 29.462 40.805 13.337 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 28.749 41.214 12.065 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 30.843 30.820 24.676 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 31.342 30.367 23.996 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 30.234 31.380 24.194 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 24.785 17.856 2.641 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 24.421 18.680 2.316 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 25.639 18.097 3.002 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 86.166 37.661 13.769 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 85.525 36.953 13.825 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 86.292 37.796 12.829 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 35.090 49.501 1.056 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 35.560 49.800 0.278 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 35.778 49.220 1.659 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 21.345 9.748 9.840 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 21.261 10.700 9.900 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 20.564 9.411 10.278 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 67.858 73.484 67.183 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 67.471 72.677 67.521 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 68.150 73.260 66.299 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 22.169 31.159 15.134 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 21.957 32.007 15.523 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 21.465 30.578 15.425 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 52.700 9.838 -4.571 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 53.046 10.554 -5.103 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 52.253 9.268 -5.196 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 76.921 83.680 47.430 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 76.864 83.214 46.596 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 77.585 83.202 47.927 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 32.108 89.620 -12.713 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 32.456 88.730 -12.752 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 31.777 89.709 -11.819 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 21.475 85.247 41.141 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 21.800 84.523 41.676 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 21.568 86.019 41.699 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 37.465 70.901 -10.653 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 38.015 70.754 -11.422 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 37.215 70.023 -10.365 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 39.518 24.183 31.360 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 40.390 24.417 31.678 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 39.209 24.968 30.908 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 23.123 34.406 51.520 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 23.785 35.085 51.390 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 22.427 34.626 50.901 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 87.101 74.031 19.843 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 86.751 74.862 19.522 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 86.366 73.421 19.781 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 25.397 89.698 66.450 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 25.532 89.495 65.524 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 24.522 90.084 66.486 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 39.323 20.467 16.568 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 40.269 20.603 16.625 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 38.962 20.984 17.288 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 71.215 72.898 2.592 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 71.128 71.947 2.651 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 71.760 73.136 3.342 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 65.138 18.235 38.411 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 64.205 18.053 38.516 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 65.211 19.184 38.513 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 50.525 43.457 -6.149 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 50.570 43.517 -5.195 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 50.341 44.352 -6.436 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 66.652 81.906 -11.551 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 66.736 81.291 -12.279 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 67.339 82.555 -11.703 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 34.551 13.308 -12.805 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 34.461 13.413 -13.752 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 33.714 12.938 -12.524 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 81.856 50.367 39.958 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 81.063 49.841 39.853 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 81.862 50.947 39.197 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 49.998 28.839 50.177 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 49.839 29.783 50.186 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 49.132 28.451 50.049 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 23.382 91.792 48.337 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 23.645 90.954 48.717 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 22.752 91.559 47.656 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 36.085 17.425 34.594 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 36.636 18.198 34.471 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 35.448 17.468 33.881 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 21.369 66.770 32.543 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 21.050 66.002 33.017 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 21.331 66.515 31.621 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 51.124 12.667 8.853 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 50.419 13.277 9.071 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 50.755 12.108 8.169 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 44.986 2.094 57.938 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 44.285 1.791 58.515 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 45.634 1.390 57.958 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 71.357 78.624 60.858 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 70.947 77.759 60.847 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 72.273 78.458 60.636 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 29.095 69.918 -6.743 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 29.712 69.922 -7.475 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 29.599 69.569 -6.008 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 50.231 12.502 44.341 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 50.234 11.545 44.344 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 49.311 12.740 44.456 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 22.971 23.448 30.407 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 23.300 24.195 30.906 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 22.620 23.832 29.603 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 38.270 15.786 13.948 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 38.713 16.234 14.669 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 38.979 15.501 13.371 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 84.666 89.924 33.254 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 83.794 89.909 33.649 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 85.142 89.223 33.699 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 66.644 24.187 18.121 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 66.174 25.021 18.118 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 66.936 24.079 19.026 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 66.295 36.310 51.018 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 66.733 35.978 50.234 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 65.638 35.645 51.225 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 77.987 29.362 41.816 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 77.966 29.193 40.874 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 77.087 29.602 42.036 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 55.163 79.783 22.576 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 56.105 79.955 22.574 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 55.061 79.014 23.137 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 84.922 20.780 -9.123 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 85.652 20.180 -8.973 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 84.260 20.247 -9.563 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 22.408 53.573 0.674 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 21.652 53.135 0.282 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 23.056 52.878 0.786 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 22.828 26.236 9.703 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 22.338 26.814 10.288 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 22.964 25.437 10.213 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 78.620 66.739 -1.719 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 79.220 66.396 -2.381 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 78.036 66.007 -1.521 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 61.515 1.131 12.804 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 62.078 0.900 12.066 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 61.975 0.793 13.572 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 59.321 78.362 31.502 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 60.183 78.284 31.911 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 58.878 79.046 32.005 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 40.050 72.757 9.389 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 40.246 72.284 10.198 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 40.653 72.388 8.743 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 50.397 42.714 5.994 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 50.016 42.479 6.840 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 51.239 43.113 6.212 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 22.782 20.471 65.265 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 23.667 20.835 65.249 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 22.207 21.233 65.183 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 25.738 3.279 23.994 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 26.170 2.708 23.358 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 25.910 2.869 24.841 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 54.017 25.924 50.177 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 53.446 26.534 49.709 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 53.530 25.100 50.187 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 57.891 30.028 35.250 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 57.405 30.768 34.888 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 57.843 29.354 34.572 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 72.286 93.253 51.251 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 72.235 92.853 52.119 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 71.993 92.567 50.652 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 22.844 42.674 -5.728 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 22.801 42.129 -4.942 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 22.811 43.573 -5.399 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 45.800 25.436 -4.333 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 45.740 24.643 -4.866 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 45.578 26.146 -4.935 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 54.407 81.162 65.802 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 55.260 80.730 65.845 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 53.818 80.579 66.282 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 68.303 68.457 40.773 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 67.515 68.529 40.234 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 68.459 67.516 40.845 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 36.976 94.533 13.900 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 37.406 95.274 14.326 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 37.172 94.644 12.969 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 90.366 39.344 33.750 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 91.009 38.951 33.160 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 89.520 39.155 33.343 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 33.486 45.732 45.067 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 33.260 45.592 45.986 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 32.759 46.246 44.716 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 58.917 30.727 46.757 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 58.412 31.136 47.460 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 58.416 30.912 45.963 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 59.044 36.076 57.102 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 58.575 36.842 56.772 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 59.767 36.438 57.614 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 87.277 26.919 8.107 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 86.396 27.284 8.194 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 87.191 26.242 7.436 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 52.132 29.205 52.300 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 52.746 29.733 51.788 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 51.715 28.631 51.657 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 61.362 50.411 65.184 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 61.513 49.706 64.556 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 60.523 50.790 64.923 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 44.473 18.570 -11.248 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 43.753 18.512 -10.620 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 44.564 17.681 -11.591 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 89.073 35.454 -13.577 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 89.826 36.036 -13.479 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 89.399 34.728 -14.108 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 81.141 1.517 36.447 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 80.757 2.351 36.716 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 81.578 1.189 37.233 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 75.836 29.406 8.279 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 74.898 29.575 8.367 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 75.890 28.490 8.006 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 80.596 61.269 15.872 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 80.700 62.220 15.912 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 81.475 60.939 15.684 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 67.397 31.733 -2.075 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 67.009 31.223 -1.364 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 67.070 32.622 -1.938 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 47.216 48.502 -7.876 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 46.640 48.928 -8.511 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 47.612 49.224 -7.389 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 75.523 55.864 25.993 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 75.355 55.352 25.202 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 75.435 55.236 26.709 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 44.631 39.301 22.267 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 45.063 38.706 21.654 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 45.264 40.006 22.402 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 31.312 10.579 34.989 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 31.549 9.907 35.629 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 30.366 10.487 34.883 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 55.150 89.734 12.468 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 55.039 89.647 13.415 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 55.842 90.388 12.366 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 30.470 12.025 7.464 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 29.784 11.886 8.117 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 30.765 11.144 7.234 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 33.850 85.815 30.843 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 33.767 84.940 31.222 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 34.286 86.331 31.522 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 29.764 34.902 24.264 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 30.287 34.594 25.005 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 30.410 35.142 23.599 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 81.393 19.480 61.789 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 81.374 20.437 61.766 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 82.320 19.260 61.881 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 34.992 24.254 -17.706 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 34.897 23.302 -17.673 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 34.403 24.530 -18.408 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 32.352 51.572 -1.411 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 32.796 50.763 -1.666 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 32.832 51.877 -0.641 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 23.621 52.035 56.207 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 23.876 51.113 56.166 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 22.711 52.046 55.908 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 81.275 69.623 29.647 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 80.602 69.317 30.255 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 81.445 68.871 29.080 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 26.278 74.608 11.960 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 26.075 73.695 12.162 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 26.061 75.085 12.761 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 40.364 50.594 10.512 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 41.061 51.097 10.932 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 40.081 49.970 11.180 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 63.807 20.838 64.667 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 64.744 20.644 64.704 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 63.451 20.458 65.470 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 55.361 26.751 33.449 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 55.088 26.744 32.531 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 56.072 26.112 33.493 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 46.352 4.294 -0.149 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 45.973 3.423 -0.268 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 45.895 4.652 0.612 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 71.551 50.210 56.144 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 71.077 51.022 55.965 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 72.428 50.360 55.789 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 51.949 50.738 59.854 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 52.834 51.098 59.919 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 52.015 50.058 59.183 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 64.800 22.317 54.961 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 63.921 22.627 54.741 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 65.333 23.111 54.993 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 23.704 78.581 40.540 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 23.888 77.806 40.009 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 24.292 78.502 41.291 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 78.248 56.797 28.552 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 77.295 56.731 28.617 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 78.500 56.075 27.977 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 72.838 74.167 26.662 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 72.512 73.951 27.535 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 72.437 75.012 26.458 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 73.452 27.584 6.781 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 72.884 26.863 6.510 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 73.277 27.688 7.717 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 89.460 79.972 63.408 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 88.782 79.962 64.083 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 90.132 80.561 63.753 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 72.043 92.566 40.495 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 72.284 92.016 41.240 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 71.397 92.050 40.014 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 85.436 28.006 45.480 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 86.124 28.283 46.085 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 85.548 28.570 44.715 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 39.795 7.217 -9.979 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 40.060 7.339 -9.068 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 39.250 7.979 -10.175 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 82.448 45.702 3.178 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 81.526 45.925 3.047 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 82.438 45.034 3.864 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 79.336 40.692 19.733 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 79.769 41.544 19.766 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 78.492 40.867 19.317 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 68.640 20.765 13.367 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 68.624 19.872 13.023 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 68.358 20.677 14.278 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 54.119 71.329 41.617 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 54.663 70.545 41.538 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 53.226 71.016 41.469 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 47.993 89.974 6.117 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 47.913 89.221 5.532 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 47.764 89.632 6.981 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 22.655 47.909 1.979 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 22.417 48.065 1.065 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 23.408 47.320 1.934 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 87.899 11.683 -1.735 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 88.100 10.783 -1.988 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 88.705 12.168 -1.913 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 84.301 76.633 51.285 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 83.580 77.175 51.606 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 83.873 75.883 50.872 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 41.114 18.383 13.393 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 41.945 18.374 13.869 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 41.069 17.525 12.973 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 27.284 38.087 2.234 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 28.050 37.774 2.715 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 27.543 38.042 1.314 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 27.210 43.564 19.946 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 27.975 44.050 19.639 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 26.510 44.216 19.983 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 63.063 19.891 -9.415 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 64.010 20.030 -9.410 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 62.802 19.980 -8.499 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 78.255 42.844 59.578 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 78.281 43.801 59.560 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 77.981 42.594 58.696 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 67.167 94.183 -2.948 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 66.432 94.792 -3.023 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 66.783 93.387 -2.579 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 60.856 58.826 44.668 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 60.022 58.679 44.221 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 60.769 59.697 45.057 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 51.547 9.989 53.083 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 51.060 9.278 52.667 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 51.996 10.428 52.361 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 55.987 55.513 -16.924 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 56.376 54.957 -16.249 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 55.819 54.921 -17.657 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 28.362 92.602 15.877 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 27.725 93.277 15.642 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 29.136 92.811 15.355 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 71.281 32.363 62.720 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 70.891 32.882 63.423 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 71.867 32.971 62.269 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 23.900 69.284 5.580 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 24.621 69.410 6.197 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 24.048 69.942 4.901 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 73.949 38.389 -14.224 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 74.866 38.297 -13.965 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 73.709 37.528 -14.565 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 65.786 58.861 33.487 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 64.976 58.357 33.411 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 65.499 59.744 33.720 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 41.434 43.598 21.506 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 42.274 43.195 21.724 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 41.296 44.251 22.193 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 54.008 22.235 10.693 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 54.223 21.523 11.296 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 54.202 23.033 11.185 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 50.965 17.411 20.024 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 50.056 17.402 19.723 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 51.170 18.339 20.139 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 46.790 41.581 30.944 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 46.380 40.956 30.346 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 46.721 42.423 30.494 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 44.499 22.021 -17.787 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 44.044 22.379 -17.025 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 43.834 21.507 -18.245 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 83.370 77.369 -6.431 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 84.244 77.428 -6.045 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 82.861 78.038 -5.974 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 63.977 63.351 -2.689 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 64.170 64.225 -2.349 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 64.795 62.866 -2.582 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 45.167 93.730 -0.870 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 44.581 94.192 -0.270 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 45.939 94.293 -0.932 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 64.890 22.780 -6.733 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 65.310 22.869 -5.878 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 64.324 22.013 -6.644 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 83.660 28.788 0.867 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 83.975 29.176 0.051 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 83.655 29.514 1.491 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 71.881 39.429 53.695 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 71.173 39.135 53.122 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 72.015 38.702 54.304 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 62.034 16.522 18.668 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 62.866 16.539 19.142 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 61.799 17.444 18.563 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 55.664 50.004 45.932 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 56.183 49.267 46.254 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 55.930 50.743 46.481 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 68.689 45.621 36.296 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 69.184 46.279 36.784 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 68.056 46.126 35.786 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 76.578 5.428 60.115 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 77.312 5.908 59.732 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 75.874 6.074 60.173 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 49.918 42.193 40.606 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 49.518 41.343 40.419 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 49.507 42.794 39.985 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 54.911 29.335 32.092 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 54.903 28.864 32.925 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 54.655 30.229 32.320 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 73.228 86.951 51.882 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 72.672 86.426 52.458 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 73.515 86.340 51.203 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 30.660 92.543 21.867 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 30.278 92.126 21.094 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 30.344 92.019 22.603 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 63.208 14.427 15.004 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 62.263 14.275 15.031 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 63.301 15.374 15.108 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 66.892 35.059 -11.328 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 67.390 35.344 -12.094 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 66.990 35.773 -10.698 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 74.246 35.235 3.896 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 73.325 35.116 4.130 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 74.724 34.679 4.512 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 41.393 35.328 11.324 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 41.067 35.863 12.048 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 42.325 35.214 11.511 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 86.067 94.915 -1.707 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 86.221 94.703 -2.628 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 85.125 94.794 -1.588 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 35.044 64.139 21.147 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 35.136 65.091 21.127 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 35.628 63.826 20.456 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 38.905 82.944 57.946 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 38.228 82.515 57.422 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 39.679 82.946 57.384 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 48.441 22.596 38.510 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 47.552 22.257 38.398 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 48.524 23.275 37.840 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 53.052 84.556 59.505 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 53.183 85.471 59.255 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 52.103 84.464 59.591 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 84.385 28.669 66.584 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 84.495 29.418 65.999 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 84.728 28.969 67.426 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 27.519 44.907 -7.700 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 27.184 44.101 -7.307 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 26.801 45.534 -7.612 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 85.409 50.208 -13.237 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 86.300 50.032 -13.540 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 84.976 49.355 -13.255 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 35.772 48.258 -7.612 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 35.014 48.499 -7.080 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 35.827 48.944 -8.277 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 90.473 39.379 41.221 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 89.661 39.381 41.728 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 91.002 40.074 41.612 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 73.317 35.897 25.039 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 74.245 35.673 25.113 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 73.267 36.462 24.268 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 83.500 56.902 18.637 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 82.871 57.583 18.878 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 83.842 56.586 19.473 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 75.273 72.101 34.010 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 74.356 72.266 33.792 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 75.544 71.412 33.403 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 26.339 24.273 40.489 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 26.596 25.181 40.650 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 25.458 24.335 40.118 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 68.404 41.619 10.713 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 67.899 40.987 11.224 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 68.667 42.286 11.348 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 55.009 56.643 14.475 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 55.578 56.559 15.241 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 54.238 57.109 14.799 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 64.542 69.835 24.167 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 64.385 68.914 23.959 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 63.674 70.188 24.362 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 26.793 91.607 4.482 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 27.457 91.851 3.837 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 27.190 91.819 5.327 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 79.195 48.833 -7.788 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 79.338 49.267 -6.947 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 79.056 47.913 -7.562 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 70.290 29.811 64.922 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 71.144 30.171 65.162 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 69.659 30.367 65.379 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 74.260 7.789 -17.404 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 73.650 8.387 -16.972 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 74.905 7.576 -16.729 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 59.640 79.931 54.041 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 58.707 79.737 54.124 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 59.756 80.157 53.118 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 88.233 22.073 60.866 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 87.412 22.431 60.529 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 88.333 21.235 60.414 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 45.148 62.766 11.432 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 45.891 62.860 12.028 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 45.067 63.623 11.014 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 20.828 62.980 -7.025 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 20.365 62.483 -7.700 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 20.848 63.877 -7.359 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 50.421 55.000 2.344 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 51.278 55.397 2.186 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 50.618 54.099 2.601 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 51.747 62.697 18.041 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 52.159 63.126 18.791 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 52.434 62.137 17.679 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 86.114 50.349 27.914 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 86.727 50.031 28.577 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 85.942 49.587 27.361 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 39.870 30.521 25.977 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 40.696 30.474 26.459 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 39.352 31.170 26.453 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 48.180 54.808 40.320 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 48.213 55.706 39.989 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 48.044 54.906 41.263 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 68.420 91.126 25.667 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 69.240 90.892 26.103 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 68.687 91.683 24.936 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 38.688 55.273 -5.185 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 37.736 55.327 -5.099 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 39.024 55.609 -4.353 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 83.969 19.043 62.621 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 84.144 19.647 63.342 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 84.263 18.191 62.945 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 76.634 57.077 54.438 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 77.554 57.339 54.416 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 76.655 56.121 54.384 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 55.299 50.796 62.704 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 56.109 50.713 62.201 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 55.399 50.176 63.426 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 31.391 40.956 9.975 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 31.469 40.977 9.021 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 30.490 41.229 10.149 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 71.296 1.746 -18.113 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 71.338 2.460 -17.477 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 70.875 2.132 -18.881 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 26.076 87.179 -5.583 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 26.675 87.215 -6.330 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 25.966 86.244 -5.410 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 77.952 58.322 9.604 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 78.101 58.528 10.527 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 77.317 57.607 9.616 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 26.577 30.917 -0.155 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 27.243 31.559 -0.402 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 26.195 31.266 0.651 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 41.984 4.384 4.882 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 42.462 3.970 5.601 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 42.204 3.858 4.113 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 22.890 39.295 -7.218 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 23.664 38.987 -7.690 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 23.141 39.255 -6.295 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 46.979 83.935 23.887 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 46.689 83.026 23.815 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 47.555 83.944 24.652 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 69.311 45.140 -19.936 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 69.674 44.910 -19.081 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 69.206 46.091 -19.905 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 63.711 33.438 -7.329 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 62.987 32.893 -7.022 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 64.455 32.838 -7.386 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 84.066 42.547 19.046 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 84.905 42.795 18.658 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 83.659 41.976 18.394 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 44.653 42.476 47.659 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 44.762 41.629 47.225 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 44.785 43.120 46.964 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 78.304 60.850 44.217 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 78.420 61.231 45.087 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 79.167 60.504 43.989 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 39.121 64.859 -12.303 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 39.505 64.390 -13.044 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 39.321 64.313 -11.543 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 73.404 19.255 11.143 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 73.618 19.631 11.997 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 72.649 19.761 10.841 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 52.548 48.774 -2.791 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 51.904 49.056 -2.142 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 53.267 48.411 -2.274 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 55.633 94.118 32.074 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 56.179 93.695 31.411 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 55.240 93.393 32.559 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 79.509 6.598 41.045 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 78.969 6.887 40.309 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 79.670 7.394 41.552 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 65.444 28.284 -17.357 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 64.859 28.822 -17.891 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 64.865 27.845 -16.734 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 55.138 69.798 11.016 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 55.988 70.233 11.082 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 55.339 68.865 11.095 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 72.143 23.215 20.430 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 72.615 22.389 20.534 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 71.669 23.118 19.604 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 56.512 63.942 -16.711 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 56.940 63.094 -16.827 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 55.913 63.809 -15.976 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 71.620 52.386 21.242 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 70.820 52.903 21.144 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 72.002 52.689 22.066 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 34.438 84.894 -8.226 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 33.932 85.387 -7.581 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 33.797 84.639 -8.890 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 54.003 93.730 37.011 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 53.996 92.773 36.976 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 53.078 93.976 37.034 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 89.722 31.562 14.405 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 89.713 31.747 13.466 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 90.186 32.305 14.792 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 78.728 55.608 -2.249 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 79.657 55.379 -2.278 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 78.471 55.454 -1.340 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 69.244 50.743 4.402 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 68.344 50.915 4.125 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 69.155 50.257 5.221 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 76.909 26.693 34.746 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 76.352 26.130 34.207 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 76.470 27.543 34.736 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 70.496 57.247 38.161 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 70.194 56.392 37.853 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 69.906 57.875 37.742 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 84.070 72.776 23.106 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 84.297 71.871 23.318 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 84.855 73.129 22.687 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 61.892 20.056 44.757 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 61.665 20.220 43.842 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 61.255 20.565 45.258 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 51.193 22.838 -1.299 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 50.488 22.262 -1.596 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 50.872 23.722 -1.478 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 35.036 28.072 39.256 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 34.733 27.292 39.723 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 34.334 28.711 39.375 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 76.192 43.425 42.622 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 76.988 43.444 42.092 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 76.237 44.221 43.152 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 40.780 81.507 5.169 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 40.200 81.315 4.433 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 41.508 81.994 4.780 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 67.188 23.590 37.870 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 67.880 23.954 38.423 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 66.540 23.252 38.487 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 42.149 61.064 55.533 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 42.528 60.955 54.661 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 41.324 60.579 55.498 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 20.936 44.241 9.382 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 20.553 45.023 8.986 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 20.453 43.513 8.990 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 46.917 89.489 50.772 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 46.746 88.572 50.557 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 46.936 89.512 51.728 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 43.492 65.669 -17.316 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 43.717 66.197 -18.082 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 44.212 65.044 -17.235 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 85.796 41.926 4.492 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 85.845 42.880 4.434 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 86.656 41.661 4.820 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 22.359 5.813 36.384 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 22.715 5.541 35.538 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 22.131 4.994 36.824 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 77.609 24.994 55.437 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 77.675 24.183 54.933 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 76.732 25.326 55.242 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 53.418 40.140 1.749 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 53.485 39.222 2.010 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 52.747 40.505 2.326 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 86.070 6.713 5.244 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 86.053 6.138 4.479 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 86.623 7.448 4.979 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 82.277 67.150 -1.152 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 82.310 67.811 -1.844 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 81.717 66.459 -1.506 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 51.928 32.057 13.986 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 51.166 31.898 13.429 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 51.594 32.601 14.700 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 81.976 51.067 -7.329 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 81.632 51.459 -6.526 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 82.913 51.260 -7.308 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 41.336 32.864 50.897 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 41.430 33.472 50.164 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 42.200 32.848 51.308 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 27.922 19.523 21.011 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 27.021 19.777 21.211 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 28.374 19.560 21.854 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 73.557 56.882 51.255 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 74.076 56.558 50.519 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 72.952 57.512 50.863 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 43.222 29.960 0.657 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 43.611 29.393 -0.008 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 43.969 30.303 1.148 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 36.723 94.441 65.479 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 37.651 94.462 65.712 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 36.554 93.528 65.248 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 35.104 64.037 46.277 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 36.033 64.258 46.207 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 34.984 63.310 45.665 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 86.247 61.490 12.854 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 86.769 60.698 12.725 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 85.473 61.360 12.307 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 25.704 41.033 -13.692 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 26.461 41.380 -13.220 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 25.401 40.301 -13.155 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 71.586 1.465 29.648 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 72.250 1.877 29.095 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 72.030 0.708 30.032 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 71.763 83.343 -8.839 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 72.213 84.184 -8.931 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 70.839 83.548 -8.982 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 29.022 61.859 32.303 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 29.313 61.339 31.554 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 29.504 61.500 33.047 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 40.239 86.205 7.687 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 39.793 85.391 7.456 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 39.536 86.852 7.755 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 29.370 26.977 57.068 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 30.157 26.561 56.715 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 29.583 27.155 57.984 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 46.042 48.480 8.570 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 46.395 49.187 8.030 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 46.403 48.640 9.442 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 62.831 33.349 -2.016 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 62.505 33.349 -1.116 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 63.367 34.139 -2.077 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 62.926 92.641 22.041 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 62.980 93.288 22.745 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 63.059 91.800 22.478 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 50.018 32.313 1.372 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 49.071 32.187 1.316 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 50.333 31.553 1.861 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 52.979 41.009 -1.289 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 53.466 41.828 -1.204 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 53.327 40.450 -0.594 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 61.397 0.691 27.613 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 60.612 0.904 28.118 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 61.829 0.003 28.119 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 58.365 42.636 -6.692 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 57.959 42.924 -5.875 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 57.737 42.881 -7.372 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 53.573 41.189 34.441 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 53.421 40.359 33.989 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 52.746 41.662 34.358 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 34.473 15.298 61.632 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 34.267 14.407 61.349 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 33.945 15.859 61.064 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 79.562 88.149 -14.798 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 80.462 88.154 -15.125 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 79.054 88.575 -15.487 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 73.806 69.300 40.191 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 73.123 68.712 39.870 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 73.387 70.161 40.222 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 60.814 61.791 26.917 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 60.174 61.126 26.665 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 60.385 62.624 26.723 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 56.415 86.299 32.450 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 55.733 85.655 32.257 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 56.284 86.990 31.801 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 70.467 30.315 60.808 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 70.565 30.866 61.584 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 70.958 29.520 61.016 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 43.780 38.243 -18.365 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 44.661 37.873 -18.406 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 43.568 38.254 -17.431 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 55.624 3.121 51.434 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 55.167 3.661 52.078 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 54.965 2.491 51.139 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 29.233 81.914 65.511 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 28.921 82.581 66.123 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 29.456 82.402 64.718 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 61.778 86.338 -9.487 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 61.245 86.715 -8.787 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 61.312 85.541 -9.739 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 38.773 88.382 18.745 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 39.545 88.686 19.222 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 38.959 87.464 18.546 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 52.064 48.751 50.865 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 52.721 49.201 50.334 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 51.255 48.826 50.358 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 31.621 58.021 59.026 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 31.403 57.309 58.424 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 32.525 58.250 58.808 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 66.671 60.261 17.190 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 66.293 60.672 17.968 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 65.974 59.698 16.854 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 85.001 47.231 8.967 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 84.558 48.040 8.711 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 84.986 46.689 8.178 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 55.139 3.291 36.001 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 55.189 2.380 36.292 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 56.035 3.618 36.083 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 70.910 74.296 -14.324 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 70.691 74.125 -13.408 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 71.626 74.931 -14.285 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 34.827 55.362 20.729 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 35.343 54.786 21.293 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 35.378 55.499 19.958 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 80.453 26.132 9.403 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 79.547 26.304 9.658 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 80.778 25.523 10.067 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 67.967 18.246 25.941 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 68.304 19.075 25.601 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 67.124 18.132 25.503 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 46.844 4.796 65.671 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 46.093 4.607 66.234 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 47.579 4.898 66.276 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 54.725 68.934 29.409 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 53.811 68.856 29.136 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 55.183 68.257 28.911 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 51.895 53.389 -0.600 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 52.300 54.131 -0.152 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 51.114 53.756 -1.015 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 26.284 50.798 23.679 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 25.820 50.024 23.997 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 27.190 50.508 23.570 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 38.921 84.506 -3.988 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 38.356 85.253 -3.787 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 39.804 84.874 -4.018 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 82.994 34.484 67.232 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 82.381 34.962 66.672 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 82.727 34.706 68.124 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 65.816 65.347 2.648 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 66.534 65.677 3.188 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 65.326 66.129 2.395 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 41.859 76.408 19.821 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 41.937 75.555 20.249 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 41.309 76.242 19.055 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 39.242 91.394 23.318 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 38.523 90.996 23.810 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 39.090 92.336 23.391 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 57.790 29.046 63.056 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 56.846 28.928 63.161 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 58.139 28.156 63.006 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 36.711 37.100 63.033 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 37.082 37.085 63.916 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 36.212 37.917 62.997 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 42.752 33.691 33.574 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 42.393 34.352 32.983 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 43.481 34.130 34.011 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 80.706 93.129 28.353 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 81.568 93.475 28.119 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 80.190 93.903 28.579 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 78.088 1.737 61.566 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 78.813 1.797 60.945 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 77.787 0.831 61.496 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 57.692 48.398 61.754 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 58.585 48.525 61.432 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 57.147 48.908 61.154 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 87.903 5.842 -14.077 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 88.848 5.990 -14.040 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 87.724 5.251 -13.346 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 39.203 67.914 56.294 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 39.847 67.236 56.497 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 38.539 67.465 55.771 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 49.528 36.381 66.126 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 49.622 37.071 65.469 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 49.535 36.845 66.963 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 56.090 56.504 10.307 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 56.629 56.265 11.062 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 56.579 56.181 9.551 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 29.163 68.609 41.480 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 29.416 67.840 41.990 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 29.071 68.284 40.584 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 34.692 63.850 7.703 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 35.082 63.448 8.479 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 35.438 64.068 7.145 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 31.722 62.353 39.170 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 31.459 63.189 38.784 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 32.658 62.286 38.980 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 28.558 33.795 49.632 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 28.043 32.997 49.514 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 29.201 33.568 50.304 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 55.610 8.241 29.664 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 56.489 8.326 30.033 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 55.753 7.909 28.778 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 81.605 58.317 22.712 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 81.552 57.416 23.030 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 81.212 58.288 21.840 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 79.929 49.155 63.927 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 79.495 48.648 63.240 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 80.370 49.864 63.459 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 53.295 82.912 -4.735 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 52.719 82.714 -5.473 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 54.036 82.315 -4.842 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 78.492 50.201 57.905 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 78.899 51.067 57.927 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 77.917 50.225 57.140 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 32.177 0.143 28.458 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 32.219 -0.530 27.778 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 32.086 0.965 27.976 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 64.033 75.621 33.055 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 63.780 74.936 32.436 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 64.243 75.151 33.862 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 82.245 36.168 10.721 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 81.886 36.194 11.608 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 82.873 35.446 10.738 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 50.949 9.074 -8.857 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 51.610 8.746 -9.467 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 50.435 9.697 -9.371 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 51.625 28.629 -1.786 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 51.467 27.781 -1.370 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 51.143 29.255 -1.245 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 43.212 13.298 20.319 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 44.079 13.530 20.652 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 43.184 13.675 19.440 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 85.733 37.672 2.224 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 85.977 37.522 1.311 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 86.389 38.288 2.549 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 73.633 89.615 26.937 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 74.280 90.230 27.284 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 72.796 89.926 27.283 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 69.745 73.119 6.138 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 70.053 73.896 6.605 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 69.196 72.660 6.773 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 71.732 -0.022 54.348 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 71.490 0.597 53.659 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 70.939 -0.536 54.497 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 29.236 1.512 -19.400 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 29.682 1.307 -20.222 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 28.893 0.671 -19.098 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 38.728 37.657 -2.137 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 38.968 37.576 -3.060 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 39.451 38.144 -1.743 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 66.347 85.468 -4.449 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 67.213 85.869 -4.525 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 66.490 84.545 -4.658 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 51.453 29.926 20.458 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 50.810 29.222 20.543 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 51.006 30.597 19.941 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 42.345 83.879 56.693 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 42.820 84.154 57.478 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 43.030 83.684 56.054 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 49.488 85.857 64.043 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 48.679 85.345 64.032 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 49.450 86.349 64.863 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 22.811 77.423 58.964 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 22.314 77.317 59.776 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 22.205 77.862 58.367 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 66.879 70.503 22.468 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 66.257 70.087 23.064 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 67.068 69.831 21.812 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 65.850 60.801 -16.111 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 66.516 60.782 -15.424 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 66.223 60.278 -16.820 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 37.851 63.549 16.426 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 38.734 63.904 16.325 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 37.987 62.639 16.690 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 49.231 93.897 -7.077 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 48.299 93.696 -6.989 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 49.570 93.864 -6.183 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 29.564 -0.089 16.568 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 29.586 0.732 17.060 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 28.987 -0.659 17.076 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 51.186 42.182 57.504 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 51.382 43.110 57.629 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 51.297 41.795 58.373 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 77.679 21.146 -19.549 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 76.874 21.615 -19.332 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 77.990 20.802 -18.711 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 36.835 5.989 -14.759 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 36.639 5.391 -15.481 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 37.662 5.667 -14.400 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 44.685 23.413 64.713 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 45.088 24.261 64.526 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 44.152 23.225 63.940 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 29.791 34.061 -5.748 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 28.976 33.618 -5.510 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 29.616 34.439 -6.610 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 76.098 67.669 -10.389 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 76.308 68.571 -10.147 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 76.069 67.197 -9.557 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 49.057 14.557 8.879 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 49.217 15.416 9.270 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 48.668 14.751 8.027 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 77.235 81.153 6.883 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 77.695 80.533 7.450 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 77.756 81.954 6.931 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 83.368 9.264 62.925 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 84.320 9.343 62.861 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 83.168 8.430 62.500 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 31.420 1.762 49.615 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 31.728 1.125 48.970 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 31.533 2.610 49.186 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 28.935 88.623 52.813 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 29.195 88.178 52.007 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 29.757 88.941 53.187 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 58.873 58.813 38.014 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 58.439 59.230 37.269 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 59.040 57.916 37.723 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 59.842 28.602 60.255 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 60.737 28.539 60.589 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 59.565 29.491 60.477 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 85.750 80.719 61.040 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 85.417 81.604 60.888 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 85.227 80.387 61.769 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 88.094 59.608 9.131 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 88.737 60.050 8.577 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 87.699 58.949 8.560 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 35.022 92.231 65.046 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 34.577 92.804 64.422 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 34.680 92.495 65.900 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 27.081 69.471 57.058 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 26.328 68.972 56.741 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 27.130 70.228 56.475 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 68.368 2.875 11.413 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 68.631 2.141 10.856 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 69.041 3.540 11.266 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 37.841 35.406 26.128 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 37.017 35.195 25.689 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 38.029 36.307 25.866 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 24.758 45.618 4.471 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 25.600 45.963 4.769 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 24.114 46.254 4.782 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 22.302 4.797 -9.938 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 22.503 4.250 -9.178 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 22.990 5.463 -9.944 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 57.942 40.072 -0.793 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 57.244 39.504 -0.467 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 57.525 40.927 -0.899 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 36.037 26.258 -1.000 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 36.454 26.478 -0.168 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 36.312 25.358 -1.177 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 38.380 44.988 59.870 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 37.942 44.320 59.343 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 37.702 45.641 60.043 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 39.142 69.690 18.548 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 39.736 68.967 18.750 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 39.470 70.047 17.723 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 76.308 80.895 56.505 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 76.054 80.267 57.180 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 75.683 80.750 55.795 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 56.711 29.822 29.170 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 56.035 30.105 28.555 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 56.233 29.352 29.853 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 71.814 23.144 46.433 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 71.141 23.113 47.112 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 72.127 22.242 46.364 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 89.742 30.069 -5.575 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 89.178 30.555 -4.973 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 89.144 29.724 -6.239 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 23.379 75.662 21.005 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 23.527 74.741 20.791 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 22.431 75.775 20.940 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 34.529 51.488 17.234 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 35.257 51.985 16.862 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 33.749 51.863 16.826 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 45.731 25.907 41.176 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 45.999 25.736 42.078 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 45.567 26.850 41.149 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 50.996 70.663 -16.019 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 50.476 69.970 -15.613 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 50.778 71.450 -15.520 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 69.128 94.742 41.611 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 69.414 95.559 42.020 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 69.262 94.076 42.286 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 58.334 16.575 52.276 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 59.270 16.374 52.303 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 58.148 16.963 53.131 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 39.265 77.163 27.415 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 40.183 77.329 27.199 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 39.295 76.685 28.243 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 53.010 61.299 58.926 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 52.900 61.059 58.006 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 53.895 61.659 58.976 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 78.792 73.409 65.818 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 78.851 74.227 65.324 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 78.236 73.620 66.568 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 69.678 55.332 58.849 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 69.150 55.566 59.613 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 69.040 55.060 58.190 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 64.612 86.874 -6.236 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 65.285 86.298 -5.873 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 65.075 87.688 -6.436 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 35.627 70.625 17.241 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 35.553 70.030 17.988 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 36.568 70.773 17.146 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 75.917 47.778 -9.979 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 75.289 47.589 -9.282 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 76.431 48.514 -9.647 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 39.367 4.575 4.193 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 38.874 4.190 4.918 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 40.270 4.609 4.509 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 44.111 39.435 30.558 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 44.139 39.529 29.606 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 44.230 38.498 30.711 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 48.915 47.056 -13.015 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 48.905 46.206 -12.576 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 48.063 47.442 -12.812 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 67.028 56.223 49.499 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 66.128 55.903 49.443 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 67.560 55.430 49.575 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 39.241 12.283 41.491 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 39.810 11.948 40.798 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 39.841 12.682 42.121 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 52.674 1.550 45.728 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 51.758 1.329 45.897 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 52.830 2.340 46.246 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 54.520 6.612 3.388 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 54.867 6.071 2.679 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 53.940 6.026 3.875 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 57.590 19.155 13.678 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 56.867 18.963 13.081 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 58.184 18.410 13.584 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 70.303 69.325 66.801 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 69.745 68.647 67.181 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 70.085 70.118 67.290 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 25.485 15.315 36.960 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 26.395 15.460 37.222 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 24.968 15.699 37.668 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 64.972 83.074 25.297 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 65.486 82.557 25.917 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 65.228 82.742 24.437 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 50.699 87.277 -11.873 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 49.951 87.550 -12.404 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 50.341 87.165 -10.993 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 50.197 92.288 58.960 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 49.370 92.192 58.489 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 50.764 91.610 58.591 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 31.477 2.624 27.807 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 30.639 2.503 27.360 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 31.538 3.568 27.953 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 70.853 65.748 27.171 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 70.562 66.507 26.666 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 70.776 65.012 26.564 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 51.617 19.513 54.107 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 50.958 18.963 54.531 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 51.839 19.044 53.303 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 83.928 42.699 10.840 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 84.684 42.514 11.397 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 83.229 42.150 11.195 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 27.086 31.534 -16.727 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 26.777 32.192 -17.349 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 27.997 31.377 -16.975 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 35.134 19.299 19.747 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 34.721 19.718 18.991 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 36.025 19.649 19.758 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 85.864 29.146 42.315 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 84.919 29.284 42.261 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 86.238 30.027 42.288 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 37.379 32.103 12.890 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 37.370 32.636 13.685 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 37.259 31.206 13.201 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 32.376 50.444 12.715 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 33.158 50.222 12.211 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 32.165 51.339 12.450 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 72.224 23.088 -4.461 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 72.197 23.488 -3.592 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 71.925 23.779 -5.053 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 66.581 89.629 16.987 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 66.694 89.202 17.837 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 65.662 89.482 16.765 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 69.537 55.463 62.698 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 69.024 56.246 62.498 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 70.230 55.773 63.282 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 38.117 16.795 37.946 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 38.499 17.071 37.113 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 38.365 15.874 38.030 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 35.021 91.389 32.151 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 35.435 91.488 33.008 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 34.560 90.552 32.203 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 29.061 37.940 10.857 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 29.164 38.822 11.216 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 29.758 37.431 11.270 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 44.174 25.043 60.496 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 43.748 25.305 61.312 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 45.108 25.172 60.660 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 60.847 90.550 -19.385 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 60.193 91.209 -19.152 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 60.521 90.166 -20.200 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 35.816 89.373 47.923 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 36.718 89.694 47.944 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 35.767 88.747 48.646 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 23.971 64.915 -0.089 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 23.916 64.006 0.205 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 24.909 65.107 -0.103 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 87.797 23.946 38.654 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 87.239 24.566 39.123 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 88.651 24.020 39.081 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 68.890 60.282 34.242 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 68.232 60.859 33.856 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 68.766 59.444 33.798 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 65.486 47.254 53.068 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 65.125 47.694 53.837 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 64.767 47.243 52.437 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 89.643 7.709 8.939 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 90.067 6.868 9.106 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 88.743 7.482 8.704 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 59.657 23.266 61.038 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 59.263 22.648 60.422 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 59.713 24.088 60.550 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 45.861 84.791 33.265 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 45.552 85.234 32.475 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 45.722 83.861 33.088 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 37.392 12.577 -13.271 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 36.591 12.602 -12.747 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 37.096 12.340 -14.150 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 23.747 53.798 7.598 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 24.369 54.088 8.265 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 24.295 53.452 6.894 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 71.961 18.225 46.391 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 71.700 18.174 45.472 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 72.778 17.728 46.437 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 55.742 39.186 -18.442 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 55.781 40.137 -18.341 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 55.789 38.847 -17.548 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 51.645 78.695 -12.355 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 52.003 77.810 -12.420 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 50.909 78.702 -12.967 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 49.277 95.376 13.951 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 48.665 95.920 13.456 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 50.141 95.632 13.628 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 84.182 25.905 -7.017 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 84.995 25.483 -7.294 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 83.701 25.218 -6.555 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 35.638 33.849 -17.296 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 36.362 33.571 -16.736 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 36.026 34.493 -17.888 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 89.328 47.910 34.948 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 89.211 47.366 34.168 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 88.917 47.410 35.653 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 78.999 38.798 26.711 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 79.561 39.573 26.700 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 78.734 38.680 25.799 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 47.240 18.399 21.829 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 46.472 18.879 22.138 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 47.906 19.073 21.693 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 36.145 40.136 11.267 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 35.504 39.940 10.584 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 36.578 40.935 10.967 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 33.525 78.322 65.016 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 34.216 77.665 64.936 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 33.154 78.388 64.136 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 82.615 46.860 -4.642 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 82.275 47.571 -4.099 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 82.821 47.275 -5.480 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 77.973 12.134 46.339 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 77.599 12.570 45.573 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 78.871 12.463 46.387 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 84.515 88.132 55.259 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 84.586 88.570 56.108 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 85.044 87.340 55.353 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 23.109 68.682 51.826 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 23.194 69.307 52.546 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 23.784 68.944 51.199 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 60.982 48.082 -11.524 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 61.009 48.674 -10.772 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 61.003 47.205 -11.140 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 43.909 84.221 19.720 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 43.187 84.207 19.093 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 43.970 83.319 20.036 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 59.543 95.324 17.546 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 59.963 94.516 17.249 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 59.360 95.809 16.741 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 24.458 80.728 17.971 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 24.684 79.855 17.649 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 23.579 80.890 17.629 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 64.979 27.857 7.847 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 64.438 27.151 8.200 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 64.536 28.117 7.038 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 21.075 21.087 34.964 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 20.840 20.202 34.686 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 21.442 21.496 34.179 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 57.778 86.929 36.791 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 57.563 85.996 36.801 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 58.223 87.082 37.625 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 25.212 61.182 -12.188 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 26.029 61.674 -12.270 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 25.048 61.145 -11.245 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 25.937 90.037 63.426 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 26.550 90.771 63.391 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 25.144 90.367 63.003 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 37.200 64.369 13.535 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 37.287 64.602 14.459 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 37.791 63.625 13.418 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 35.781 72.231 -13.603 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 36.396 72.562 -14.257 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 36.235 71.493 -13.196 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 76.630 28.960 11.192 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 76.396 28.587 10.342 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 75.815 28.942 11.694 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 31.883 90.121 49.437 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 32.277 89.999 48.574 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 32.230 89.401 49.964 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 33.057 90.533 -19.850 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 32.988 90.299 -18.925 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 33.374 89.737 -20.277 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 81.409 88.355 -8.659 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 80.931 88.881 -8.018 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 81.325 88.842 -9.479 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 24.938 43.823 15.815 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 25.831 43.770 16.156 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 24.395 43.974 16.588 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 29.302 31.884 60.418 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 29.525 30.954 60.456 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 28.423 31.905 60.039 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 41.544 4.963 -3.832 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 42.057 5.639 -3.389 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 40.708 5.385 -4.028 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 67.082 31.401 31.278 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 67.362 31.475 32.190 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 66.915 30.467 31.153 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 38.170 93.455 20.435 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 37.641 94.228 20.633 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 37.561 92.720 20.515 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 52.938 85.039 -14.521 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 52.954 85.541 -13.707 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 53.800 85.184 -14.910 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 29.766 43.557 45.855 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 30.092 44.412 45.574 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 28.825 43.590 45.682 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 40.743 33.115 30.374 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 40.003 33.714 30.276 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 41.512 33.647 30.169 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 77.070 56.458 18.347 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 78.010 56.397 18.178 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 76.970 57.261 18.858 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 64.778 52.808 63.722 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 64.670 51.857 63.694 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 64.599 53.044 64.632 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 35.751 54.712 46.146 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 35.973 55.167 45.334 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 36.593 54.569 46.579 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 44.096 48.450 47.106 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 44.765 47.766 47.108 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 44.286 48.969 46.324 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 58.548 5.698 10.342 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 57.928 5.252 10.919 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 58.073 6.468 10.028 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 57.462 32.864 16.238 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 58.101 33.566 16.358 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 57.347 32.804 15.289 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 70.465 34.307 31.939 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 70.166 33.983 31.089 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 69.799 34.943 32.201 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 30.664 67.571 37.468 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 30.754 67.125 36.626 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 31.293 68.291 37.427 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 31.543 89.272 32.064 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 31.320 89.024 31.167 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 30.739 89.124 32.561 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 88.794 75.240 29.240 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 89.220 74.401 29.068 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 88.804 75.692 28.396 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 39.614 20.843 44.621 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 40.436 20.618 44.186 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 39.133 21.360 43.975 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 90.053 52.818 42.595 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 90.395 52.589 41.731 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 90.520 52.240 43.198 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 90.731 55.707 19.831 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 90.079 55.661 19.132 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 90.703 54.842 20.241 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 80.454 82.876 33.810 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 79.699 83.277 34.240 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 80.126 82.602 32.954 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 73.570 45.459 11.367 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 73.991 44.638 11.114 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 74.018 45.722 12.171 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 87.197 56.249 4.744 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 87.056 55.316 4.905 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 86.432 56.677 5.130 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 24.705 52.374 -18.271 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 24.001 52.998 -18.451 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 24.291 51.692 -17.742 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 21.073 20.765 6.179 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 21.403 20.988 7.049 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 21.793 20.290 5.764 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 87.407 72.251 -15.708 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 86.545 72.630 -15.535 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 87.600 71.731 -14.928 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 56.530 60.529 -11.376 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 57.236 60.340 -10.757 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 56.914 60.364 -12.236 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 56.093 35.699 15.184 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 55.362 35.100 15.340 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 56.323 36.028 16.053 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 71.767 43.113 4.411 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 72.186 42.788 5.208 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 70.830 43.080 4.602 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 87.376 28.351 62.874 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 86.477 28.210 62.579 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 87.719 29.023 62.285 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 32.224 32.461 11.063 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 32.059 33.283 10.601 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 32.979 32.080 10.614 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 21.930 61.458 39.657 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 21.323 62.132 39.962 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 22.344 61.840 38.883 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 29.614 4.577 24.906 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 28.860 4.996 25.322 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 29.308 4.352 24.027 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 28.710 18.434 57.129 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 29.303 19.084 57.507 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 29.020 17.597 57.474 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 57.903 58.352 67.127 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 57.364 59.028 67.537 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 57.275 57.696 66.823 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 28.419 50.295 36.717 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 28.869 51.135 36.628 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 29.077 49.708 37.088 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 24.904 57.254 32.220 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 25.861 57.234 32.190 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 24.632 56.515 31.675 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 32.497 57.953 1.772 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 32.820 58.854 1.765 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 33.016 57.517 2.447 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 55.359 23.968 5.475 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 56.197 24.314 5.783 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 54.748 24.152 6.188 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 81.879 26.056 59.761 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 81.564 26.822 59.282 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 81.398 26.075 60.588 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 41.203 51.462 46.562 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 41.869 52.102 46.313 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 41.523 51.089 47.384 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 61.141 3.300 -1.515 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 61.963 3.646 -1.863 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 60.501 3.994 -1.676 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 47.927 11.259 -17.536 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 47.679 10.673 -18.251 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 47.190 11.864 -17.456 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 39.303 13.899 -2.786 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 38.376 13.664 -2.739 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 39.303 14.845 -2.938 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 37.053 31.701 55.320 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 36.167 31.811 55.663 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 36.942 31.156 54.541 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 78.103 31.311 64.496 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 78.110 31.931 63.767 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 77.185 31.268 64.765 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 24.431 64.024 3.956 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 25.126 63.376 3.841 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 24.802 64.838 3.614 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 71.953 15.394 -17.209 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 72.589 15.424 -17.924 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 71.379 16.144 -17.367 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 48.350 71.775 -2.557 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 48.253 71.329 -1.715 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 47.616 72.388 -2.590 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 48.164 55.154 8.512 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 48.523 54.595 9.202 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 48.423 56.041 8.761 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 71.163 61.161 -1.989 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 70.507 60.822 -1.381 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 70.895 62.065 -2.153 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 23.819 20.484 12.175 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 24.351 20.082 11.487 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 24.206 20.169 12.992 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 82.712 39.820 16.560 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 83.619 39.675 16.828 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 82.701 40.717 16.227 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 29.500 39.177 57.472 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 30.201 39.623 56.997 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 29.492 38.290 57.110 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 60.278 27.853 44.628 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 60.049 28.742 44.357 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 59.988 27.298 43.904 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 40.104 21.387 51.590 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 39.680 20.531 51.649 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 40.178 21.555 50.651 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 75.271 65.715 55.743 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 75.031 65.907 54.836 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 74.691 66.268 56.267 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 42.316 17.535 52.381 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 42.279 17.376 51.437 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 42.716 18.400 52.463 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 33.625 40.136 23.025 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 32.817 39.943 23.500 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 33.333 40.559 22.217 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 83.064 88.556 48.114 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 83.562 87.891 47.638 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 82.558 89.006 47.438 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 50.117 44.777 12.485 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 50.971 45.062 12.810 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 49.489 45.148 13.104 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 76.118 11.937 -17.899 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 75.216 11.694 -17.691 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 76.604 11.770 -17.091 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 24.193 46.685 -4.743 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 24.604 46.910 -5.577 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 23.673 47.455 -4.515 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 54.212 68.888 44.185 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 54.129 69.840 44.246 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 55.040 68.748 43.725 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 36.344 34.755 44.654 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 35.552 34.395 44.255 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 36.180 34.709 45.596 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 74.151 10.814 56.299 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 74.837 10.511 56.894 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 74.614 11.033 55.490 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 23.841 7.790 2.621 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 23.159 8.085 2.017 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 24.634 7.750 2.086 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 35.090 4.748 -2.621 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 34.797 4.082 -3.244 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 34.321 4.923 -2.079 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 58.043 51.387 -18.516 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 58.053 50.648 -17.908 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 58.944 51.450 -18.832 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 48.844 96.523 -5.196 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 48.275 96.719 -5.940 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 48.399 95.812 -4.735 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 38.778 67.646 27.358 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 39.405 67.153 27.887 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 39.228 67.794 26.527 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 35.269 68.684 64.896 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 35.636 67.908 64.473 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 35.821 68.821 65.666 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 62.983 30.061 33.517 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 63.418 30.800 33.092 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 62.049 30.255 33.440 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 79.027 19.269 66.698 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 78.614 18.405 66.685 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 78.403 19.826 67.163 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 20.849 63.777 20.916 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 20.700 62.833 20.965 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 20.153 64.158 21.451 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 89.562 14.108 37.175 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 88.830 14.721 37.248 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 90.031 14.196 38.004 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 76.195 17.108 43.726 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 76.070 16.589 42.932 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 75.340 17.098 44.156 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 36.466 0.042 47.937 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 36.753 0.895 48.262 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 37.218 -0.294 47.449 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 25.681 41.444 44.352 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 24.812 41.752 44.093 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 25.607 40.490 44.355 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 51.796 87.563 -18.580 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 51.110 87.028 -18.181 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 52.478 86.938 -18.824 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 48.881 26.626 57.759 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 48.358 26.781 56.973 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 49.535 27.324 57.754 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 53.043 38.836 67.435 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 53.922 38.974 67.787 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 53.189 38.512 66.546 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 30.096 0.556 31.117 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 30.223 0.138 31.969 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 30.780 0.182 30.562 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 79.092 43.635 49.139 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 78.645 44.443 49.392 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 78.746 42.972 49.737 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 46.756 7.929 30.282 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 47.668 8.038 30.013 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 46.700 7.023 30.583 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 65.506 43.096 54.960 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 64.788 43.669 54.692 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 65.871 43.516 55.739 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 44.460 11.523 1.339 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 44.094 12.185 1.927 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 44.491 10.725 1.867 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 74.523 4.836 48.724 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 74.236 3.924 48.757 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 75.188 4.853 48.035 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 86.626 24.462 59.311 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 86.743 24.434 58.362 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 85.736 24.793 59.434 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 57.421 82.181 -1.765 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 57.659 81.516 -1.119 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 56.495 82.357 -1.598 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 89.718 39.701 -0.276 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 89.738 39.012 0.389 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 88.892 39.564 -0.739 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 63.771 10.339 44.754 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 63.118 10.892 44.325 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 63.387 9.462 44.743 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 87.113 58.455 42.325 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 86.760 59.254 41.934 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 87.420 58.726 43.190 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 27.009 91.007 -14.236 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 27.747 90.850 -14.825 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 27.413 91.184 -13.386 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 76.949 22.320 -7.178 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 76.267 22.814 -6.722 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 77.725 22.878 -7.125 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 74.089 14.513 42.932 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 73.249 14.910 42.703 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 73.863 13.640 43.252 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 58.206 17.984 -19.315 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 57.671 18.516 -18.725 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 58.607 17.327 -18.746 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 48.462 43.939 42.186 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 47.608 43.924 41.756 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 48.918 43.171 41.842 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 45.928 32.908 40.600 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 45.026 32.902 40.279 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 46.393 33.487 39.996 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 88.003 52.722 -14.211 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 87.941 51.979 -14.811 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 88.780 53.200 -14.502 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 48.717 76.772 15.023 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 48.611 76.019 15.604 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 48.170 77.454 15.413 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 22.786 71.708 52.739 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 23.601 72.149 52.499 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 22.112 72.379 52.639 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 72.671 64.760 -12.806 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 71.903 65.039 -12.307 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 72.479 65.020 -13.707 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 41.451 42.058 16.746 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 42.042 42.766 16.488 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 41.119 42.323 17.603 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 46.318 68.177 58.999 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 47.222 67.860 59.021 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 46.339 68.919 58.395 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 53.358 12.041 -14.035 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 53.298 11.199 -14.486 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 52.573 12.516 -14.308 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 60.306 17.579 44.859 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 60.666 18.403 45.187 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 60.558 17.557 43.936 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 52.807 65.398 64.919 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 52.100 65.823 65.404 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 53.581 65.514 65.471 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 88.113 78.765 49.956 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 87.437 78.512 49.326 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 88.394 79.634 49.669 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 23.632 39.095 8.526 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 23.849 38.501 9.244 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 24.243 39.825 8.626 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 34.008 47.199 -0.581 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 33.630 47.799 0.062 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 34.798 46.861 -0.159 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 64.637 52.144 36.671 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 63.876 51.864 36.163 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 65.241 51.403 36.627 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 62.889 95.443 -4.183 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 62.286 94.894 -3.682 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 62.439 96.284 -4.261 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 64.780 16.739 34.117 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 65.629 17.160 34.254 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 64.191 17.182 34.728 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 23.306 32.144 -0.251 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 23.147 31.227 -0.475 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 23.855 32.108 0.533 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 35.986 44.501 48.260 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 36.752 44.859 48.709 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 36.111 44.743 47.342 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 69.513 94.580 -3.686 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 70.025 95.187 -3.150 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 68.734 94.396 -3.161 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 82.531 60.793 11.808 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 82.466 59.895 11.483 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 83.035 60.719 12.618 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 38.006 31.872 10.083 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 37.874 32.733 9.687 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 37.873 32.015 11.020 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 44.126 4.287 -4.898 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 43.442 4.808 -4.478 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 44.328 3.600 -4.262 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 48.695 80.562 -8.017 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 48.976 79.658 -8.160 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 48.888 81.007 -8.842 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 30.708 60.611 22.438 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 31.494 60.087 22.590 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 30.988 61.513 22.592 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 48.982 36.834 25.585 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 48.407 36.606 24.854 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 49.139 36.004 26.035 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 76.445 87.983 64.678 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 75.569 88.254 64.404 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 76.710 87.334 64.026 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 55.019 67.187 23.831 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 55.128 66.238 23.770 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 55.907 67.536 23.763 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 56.661 19.970 56.608 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 57.544 20.339 56.614 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 56.117 20.656 56.222 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 62.424 30.885 -16.643 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 61.850 31.649 -16.713 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 62.499 30.727 -15.703 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 68.841 24.050 -6.646 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 69.421 24.810 -6.604 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 68.183 24.285 -7.299 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 58.670 36.388 13.003 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 58.618 37.328 13.173 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 57.897 36.022 13.434 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 37.007 93.533 25.953 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 37.758 93.609 26.541 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 36.385 94.186 26.272 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 88.493 73.693 33.740 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 87.789 73.706 33.091 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 88.096 74.054 34.532 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 31.354 67.293 -2.616 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 31.693 67.933 -1.990 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 30.654 66.843 -2.143 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 38.119 38.087 49.935 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 38.634 37.996 49.133 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 37.252 38.360 49.634 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 27.072 87.506 26.351 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 27.675 86.765 26.300 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 26.474 87.281 27.063 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 27.285 51.052 34.180 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 27.617 50.544 34.920 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 28.068 51.419 33.771 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 45.897 47.078 40.732 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 46.316 47.936 40.793 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 45.551 46.917 41.610 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 44.318 54.561 5.029 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 44.819 54.493 5.842 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 44.847 55.128 4.468 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 82.169 78.178 21.611 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 81.246 77.930 21.554 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 82.349 78.626 20.784 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 30.277 60.018 37.229 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 29.412 60.293 36.925 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 30.793 59.923 36.429 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 72.377 44.623 52.095 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 72.981 44.827 51.382 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 72.335 43.667 52.109 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 32.042 92.360 36.660 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 31.581 91.963 37.399 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 31.393 92.382 35.956 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 23.365 52.227 48.059 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 22.513 52.340 48.480 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 23.440 52.973 47.464 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 52.100 19.807 40.049 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 52.002 20.752 40.165 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 51.204 19.470 40.053 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 90.054 80.717 41.887 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 89.695 80.732 41.000 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 89.415 81.197 42.413 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 84.627 56.499 48.748 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 84.741 56.790 47.843 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 85.402 55.967 48.928 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 84.636 74.484 65.194 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 83.757 74.143 65.360 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 84.498 75.223 64.602 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 73.946 95.101 35.285 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 73.746 95.699 36.006 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 73.926 95.652 34.503 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 59.280 81.489 45.454 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 59.119 80.912 44.708 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 58.645 82.198 45.352 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 85.128 9.538 -9.692 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 84.654 10.126 -9.105 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 84.454 8.959 -10.047 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 77.546 88.142 -7.638 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 77.795 87.465 -8.266 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 77.165 88.838 -8.174 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 58.399 42.086 46.717 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 57.618 41.826 46.229 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 58.969 42.487 46.062 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 43.034 46.529 43.590 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 42.617 47.367 43.390 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 43.971 46.701 43.506 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 64.619 15.250 31.756 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 64.530 15.658 32.617 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 64.599 15.983 31.140 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 38.615 4.828 48.700 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 37.862 4.571 49.231 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 39.332 4.919 49.328 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 76.770 48.111 54.054 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 77.697 48.290 53.900 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 76.343 48.963 53.966 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 41.151 87.878 -13.265 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 41.711 88.651 -13.332 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 41.514 87.382 -12.532 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 59.033 21.477 23.176 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 58.765 22.104 22.505 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 59.583 21.984 23.772 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 28.796 48.733 27.600 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 29.345 48.956 28.352 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 28.626 49.571 27.171 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 63.793 26.452 32.970 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 63.125 26.901 33.489 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 63.617 26.722 32.069 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 63.569 60.393 23.859 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 63.332 60.905 23.086 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 62.731 60.155 24.256 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 67.870 36.892 -9.756 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 67.125 37.395 -9.427 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 68.316 37.489 -10.356 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 56.285 40.996 2.009 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 56.894 40.511 2.566 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 55.418 40.747 2.328 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 84.869 27.164 61.765 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 85.046 26.858 60.875 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 84.057 27.666 61.689 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 67.750 30.689 57.049 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 66.849 30.422 56.870 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 67.848 31.525 56.594 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 38.202 84.153 31.068 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 38.379 84.074 30.131 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 37.722 83.355 31.290 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 49.997 51.114 -9.130 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 49.948 51.858 -8.530 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 49.596 51.432 -9.939 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 32.901 92.498 29.317 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 32.026 92.112 29.289 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 33.484 91.795 29.030 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 21.416 80.986 64.381 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 22.118 81.628 64.270 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 21.464 80.734 65.303 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 62.942 30.915 29.738 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 63.122 31.577 29.071 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 62.811 31.415 30.544 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 74.663 28.775 20.116 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 73.926 29.007 20.682 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 74.519 29.281 19.316 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 29.699 54.066 13.720 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 30.628 54.144 13.936 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 29.688 53.697 12.837 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 65.886 38.165 2.285 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 66.532 37.654 2.773 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 65.109 37.607 2.258 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 42.769 13.739 24.360 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 42.464 14.509 24.840 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 42.324 13.792 23.514 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 64.880 46.696 40.759 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 65.672 46.955 41.230 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 64.757 47.381 40.101 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 72.528 53.161 41.745 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 73.319 53.371 41.249 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 71.821 53.210 41.102 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 40.242 61.221 37.662 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 40.663 61.931 38.146 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 40.912 60.917 37.050 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 83.654 61.219 27.234 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 84.170 60.442 27.018 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 82.785 61.038 26.874 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 33.515 8.302 28.801 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 33.731 7.964 27.932 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 33.854 9.197 28.801 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 52.589 42.113 42.053 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 53.343 42.316 41.498 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 51.831 42.391 41.539 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 25.092 53.696 60.993 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 24.156 53.500 61.039 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 25.513 52.840 60.924 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 25.414 90.940 24.536 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 24.688 91.199 25.103 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 25.130 90.114 24.144 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 52.228 40.868 52.987 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 51.841 41.282 53.758 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 52.503 40.003 53.292 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 53.804 43.182 46.374 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 54.347 43.778 45.859 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 52.929 43.266 45.995 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 42.323 41.665 -19.473 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 42.126 42.456 -18.971 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 41.790 41.743 -20.264 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 40.845 33.671 -5.744 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 41.781 33.606 -5.553 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 40.415 33.357 -4.949 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 29.717 14.378 -12.719 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 28.876 14.189 -13.134 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 29.808 13.706 -12.044 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 31.665 42.869 64.877 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 30.810 42.916 64.450 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 31.717 43.670 65.399 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 73.061 50.444 61.525 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 73.594 50.489 60.731 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 72.229 50.847 61.278 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 42.848 35.822 51.448 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 42.757 36.371 50.669 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 43.563 36.224 51.942 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 50.494 32.667 19.721 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 49.543 32.700 19.615 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 50.660 33.128 20.543 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 86.449 46.492 11.182 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 85.888 46.518 11.957 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 85.880 46.771 10.465 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 45.922 83.732 -3.969 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 45.608 82.955 -3.507 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 46.875 83.693 -3.884 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 44.021 38.115 44.046 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 43.964 38.725 43.311 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 44.761 37.547 43.831 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 89.457 33.497 38.898 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 89.908 33.819 39.679 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 89.032 32.688 39.183 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 52.113 70.861 57.699 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 51.170 71.016 57.749 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 52.205 70.139 57.078 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 72.755 58.627 37.358 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 72.441 59.030 36.549 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 72.005 58.131 37.686 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 20.342 33.122 27.170 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 20.233 33.169 26.221 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 21.116 33.655 27.350 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 62.067 35.357 36.637 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 62.191 34.438 36.398 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 62.604 35.842 36.011 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 58.054 47.590 32.078 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 57.309 47.930 31.582 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 58.807 47.730 31.504 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 25.091 72.011 -13.660 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 25.322 71.773 -14.558 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 25.917 72.291 -13.266 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 48.234 85.699 29.758 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 48.030 85.984 28.867 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 48.666 84.852 29.646 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 55.965 74.063 32.224 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 55.455 73.971 33.029 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 55.439 73.624 31.556 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 81.558 40.514 -4.097 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 80.601 40.521 -4.091 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 81.802 40.260 -3.207 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 20.333 37.673 47.554 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 21.219 37.734 47.196 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 20.463 37.550 48.494 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 79.850 47.352 55.919 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 79.113 47.047 56.448 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 80.152 48.145 56.361 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 84.266 54.999 20.921 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 84.283 54.345 20.223 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 83.361 54.996 21.231 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 35.124 63.180 67.347 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 35.181 62.796 66.472 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 34.469 62.649 67.800 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 25.842 56.780 13.383 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 26.744 57.053 13.216 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 25.852 56.459 14.285 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 79.502 5.270 37.468 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 80.192 4.941 36.892 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 79.751 6.177 37.647 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 82.951 93.604 55.782 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 83.372 94.383 55.418 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 82.014 93.765 55.673 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 24.585 15.834 -19.560 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 23.693 15.749 -19.223 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 24.613 16.710 -19.945 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 84.486 43.836 31.703 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 84.142 43.855 32.596 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 84.201 42.992 31.353 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 35.769 61.154 61.157 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 36.580 61.371 60.697 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 35.483 60.329 60.764 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 28.416 42.006 22.066 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 28.290 42.120 23.008 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 27.729 42.539 21.666 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 29.022 53.252 19.887 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 29.500 53.126 19.068 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 28.673 54.142 19.827 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 23.943 4.726 1.961 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 23.226 4.351 2.473 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 23.873 5.669 2.106 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 37.092 45.412 6.625 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 36.819 45.935 7.380 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 38.033 45.288 6.747 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 78.165 45.665 59.242 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 78.368 46.269 58.527 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 77.384 46.035 59.654 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 59.704 10.265 53.888 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 60.309 10.112 53.162 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 59.422 9.390 54.155 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 28.082 16.582 29.018 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 27.795 17.220 29.671 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 27.726 15.748 29.324 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 55.136 39.449 -3.634 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 54.828 40.247 -3.203 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 54.366 38.881 -3.665 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 25.687 92.737 55.365 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 26.171 92.188 54.749 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 26.018 92.481 56.226 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 90.676 59.605 31.348 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 90.653 60.015 30.483 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 89.760 59.585 31.628 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 72.534 44.864 45.828 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 72.853 43.963 45.773 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 72.570 45.186 44.927 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 37.968 40.676 -9.151 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 38.179 41.574 -9.406 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 37.716 40.741 -8.230 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 58.804 64.803 -19.287 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 59.480 64.331 -18.801 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 58.089 64.913 -18.660 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 53.530 5.195 58.515 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 53.417 6.102 58.228 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 53.173 4.671 57.798 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 55.868 31.726 67.448 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 54.946 31.492 67.348 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 56.078 32.216 66.652 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 34.782 12.854 26.621 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 34.262 12.408 25.953 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 34.408 13.735 26.667 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 74.736 64.112 -7.240 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 74.331 63.625 -6.522 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 74.260 63.828 -8.021 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 40.449 56.769 7.887 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 40.891 56.050 8.338 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 40.365 57.454 8.551 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 87.781 31.324 56.108 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 87.953 32.020 56.741 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 87.902 30.513 56.603 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 24.944 71.844 57.086 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 24.674 71.507 57.941 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 24.250 71.566 56.489 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 77.160 90.593 33.085 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 76.378 91.041 32.764 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 77.554 91.209 33.703 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 65.199 21.219 61.321 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 65.492 20.888 62.170 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 64.306 20.888 61.229 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 49.959 11.648 30.285 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 50.330 11.667 29.403 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 50.148 12.516 30.643 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 51.282 45.935 34.615 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 51.906 45.530 34.012 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 51.371 46.875 34.456 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 63.992 26.891 23.787 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 63.183 27.143 23.341 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 64.004 25.935 23.740 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 20.846 28.198 -4.408 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 20.606 27.349 -4.779 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 20.187 28.804 -4.747 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 25.128 69.432 -16.625 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 25.653 68.683 -16.909 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 25.582 69.763 -15.850 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 87.559 49.682 30.086 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 87.422 49.554 31.024 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 88.492 49.514 29.954 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 87.357 76.090 -14.421 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 86.584 75.927 -13.879 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 87.853 75.273 -14.381 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 22.297 63.251 48.945 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 21.981 62.592 49.564 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 22.081 62.894 48.084 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 28.814 65.406 14.261 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 28.284 66.192 14.394 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 29.711 65.731 14.188 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 57.100 77.482 -2.275 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 56.889 76.876 -2.986 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 56.330 77.462 -1.707 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 86.913 55.479 11.099 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 86.264 56.099 10.767 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 86.689 54.649 10.678 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 34.909 77.539 11.130 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 35.404 77.016 11.761 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 35.443 78.322 10.995 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 36.099 67.024 22.732 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 36.730 67.635 23.114 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 35.980 66.352 23.403 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 47.763 56.081 19.087 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 47.870 55.583 18.277 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 48.618 56.031 19.515 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 26.444 55.702 6.592 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 27.148 56.316 6.801 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 25.640 56.187 6.780 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 72.636 59.491 8.311 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 72.259 60.349 8.112 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 71.894 58.968 8.615 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 87.546 43.110 7.753 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 86.976 43.377 7.032 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 87.058 42.421 8.203 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 88.023 26.759 -10.305 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 87.808 27.637 -9.991 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 87.174 26.337 -10.439 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 68.765 58.842 36.848 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 67.822 58.691 36.783 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 68.930 59.581 36.263 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 47.461 65.054 10.249 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 47.962 65.207 11.050 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 46.580 65.366 10.454 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 27.239 23.994 32.138 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 27.805 23.459 31.581 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 27.199 24.842 31.696 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 47.967 35.323 61.562 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 47.890 36.075 62.149 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 48.190 35.704 60.712 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 41.746 11.423 60.517 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 40.809 11.469 60.327 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 41.794 11.357 61.471 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 62.267 56.457 -9.867 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 62.582 56.577 -8.971 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 61.654 57.180 -10.005 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 23.110 22.496 -8.399 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 23.252 21.562 -8.243 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 23.613 22.933 -7.711 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 44.115 47.530 11.763 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 44.985 47.919 11.672 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 44.148 47.062 12.598 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 29.715 21.902 -3.396 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 29.789 21.560 -2.505 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 30.520 22.402 -3.530 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 77.599 39.928 67.441 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 77.009 39.175 67.394 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 77.134 40.627 66.983 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 66.596 16.810 16.377 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 65.764 16.944 15.924 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 66.448 16.041 16.928 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 28.978 79.152 35.190 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 29.555 79.406 35.910 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 29.080 78.203 35.124 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 87.329 7.603 -2.342 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 87.862 8.369 -2.557 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 87.905 7.051 -1.813 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 87.049 2.160 41.999 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 87.943 1.828 42.079 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 86.530 1.590 42.567 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 43.167 3.678 15.567 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 43.163 2.928 14.972 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 43.198 3.291 16.441 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 79.199 72.706 30.247 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 78.777 72.647 29.390 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 80.114 72.481 30.079 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 38.040 49.640 12.831 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 38.719 50.186 13.226 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 37.676 49.142 13.563 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 37.837 37.174 38.006 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 37.472 37.258 37.124 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 38.519 37.844 38.048 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 58.994 65.085 35.332 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 58.826 65.499 34.485 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 58.425 64.315 35.339 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 34.936 20.048 6.865 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 34.560 19.458 6.212 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 35.558 19.504 7.349 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 83.223 30.400 9.237 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 82.542 29.735 9.332 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 83.120 30.724 8.342 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 41.239 5.775 -17.093 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 40.921 5.099 -17.690 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 40.862 6.588 -17.428 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 78.185 85.193 19.497 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 77.373 84.970 19.042 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 78.625 84.354 19.628 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 43.492 21.713 1.046 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 43.312 21.429 1.942 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 43.497 22.669 1.094 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 83.531 57.339 8.533 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 83.003 56.596 8.825 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 82.990 58.106 8.719 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 71.286 30.022 -8.151 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 70.847 29.648 -7.387 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 71.293 30.965 -7.987 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 79.450 81.455 0.188 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 78.854 82.094 0.578 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 80.250 81.524 0.709 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 36.334 8.285 3.926 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 35.871 8.745 3.226 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 35.656 7.767 4.361 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 76.583 83.840 3.848 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 75.734 83.928 3.415 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 76.946 84.726 3.847 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 85.580 42.123 -14.835 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 85.848 42.856 -15.389 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 85.518 42.497 -13.956 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 41.011 33.779 64.044 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 40.559 32.936 64.078 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 40.388 34.368 63.619 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 60.608 94.967 33.516 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 60.816 94.569 32.671 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 59.656 95.063 33.509 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 45.225 5.174 14.365 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 45.811 5.877 14.649 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 44.663 5.010 15.122 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 65.465 33.299 56.998 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 64.896 33.635 57.690 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 64.864 32.917 56.358 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 51.196 48.394 38.327 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 51.382 49.215 37.873 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 51.397 48.576 39.245 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 26.275 3.007 2.248 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 26.615 3.181 3.125 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 25.514 3.582 2.167 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 49.875 33.949 49.278 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 50.307 34.441 49.976 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 50.004 34.482 48.493 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 63.786 34.137 59.404 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 64.449 34.689 59.818 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 63.057 34.731 59.225 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 79.822 24.443 -2.320 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 80.384 25.156 -2.622 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 80.018 23.716 -2.912 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 37.403 11.252 31.414 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 37.700 11.069 32.306 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 36.561 11.693 31.528 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 23.474 5.049 -0.930 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 24.420 5.135 -1.045 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 23.374 4.557 -0.115 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 88.128 48.334 63.451 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 87.796 48.750 62.655 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 88.631 47.583 63.137 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 65.589 60.606 58.270 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 65.774 61.213 57.554 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 64.930 60.010 57.915 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 40.729 23.869 55.519 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 41.409 24.113 56.148 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 41.201 23.417 54.820 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 58.279 3.684 25.582 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 58.943 3.388 24.960 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 58.729 3.695 26.427 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 39.266 65.266 40.332 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 39.215 65.130 39.386 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 40.123 65.670 40.471 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 86.713 64.575 -10.821 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 87.397 65.200 -11.064 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 87.094 63.717 -11.006 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 54.762 57.769 52.821 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 54.890 58.479 52.191 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 55.001 56.976 52.341 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 51.754 32.683 39.283 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 51.206 32.081 38.782 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 52.639 32.540 38.946 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 63.168 72.518 42.325 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 63.938 72.207 41.848 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 62.676 73.026 41.680 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 78.633 49.747 -18.408 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 79.540 50.053 -18.392 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 78.542 49.309 -19.254 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 62.017 37.831 60.754 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 61.496 38.548 60.391 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 61.696 37.731 61.650 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 47.043 33.383 62.800 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 47.393 34.244 62.568 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 46.579 33.527 63.625 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 64.327 33.581 3.931 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 63.590 33.544 3.321 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 63.920 33.652 4.794 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 45.310 71.742 50.539 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 45.039 72.366 49.866 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 44.553 71.168 50.652 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 20.701 37.332 25.160 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 20.092 36.728 24.734 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 21.561 37.084 24.821 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 20.466 86.639 -4.588 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 21.267 86.702 -5.109 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 20.772 86.452 -3.700 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 73.866 15.923 49.873 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 72.918 16.024 49.949 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 74.113 15.393 50.630 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 71.797 46.718 23.498 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 70.989 47.201 23.666 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 72.468 47.195 23.987 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 48.420 6.605 -8.794 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 49.001 7.340 -8.989 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 48.850 5.847 -9.190 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 63.782 43.385 42.754 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 63.032 43.977 42.812 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 63.813 43.126 41.833 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 22.138 33.905 56.838 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 22.336 34.507 56.121 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 21.207 34.042 57.015 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 59.072 4.098 52.114 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 58.931 3.297 51.608 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 58.817 3.865 53.007 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 33.685 77.108 15.056 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 33.620 76.206 15.370 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 33.171 77.118 14.249 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 81.461 90.126 50.203 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 81.910 89.467 49.674 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 82.145 90.755 50.434 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 80.058 26.997 50.560 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 80.415 27.873 50.704 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 79.886 26.959 49.619 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 56.340 79.309 29.454 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 56.031 80.124 29.058 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 55.649 78.674 29.266 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 74.006 1.958 49.692 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 74.378 1.092 49.860 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 73.729 1.927 48.777 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 31.865 25.929 -18.585 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 30.977 26.257 -18.446 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 32.390 26.715 -18.738 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 64.770 24.938 -13.864 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 64.378 24.863 -14.734 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 64.369 24.231 -13.358 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 63.484 50.759 -2.031 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 63.866 50.244 -1.320 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 62.616 50.378 -2.164 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 53.109 4.661 -2.326 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 53.004 4.182 -3.148 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 52.228 4.695 -1.953 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 72.788 46.875 -0.300 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 71.971 47.348 -0.461 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 73.080 47.186 0.557 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 62.178 65.348 58.892 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 61.858 66.235 59.058 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 61.405 64.862 58.607 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 72.284 73.273 -4.139 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 72.302 73.593 -5.041 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 72.536 72.351 -4.207 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 20.978 32.823 9.352 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 21.137 32.448 8.486 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 21.812 33.225 9.597 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 27.725 2.438 29.411 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 27.103 2.062 30.033 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 27.854 1.753 28.755 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 50.103 93.612 38.871 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 49.406 94.027 38.363 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 50.276 92.789 38.414 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 87.545 14.302 64.354 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 87.891 14.235 63.464 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 88.270 14.028 64.915 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 76.900 77.673 56.986 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 76.950 78.343 57.668 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 77.529 77.005 57.259 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 85.398 0.110 58.041 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 84.767 0.652 57.568 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 86.244 0.332 57.653 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 59.460 18.878 5.845 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 59.342 19.149 6.755 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 60.383 19.051 5.660 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 45.666 76.019 1.099 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 46.183 75.213 1.090 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 44.759 75.721 1.167 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 85.148 18.109 3.398 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 85.165 18.630 2.595 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 85.291 18.746 4.099 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 31.064 86.444 10.472 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 31.600 86.343 9.686 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 31.588 86.998 11.051 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 82.822 93.706 -14.321 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 83.764 93.567 -14.219 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 82.441 92.832 -14.241 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 42.447 27.671 33.602 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 42.283 27.614 32.661 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 42.008 26.903 33.969 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 56.714 69.213 31.139 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 56.361 69.531 31.970 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 55.943 69.054 30.595 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 29.927 61.040 6.380 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 30.805 60.769 6.110 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 30.059 61.883 6.815 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 31.053 91.073 65.358 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 31.713 90.832 66.008 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 31.144 90.415 64.669 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 64.075 -0.022 58.370 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 64.624 0.695 58.687 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 64.692 -0.643 57.982 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 48.951 17.843 15.636 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 49.012 18.123 16.550 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 48.951 18.658 15.135 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 25.293 78.171 16.952 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 26.177 77.855 17.136 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 24.729 77.659 17.531 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 30.370 5.121 34.484 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 30.462 4.921 33.552 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 31.228 5.459 34.742 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 41.498 74.969 13.637 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 42.113 75.570 14.059 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 42.024 74.198 13.425 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 61.277 80.921 42.557 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 61.493 81.467 41.801 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 62.126 80.659 42.913 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 84.816 73.580 10.193 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 85.174 73.237 11.011 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 85.545 73.538 9.575 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 71.801 40.744 11.418 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 71.381 41.595 11.292 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 71.149 40.108 11.121 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 22.133 11.017 6.516 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 22.890 11.232 7.061 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 21.395 11.003 7.126 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 68.689 42.690 -0.670 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 68.873 42.773 0.265 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 67.808 42.317 -0.710 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 37.803 76.605 30.563 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 38.116 77.129 31.301 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 38.573 76.113 30.276 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 21.183 80.559 -12.825 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 21.659 80.030 -12.184 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 20.795 81.267 -12.311 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 42.020 26.803 -16.617 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 41.424 26.164 -16.227 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 42.273 27.371 -15.890 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 79.733 19.532 45.960 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 79.728 18.659 46.353 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 79.405 19.397 45.071 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 22.699 49.205 31.205 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 22.779 48.636 31.970 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 21.773 49.157 30.967 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 82.446 32.298 19.601 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 82.326 32.270 20.551 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 82.315 33.218 19.370 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 25.099 5.783 58.807 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 24.957 6.562 58.268 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 24.864 5.051 58.237 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 25.310 76.472 52.014 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 25.483 76.234 51.103 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 24.440 76.871 51.997 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 43.983 81.363 5.118 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 44.249 82.097 5.672 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 44.741 81.198 4.558 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 55.915 94.060 25.942 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 55.707 93.842 25.033 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 56.863 93.945 26.006 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 35.717 94.105 -15.468 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 36.031 93.429 -16.068 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 36.507 94.573 -15.199 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 74.834 29.805 23.853 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 74.895 30.747 24.012 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 74.466 29.448 24.661 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 51.417 57.414 0.361 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 50.521 57.151 0.569 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 51.514 58.278 0.763 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 49.508 50.041 64.633 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 49.825 49.138 64.649 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 49.106 50.139 63.770 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 24.959 75.695 -2.343 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 25.398 74.968 -2.784 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 25.612 76.035 -1.732 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 72.633 41.826 60.766 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 72.386 42.600 61.272 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 71.826 41.559 60.326 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 30.205 58.907 54.224 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 30.115 59.500 54.970 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 30.167 59.478 53.457 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 55.397 1.119 45.106 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 55.385 1.703 44.348 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 54.485 1.082 45.395 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 28.345 15.744 -2.505 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 29.207 15.461 -2.199 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 28.256 16.639 -2.179 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 36.012 93.412 50.160 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 35.679 93.796 49.348 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 35.515 92.601 50.263 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 29.025 35.583 -11.969 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 29.162 36.493 -11.705 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 28.632 35.168 -11.202 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 44.294 3.255 -2.031 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 43.765 3.552 -1.290 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 44.506 2.345 -1.824 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 65.274 21.893 12.541 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 65.773 22.633 12.194 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 64.373 22.212 12.588 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 77.625 23.893 -0.180 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 78.331 23.717 0.442 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 78.049 24.369 -0.895 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 20.869 42.179 41.645 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 21.504 42.869 41.453 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 20.598 42.346 42.547 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 24.022 20.722 33.627 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 24.303 21.150 34.436 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 24.712 20.085 33.440 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 34.934 24.336 25.632 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 35.546 23.713 26.025 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 34.869 25.045 26.272 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 29.559 37.531 44.958 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 29.302 36.610 44.921 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 30.388 37.569 44.482 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 80.531 93.598 11.651 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 80.729 93.307 10.761 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 80.982 92.969 12.215 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 36.828 55.484 36.323 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 37.387 55.543 37.098 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 37.412 55.679 35.590 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 55.137 83.985 16.056 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 55.471 83.238 16.553 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 54.185 83.901 16.107 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 84.641 80.079 8.449 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 84.186 80.428 7.682 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 84.870 79.183 8.204 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 25.154 38.412 -8.206 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 25.603 37.572 -8.115 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 25.757 38.951 -8.718 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 68.661 40.030 42.845 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 68.598 40.286 43.766 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 67.827 39.599 42.659 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 79.047 37.117 17.448 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 78.664 37.936 17.136 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 78.334 36.481 17.393 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 56.139 12.789 32.447 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 55.685 12.054 32.859 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 55.450 13.434 32.283 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 41.997 6.265 11.161 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 42.749 6.665 11.598 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 41.272 6.381 11.775 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 27.897 85.708 18.571 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 28.240 85.011 18.011 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 28.369 86.493 18.293 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 27.321 64.656 34.762 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 26.761 63.909 34.552 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 28.088 64.548 34.200 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 31.534 20.952 55.553 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 31.214 21.853 55.496 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 32.116 20.857 54.799 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 66.080 39.376 47.043 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 66.984 39.691 47.040 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 66.158 38.423 47.007 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 30.886 43.919 14.539 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 31.226 44.026 13.651 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 31.341 44.587 15.052 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 33.598 87.013 40.107 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 32.862 87.526 39.772 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 34.144 87.649 40.568 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 66.202 21.795 2.377 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 66.602 21.806 3.247 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 66.897 21.482 1.798 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 54.388 26.526 53.042 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 53.689 26.367 53.677 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 54.047 26.179 52.218 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 37.212 37.465 65.766 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 37.822 37.352 66.495 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 36.749 38.279 65.964 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 29.443 93.832 -7.447 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 28.711 94.381 -7.166 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 29.770 94.256 -8.241 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 74.244 30.294 32.344 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 73.693 30.316 31.562 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 73.627 30.339 33.074 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 37.447 8.087 10.799 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 36.940 8.039 11.609 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 37.906 7.248 10.753 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 62.072 25.338 42.370 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 61.942 26.256 42.133 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 62.219 24.893 41.535 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 66.335 13.704 3.111 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 65.999 14.592 3.229 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 65.577 13.138 3.257 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 64.024 5.344 47.144 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 63.301 5.255 47.765 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 64.233 4.445 46.889 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 41.124 91.134 57.241 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 41.392 91.400 56.362 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 40.219 90.839 57.138 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 44.857 69.007 65.528 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 45.255 68.947 64.660 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 43.932 69.186 65.357 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 35.792 24.359 62.644 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 36.001 24.757 61.799 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 35.494 23.476 62.427 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 84.812 64.695 52.227 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 84.283 64.926 52.991 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 84.388 63.916 51.868 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 34.986 75.787 31.876 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 35.554 75.731 31.107 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 35.589 75.821 32.618 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 68.314 28.818 52.021 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 67.591 28.641 52.623 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 68.164 29.715 51.722 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 50.983 12.418 54.598 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 51.289 11.520 54.474 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 50.531 12.403 55.442 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 40.193 31.374 59.094 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 39.492 30.821 59.438 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 39.738 32.074 58.625 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 20.424 5.711 61.627 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 20.797 5.959 62.473 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 20.815 6.323 61.003 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 45.200 11.359 15.992 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 45.728 12.065 15.620 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 44.347 11.761 16.161 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 41.558 61.929 -18.237 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 42.283 61.333 -18.427 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 41.765 62.289 -17.374 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 59.890 44.924 32.863 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 60.574 45.071 32.209 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 59.269 45.639 32.726 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 57.033 3.366 57.832 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 56.823 4.190 57.393 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 56.881 3.543 58.761 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 38.929 40.924 7.848 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 39.502 40.239 7.503 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 39.529 41.587 8.192 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 38.800 39.334 19.420 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 39.540 38.764 19.209 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 39.089 40.209 19.160 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 39.078 51.320 14.951 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 39.293 51.287 15.883 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 39.856 50.976 14.513 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 28.168 66.329 62.778 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 27.666 66.176 61.977 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 28.652 67.137 62.608 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 41.275 27.384 42.865 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 41.734 27.619 42.059 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 40.401 27.758 42.761 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 45.534 20.174 -2.109 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 45.758 19.452 -1.522 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 45.872 19.903 -2.963 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 68.905 8.058 17.122 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 68.368 7.435 17.612 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 69.534 8.389 17.763 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 65.438 34.633 16.320 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 65.386 35.079 17.165 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 64.527 34.454 16.086 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 29.218 16.321 22.266 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 29.348 16.579 21.354 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 29.319 17.133 22.762 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 87.288 30.299 49.562 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 88.048 29.728 49.674 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 87.579 31.152 49.884 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 34.047 31.149 14.145 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 34.478 31.672 13.469 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 34.193 31.637 14.955 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 46.029 12.888 -12.228 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 45.837 12.062 -11.784 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 46.841 13.194 -11.825 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 80.449 46.208 44.367 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 80.102 45.498 43.827 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 79.878 46.224 45.136 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 60.206 43.750 52.910 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 59.357 44.170 52.770 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 60.015 43.007 53.482 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 59.606 55.595 37.686 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 60.015 55.515 36.824 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 58.682 55.760 37.498 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 26.830 7.913 -19.568 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 27.656 7.765 -19.108 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 26.202 7.343 -19.123 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 49.696 21.668 4.944 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 49.892 22.046 5.801 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 49.988 20.759 5.011 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 88.439 29.625 65.441 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 87.982 30.452 65.595 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 88.293 29.440 64.513 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 63.960 94.675 64.407 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 63.464 94.103 63.821 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 64.748 94.174 64.620 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 24.723 94.987 0.466 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 25.432 95.537 0.798 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 24.252 94.703 1.249 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 30.175 47.945 50.907 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 30.961 48.162 51.408 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 30.440 47.212 50.351 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 36.468 90.252 14.678 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 36.705 91.042 15.164 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 37.185 89.641 14.847 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 66.016 80.714 -8.972 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 66.471 80.799 -9.809 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 66.653 81.008 -8.321 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 21.042 94.715 -17.864 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 21.720 94.617 -18.533 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 21.172 95.599 -17.519 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 27.377 32.997 -4.948 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 26.647 32.393 -5.088 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 26.965 33.806 -4.648 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 75.935 69.053 38.183 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 75.883 69.887 37.716 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 75.319 69.146 38.910 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 52.820 39.206 41.978 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 52.785 38.644 41.204 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 52.648 40.086 41.643 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 23.447 42.547 -0.189 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 22.723 41.958 0.022 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 23.685 42.944 0.649 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 34.699 35.054 9.478 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 34.105 34.341 9.713 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 34.216 35.851 9.697 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 35.571 80.020 22.963 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 36.213 79.358 23.218 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 34.725 79.634 23.190 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 34.993 8.632 26.002 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 34.115 9.004 25.923 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 35.455 9.231 26.590 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 21.658 13.637 55.917 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 21.423 14.332 56.531 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 20.819 13.289 55.617 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 73.501 39.271 58.334 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 73.357 38.329 58.240 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 72.762 39.674 57.880 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 66.220 35.451 19.872 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 65.449 35.688 19.355 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 66.063 34.544 20.134 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 84.504 31.076 64.735 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 84.560 31.313 63.809 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 83.607 31.297 64.986 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 73.503 25.509 11.155 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 73.001 25.849 11.896 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 72.872 25.469 10.436 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 75.055 25.764 55.186 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 74.801 25.063 54.586 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 74.496 26.502 54.943 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 56.575 46.883 -2.333 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 56.866 46.187 -1.743 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 55.854 47.306 -1.867 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 46.396 45.829 -0.990 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 47.017 46.471 -1.333 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 45.987 46.266 -0.243 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 81.862 57.028 48.931 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 82.700 56.594 49.093 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 82.065 57.708 48.288 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 46.921 10.115 61.528 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 47.078 9.797 60.638 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 47.670 9.796 62.032 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 83.513 14.473 7.758 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 83.397 15.218 7.167 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 84.460 14.414 7.886 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 57.705 64.407 44.144 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 56.917 64.803 44.516 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 57.407 63.995 43.334 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 62.586 70.544 27.564 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 62.285 69.787 27.060 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 61.832 71.133 27.585 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 27.574 45.400 66.318 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 28.009 46.253 66.311 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 26.825 45.508 65.732 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 70.300 42.404 22.809 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 69.647 41.710 22.729 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 70.033 43.061 22.166 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 35.319 7.440 -4.175 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 35.433 6.791 -3.481 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 35.445 6.949 -4.986 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 76.326 35.712 16.488 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 76.819 35.151 15.889 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 76.495 35.345 17.355 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 38.245 64.587 42.721 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 38.591 65.187 43.381 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 38.816 64.709 41.962 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 75.135 35.351 60.775 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 74.247 35.644 60.978 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 75.029 34.766 60.024 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 34.021 81.500 -11.760 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 34.295 81.558 -10.845 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 34.650 82.045 -12.234 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 63.273 39.050 65.596 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 62.563 39.688 65.670 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 63.055 38.372 66.235 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 41.838 27.946 -1.280 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 41.502 27.200 -1.777 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 41.086 28.257 -0.776 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 74.177 74.919 18.969 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 74.729 74.704 19.721 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 73.919 74.070 18.611 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 70.104 47.565 20.457 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 69.523 46.868 20.154 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 69.824 48.340 19.970 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 41.950 79.339 10.150 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 42.331 80.212 10.057 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 41.967 79.168 11.092 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 84.597 68.525 -0.122 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 84.065 67.741 -0.260 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 84.138 69.008 0.566 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 26.116 10.605 50.031 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 26.059 9.923 50.701 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 27.026 10.576 49.736 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 76.609 48.406 49.177 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 77.107 49.222 49.241 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 75.991 48.444 49.907 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 88.176 30.404 20.598 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 88.908 31.012 20.703 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 88.586 29.578 20.340 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 66.307 18.757 6.017 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 65.421 19.072 5.838 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 66.695 18.628 5.152 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 38.736 60.772 66.976 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 39.189 59.934 67.069 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 38.868 61.211 67.816 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 42.617 72.210 63.667 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 41.761 72.366 64.066 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 43.081 73.042 63.760 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 60.898 20.822 42.058 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 60.454 20.733 41.214 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 61.763 21.168 41.838 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 39.456 77.434 -11.693 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 39.704 77.756 -10.826 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 38.538 77.181 -11.602 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 79.855 47.679 49.515 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 79.500 48.369 48.954 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 80.683 48.034 49.837 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 41.440 74.330 27.736 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 41.946 73.961 28.460 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 41.791 73.901 26.955 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 22.214 11.751 47.773 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 21.545 11.671 47.093 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 22.984 11.319 47.403 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 63.589 94.475 15.260 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 63.800 94.705 16.165 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 63.963 93.602 15.140 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 37.725 44.127 35.020 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 38.586 43.921 35.383 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 37.906 44.745 34.311 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 49.930 64.445 -15.206 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 50.440 64.442 -16.016 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 49.039 64.231 -15.483 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 35.373 31.922 -11.751 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 36.280 31.954 -12.057 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 35.328 31.126 -11.221 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 36.016 55.617 6.746 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 36.267 56.416 7.210 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 36.616 54.949 7.078 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 50.109 25.080 -6.623 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 50.851 25.540 -7.015 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 50.475 24.649 -5.850 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 23.543 32.602 25.303 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 23.671 32.972 26.176 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 24.403 32.261 25.058 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 52.964 75.132 26.296 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 53.609 75.440 25.659 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 53.239 74.238 26.502 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 65.916 50.255 -16.227 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 66.461 50.810 -16.785 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 66.484 50.024 -15.492 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 36.523 10.623 42.192 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 37.413 10.968 42.118 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 36.015 11.132 41.560 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 28.273 77.277 -0.693 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 28.267 77.297 -1.649 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 28.787 76.500 -0.472 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 42.794 43.967 40.041 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 42.139 44.617 39.785 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 43.478 44.041 39.375 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 37.798 96.421 -15.148 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 38.108 95.771 -15.779 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 38.380 96.320 -14.394 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 88.652 7.065 -6.244 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 87.951 6.442 -6.055 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 88.389 7.481 -7.065 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 84.419 20.994 64.454 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 84.825 21.028 65.320 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 85.009 21.497 63.893 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 43.608 50.118 25.175 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 43.828 49.484 25.857 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 44.254 49.964 24.485 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 56.228 56.296 20.054 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 55.337 56.157 20.377 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 56.474 55.459 19.661 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 82.204 25.608 31.612 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 82.785 25.667 32.370 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 82.402 26.391 31.097 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 36.726 78.682 45.470 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 36.163 78.546 46.232 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 36.298 78.195 44.766 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 34.394 10.184 58.908 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 33.878 10.990 58.943 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 33.831 9.521 59.305 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 72.347 44.183 25.058 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 72.381 44.896 24.421 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 71.419 43.957 25.116 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 69.001 0.496 38.926 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 69.944 0.655 38.935 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 68.796 0.317 38.008 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 28.633 41.492 58.597 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 27.715 41.224 58.565 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 29.117 40.730 58.279 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 25.725 35.685 -7.734 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 24.802 35.631 -7.487 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 25.958 34.792 -7.987 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 46.839 43.353 39.598 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 46.359 43.140 38.798 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 47.666 43.725 39.290 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 48.298 41.562 -5.340 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 48.437 42.022 -6.168 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 48.061 42.251 -4.719 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 26.618 69.773 -12.057 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 27.187 69.343 -11.418 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 25.958 70.221 -11.528 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 74.729 35.459 -10.907 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 75.335 35.193 -10.216 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 75.178 35.234 -11.721 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 43.455 6.638 35.815 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 42.922 6.814 36.591 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 43.625 7.502 35.440 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 23.165 25.304 0.483 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 22.372 25.572 0.947 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 23.649 26.119 0.345 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 41.804 15.894 25.789 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 42.683 16.181 26.035 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 41.381 15.678 26.620 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 43.591 74.517 -8.965 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 44.079 73.816 -8.532 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 42.693 74.187 -9.018 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 38.562 37.933 31.912 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 37.707 37.957 31.481 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 38.909 38.818 31.805 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 66.184 23.367 63.360 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 65.864 22.473 63.245 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 66.731 23.528 62.591 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 57.606 46.332 18.043 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 57.439 47.257 17.859 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 58.406 46.132 17.556 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 84.751 22.328 -12.829 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 84.652 23.267 -12.988 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 84.223 22.159 -12.049 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 32.605 50.524 45.135 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 33.519 50.726 44.933 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 32.500 50.776 46.052 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 40.787 16.497 9.722 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 41.404 17.156 9.405 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 41.216 15.660 9.543 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 80.268 62.141 10.951 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 81.077 61.639 11.047 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 79.572 61.518 11.158 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 33.177 33.482 62.692 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 32.288 33.159 62.542 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 33.131 34.416 62.485 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 66.520 0.497 52.928 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 65.649 0.135 52.766 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 66.356 1.330 53.370 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 84.345 31.067 -8.635 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 84.124 31.255 -7.723 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 84.561 30.134 -8.642 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 34.625 55.762 42.541 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 35.417 55.805 43.076 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 34.876 56.163 41.709 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 41.291 45.567 -6.069 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 40.723 46.301 -5.832 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 41.854 45.443 -5.305 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 56.925 61.986 46.176 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 56.194 61.439 46.462 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 56.663 62.306 45.313 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 81.290 63.495 -7.309 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 81.746 62.899 -6.715 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 80.380 63.198 -7.295 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 39.513 61.452 2.976 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 40.320 61.894 3.239 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 39.695 60.521 3.105 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 31.923 66.487 62.477 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 31.886 66.216 61.560 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 32.475 65.830 62.900 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 81.629 48.014 17.155 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 82.490 48.431 17.183 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 81.677 47.320 17.812 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 68.125 53.275 38.433 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 67.496 53.683 39.028 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 67.603 52.662 37.916 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 71.156 39.491 45.977 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 71.900 39.696 45.410 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 71.502 38.857 46.605 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 88.734 33.504 -19.118 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 88.590 34.444 -19.005 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 87.858 33.142 -19.254 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 56.853 84.698 56.470 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 56.958 84.633 55.520 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 55.927 84.508 56.622 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 33.171 56.609 7.272 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 34.014 56.156 7.300 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 33.392 57.533 7.386 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 83.553 42.080 -0.696 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 83.061 42.901 -0.727 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 84.256 42.245 -0.068 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 77.796 75.550 15.356 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 77.168 75.009 14.878 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 78.604 75.488 14.846 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 77.594 33.713 35.622 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 76.779 34.213 35.667 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 77.750 33.428 36.523 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 24.587 42.407 62.843 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 24.426 43.351 62.866 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 25.434 42.320 62.406 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 46.855 46.792 36.640 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 47.452 46.453 35.973 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 47.380 47.421 37.134 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 43.854 89.385 53.610 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 43.824 88.660 54.233 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 44.644 89.226 53.094 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 63.315 59.099 0.901 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 63.242 59.875 0.346 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 63.441 59.446 1.784 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 48.066 43.835 45.617 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 48.509 43.651 46.445 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 48.561 44.560 45.235 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 23.207 93.703 2.309 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 22.407 93.306 1.964 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 23.641 92.994 2.783 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 49.967 95.978 -16.497 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 49.129 95.708 -16.872 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 50.558 96.038 -17.248 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 80.104 23.544 46.449 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 79.280 23.912 46.128 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 80.725 24.271 46.405 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 65.797 35.727 64.929 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 65.785 36.321 64.179 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 65.763 36.303 65.693 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 21.854 61.566 64.466 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 21.102 61.607 63.876 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 21.542 61.961 65.281 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 33.494 12.454 2.155 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 32.909 12.389 2.910 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 33.931 11.603 2.116 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 63.939 83.658 65.656 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 63.766 82.855 66.147 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 64.200 83.357 64.786 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 55.895 11.534 26.098 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 56.301 10.942 26.732 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 55.187 11.020 25.709 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 34.860 0.602 -15.752 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 34.364 -0.215 -15.700 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 35.768 0.325 -15.873 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 85.834 51.922 -9.492 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 85.498 52.463 -10.207 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 85.558 51.033 -9.714 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 81.497 81.616 52.701 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 80.939 80.978 53.146 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 82.168 81.088 52.268 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 75.835 70.699 52.779 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 75.486 71.078 51.972 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 76.217 69.865 52.507 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 27.313 60.609 7.928 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 27.501 60.665 8.865 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 28.166 60.710 7.505 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 74.467 90.959 45.204 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 73.909 90.999 45.980 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 74.089 91.603 44.604 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 56.006 27.088 36.746 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 56.847 27.524 36.605 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 55.362 27.677 36.354 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 40.740 42.166 19.415 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 41.279 41.490 19.827 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 40.529 42.770 20.127 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 45.016 0.987 -0.634 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 45.328 0.432 -1.348 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 44.646 0.375 0.002 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 28.040 44.892 42.044 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 27.804 44.072 42.478 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 28.685 45.295 42.626 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 21.488 23.940 15.696 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 21.213 23.026 15.765 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 22.147 23.940 15.001 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 52.556 6.629 23.913 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 51.746 7.138 23.963 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 52.328 5.870 23.375 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 85.985 12.006 -6.289 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 86.518 12.545 -5.705 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 86.074 12.421 -7.147 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 32.053 3.025 -19.781 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 32.426 2.329 -20.322 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 32.474 2.917 -18.928 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 34.185 46.991 20.168 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 34.895 47.631 20.203 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 34.624 46.153 20.025 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 74.881 42.371 58.480 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 75.552 42.328 57.799 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 74.176 42.888 58.091 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 88.460 96.238 -0.087 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 87.713 96.000 -0.637 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 89.179 95.695 -0.411 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 56.299 19.874 -4.236 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 55.722 19.371 -4.811 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 55.706 20.322 -3.633 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 48.794 71.690 64.420 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 49.194 71.069 63.812 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 47.866 71.692 64.187 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 39.618 91.946 12.292 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 39.014 92.518 11.817 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 39.511 91.089 11.879 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 41.879 40.414 2.739 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 41.580 41.311 2.883 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 42.401 40.207 3.514 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 63.888 82.363 63.269 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 63.240 82.468 62.573 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 63.839 81.436 63.505 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 80.254 86.577 59.152 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 79.807 85.783 58.858 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 79.552 87.217 59.271 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 37.428 72.261 56.648 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 37.508 73.214 56.663 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 36.911 72.075 55.864 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 28.249 62.436 43.288 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 28.742 62.136 42.524 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 28.606 63.304 43.478 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 64.823 39.958 44.577 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 65.344 39.947 45.380 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 64.369 40.800 44.596 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 57.887 94.944 33.284 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 57.138 95.299 32.805 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 57.516 94.626 34.107 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 68.083 12.572 42.691 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 67.278 12.284 43.122 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 68.693 11.845 42.812 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 42.618 53.442 63.940 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 41.698 53.457 63.677 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 42.619 53.786 64.833 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 59.442 58.701 16.506 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 59.384 57.890 16.002 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 58.547 59.042 16.517 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 85.685 31.825 30.315 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 85.177 32.443 29.790 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 85.047 31.437 30.914 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 44.553 54.535 66.631 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 44.738 55.045 65.843 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 45.352 54.601 67.153 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 90.616 30.960 65.415 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 89.829 30.753 65.919 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 90.682 31.914 65.453 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 57.681 68.536 22.975 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 57.728 68.241 22.066 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 57.857 69.475 22.932 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 30.124 41.249 7.254 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 29.948 41.493 6.345 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 29.352 41.545 7.736 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 28.016 88.340 23.695 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 28.722 88.155 24.315 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 27.218 88.298 24.221 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 65.796 44.817 51.113 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 66.079 45.699 51.352 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 64.982 44.686 51.599 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 81.284 81.788 -7.041 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 80.758 81.091 -7.434 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 81.599 82.300 -7.786 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 39.933 92.997 62.025 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 39.561 92.175 62.344 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 39.982 92.886 61.076 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 29.094 75.973 13.668 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 29.424 76.759 14.104 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 28.586 76.305 12.928 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 70.289 44.497 -5.926 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 69.677 44.420 -6.658 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 69.784 44.221 -5.161 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 90.521 60.757 52.824 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 90.562 61.543 53.369 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 89.628 60.431 52.940 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 62.658 30.034 39.181 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 61.751 30.262 39.387 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 62.656 29.868 38.239 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 88.365 78.182 18.513 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 89.015 78.507 19.136 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 87.746 78.906 18.413 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 56.291 90.704 18.490 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 56.283 91.265 17.715 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 55.496 90.176 18.413 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 81.088 78.477 10.861 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 81.647 79.125 10.432 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 81.514 78.312 11.702 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 82.003 39.985 -10.902 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 81.308 39.466 -11.305 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 81.652 40.875 -10.873 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 34.256 64.446 58.149 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 34.410 63.504 58.085 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 33.834 64.677 57.322 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 53.265 82.544 41.051 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 54.130 82.721 40.682 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 52.775 82.145 40.332 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 38.005 14.492 24.262 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 38.705 14.948 23.795 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 37.824 13.719 23.728 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 43.543 12.955 6.335 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 43.673 13.750 6.851 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 43.139 12.337 6.943 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 66.255 60.591 1.361 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 67.078 60.516 1.844 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 65.684 59.933 1.757 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 75.254 68.635 -6.070 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 75.847 67.992 -5.681 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 74.460 68.139 -6.268 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 52.718 65.920 -8.853 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 53.504 66.031 -8.317 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 52.457 65.010 -8.711 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 85.700 57.426 -11.616 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 86.642 57.254 -11.602 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 85.424 57.324 -10.705 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 36.191 72.803 35.702 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 37.036 73.168 35.441 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 36.354 72.409 36.559 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 75.321 50.105 5.017 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 75.339 49.492 5.752 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 74.813 50.850 5.338 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 38.022 23.906 23.564 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 37.566 24.485 22.954 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 37.822 23.023 23.253 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 22.268 67.058 0.183 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 21.764 67.077 -0.631 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 22.617 66.167 0.228 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 65.082 57.760 -18.317 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 64.690 57.074 -17.776 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 64.590 58.550 -18.095 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 54.438 48.013 -0.832 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 54.407 47.445 -0.062 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 54.780 48.844 -0.504 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 46.069 5.117 8.639 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 45.935 5.357 9.556 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 46.859 4.577 8.646 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 87.939 46.599 37.053 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 86.994 46.725 36.967 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 88.029 45.764 37.513 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 51.650 36.906 54.072 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 51.131 36.515 53.369 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 51.002 37.196 54.715 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 81.142 57.375 1.157 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 81.090 56.703 0.477 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 80.542 57.074 1.839 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 58.586 38.903 -18.372 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 57.796 38.997 -17.840 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 58.642 39.722 -18.864 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 63.699 29.866 10.181 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 63.578 30.397 10.968 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 62.976 30.120 9.607 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 22.280 15.242 45.044 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 23.197 15.428 44.845 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 22.051 14.516 44.463 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 20.090 68.039 44.576 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 20.886 68.329 44.129 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 20.081 67.089 44.458 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 28.922 51.178 64.862 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 28.254 50.555 65.149 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 28.633 52.019 65.217 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 59.696 45.098 56.041 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 58.850 45.139 55.595 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 59.496 45.306 56.953 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 80.139 82.383 12.910 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 80.924 82.929 12.865 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 79.949 82.159 11.998 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 47.839 61.170 2.779 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 48.252 62.017 2.949 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 48.480 60.526 3.079 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 23.099 55.539 38.565 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 23.555 54.775 38.211 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 23.718 56.261 38.455 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 27.677 46.409 45.286 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 26.745 46.194 45.303 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 27.865 46.732 46.167 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 85.592 45.995 60.915 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 84.771 46.474 60.803 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 85.785 46.065 61.850 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 70.655 7.896 63.145 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 69.761 7.726 63.443 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 70.727 7.419 62.319 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 47.300 71.327 -4.940 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 47.470 71.640 -4.052 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 48.153 71.356 -5.373 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 33.424 3.864 17.699 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 33.240 3.077 17.187 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 33.724 3.534 18.546 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 88.540 55.976 44.769 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 89.219 55.359 44.495 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 87.897 55.437 45.228 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 28.489 8.493 59.557 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 29.120 9.150 59.851 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 28.086 8.879 58.779 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 40.965 54.361 37.764 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 40.959 55.318 37.755 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 40.814 54.111 36.852 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 63.541 46.475 46.112 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 63.264 47.320 46.464 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 63.255 46.489 45.199 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 86.942 81.777 2.074 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 86.958 81.705 1.119 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 86.894 80.872 2.382 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 77.614 68.648 51.677 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 78.464 68.625 51.238 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 77.658 67.943 52.324 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 37.320 89.862 58.726 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 37.260 90.816 58.761 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 37.976 89.686 58.052 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 34.250 0.485 33.599 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 35.039 -0.053 33.541 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 34.228 0.969 32.773 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 70.606 4.733 58.581 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 70.080 4.571 57.798 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 71.488 4.451 58.339 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 34.061 56.962 3.933 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 33.737 56.825 4.823 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 34.934 57.336 4.050 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 68.304 91.766 47.913 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 68.546 92.686 48.013 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 68.132 91.664 46.977 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 70.384 88.856 38.557 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 70.104 88.033 38.958 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 71.328 88.889 38.710 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 39.346 25.548 -17.793 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 38.734 25.835 -18.470 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 40.175 25.966 -18.026 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 50.176 51.347 0.839 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 50.120 51.422 1.792 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 50.949 51.860 0.603 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 59.754 83.868 6.159 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 59.797 83.237 6.877 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 59.123 83.490 5.546 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 65.430 93.419 41.961 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 65.165 94.108 41.352 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 65.207 92.603 41.513 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 36.717 3.658 42.518 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 36.816 4.411 43.102 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 36.921 2.901 43.067 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 51.914 84.919 34.082 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 50.963 84.867 34.170 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 52.207 84.008 34.107 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 77.495 27.335 -7.807 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 76.706 27.877 -7.816 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 77.178 26.447 -7.973 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 88.338 87.665 43.872 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 88.648 87.426 44.745 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 89.126 87.941 43.404 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 25.236 50.150 36.168 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 24.288 50.271 36.225 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 25.489 50.609 35.367 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 69.412 41.839 54.637 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 70.044 41.544 53.981 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 68.762 42.333 54.138 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 20.913 92.773 11.285 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 21.053 93.293 12.076 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 20.125 92.262 11.470 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 66.152 17.949 12.498 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 65.609 18.170 13.255 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 66.856 17.410 12.857 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 29.509 51.176 40.020 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 28.639 51.379 39.674 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 29.490 51.496 40.921 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 44.020 41.863 32.014 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 44.697 42.221 31.440 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 43.771 41.034 31.604 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 58.863 78.967 57.904 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 58.194 79.643 57.799 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 58.482 78.348 58.527 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 85.466 38.115 60.375 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 86.133 37.492 60.664 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 85.898 38.968 60.424 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 77.652 72.899 43.625 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 78.602 72.846 43.727 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 77.467 72.393 42.834 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 88.331 53.866 63.672 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 88.021 54.706 63.333 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 89.020 53.601 63.062 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 60.758 24.143 53.825 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 61.375 24.751 54.231 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 61.211 23.826 53.043 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 71.762 2.862 -10.428 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 71.373 2.051 -10.757 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 72.706 2.728 -10.515 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 81.093 38.534 33.857 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 80.355 39.062 33.551 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 80.891 37.646 33.563 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 87.053 45.618 -17.458 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 86.315 46.189 -17.673 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 86.894 45.351 -16.552 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 36.672 65.867 -11.147 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 37.432 65.352 -11.417 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 35.956 65.233 -11.102 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 62.207 61.316 51.701 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 61.952 60.488 51.294 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 61.713 61.981 51.222 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 65.507 90.327 12.776 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 64.782 89.727 12.955 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 66.225 89.759 12.498 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 89.436 94.731 39.183 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 89.519 93.930 38.665 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 89.813 95.414 38.628 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 68.990 80.931 -9.698 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 69.099 80.590 -8.810 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 69.134 80.173 -10.265 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 84.472 43.634 -9.348 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 84.569 42.885 -8.760 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 84.146 44.338 -8.788 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 85.011 26.710 -1.804 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 85.256 27.565 -1.452 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 85.814 26.191 -1.754 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 83.119 77.174 39.437 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 83.985 76.775 39.359 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 83.026 77.363 40.371 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 51.975 9.962 23.577 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 51.351 9.971 22.850 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 52.800 10.252 23.188 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 75.635 26.797 62.306 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 74.892 26.648 61.721 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 75.910 27.696 62.122 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 29.123 23.709 0.515 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 29.278 23.695 1.459 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 29.897 23.289 0.139 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 73.529 88.781 63.909 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 73.314 87.859 64.051 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 72.692 89.238 63.991 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 31.344 18.440 3.383 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 31.101 19.302 3.045 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 32.281 18.366 3.203 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 76.710 7.352 42.970 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 76.593 8.153 42.459 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 77.658 7.221 42.996 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 69.029 7.738 14.023 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 69.729 7.147 13.747 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 69.327 8.090 14.861 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 38.086 73.025 -17.211 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 38.437 72.593 -17.989 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 37.182 73.239 -17.442 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 22.378 14.002 -11.297 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 22.078 14.827 -11.679 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 22.112 13.334 -11.930 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 38.772 56.274 34.509 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 38.524 56.079 33.606 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 39.701 56.502 34.459 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 84.431 58.466 -14.013 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 83.548 58.265 -13.702 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 85.006 58.172 -13.307 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 41.091 0.161 33.512 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 40.866 0.301 34.431 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 41.955 -0.249 33.535 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 55.964 77.551 44.015 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 55.675 76.789 44.516 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 55.717 77.353 43.112 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 52.942 48.229 45.635 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 53.628 48.497 45.024 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 53.381 47.632 46.241 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 52.987 49.161 -6.836 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 52.852 48.374 -6.309 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 53.112 49.861 -6.194 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 47.374 63.830 55.090 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 47.171 63.094 54.513 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 46.971 64.587 54.665 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 87.525 88.477 3.818 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 87.049 87.647 3.817 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 87.215 88.931 4.602 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 29.773 50.744 32.714 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 30.136 49.974 33.152 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 29.578 50.445 31.826 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 29.704 19.788 14.797 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 30.186 20.240 15.489 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 29.798 20.353 14.030 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 68.557 37.603 64.262 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 68.332 37.449 65.180 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 68.610 36.728 63.878 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 63.280 19.355 -2.370 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 64.062 19.636 -1.895 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 62.553 19.585 -1.792 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 59.859 76.953 65.562 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 59.346 76.154 65.684 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 60.608 76.679 65.032 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 57.538 73.713 56.423 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 57.357 73.984 57.323 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 58.421 74.038 56.247 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 47.985 31.029 -10.163 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 48.248 31.233 -9.265 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 48.720 30.531 -10.521 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 56.305 29.441 39.919 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 56.223 30.334 40.255 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 55.845 29.458 39.080 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 35.709 90.590 38.830 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 35.858 90.086 39.630 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 36.452 90.372 38.267 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 41.697 54.863 18.467 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 40.759 54.862 18.657 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 41.998 55.726 18.752 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 40.429 32.085 34.045 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 40.582 31.815 33.140 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 40.696 33.003 34.071 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 62.321 5.805 56.554 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 63.257 5.979 56.649 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 62.232 4.867 56.725 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 72.540 14.772 -7.426 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 71.885 14.731 -6.729 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 72.817 15.688 -7.440 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 74.640 48.070 -4.897 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 74.904 47.230 -4.522 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 73.864 48.323 -4.396 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 53.743 80.803 -1.861 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 53.604 79.859 -1.930 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 53.861 81.095 -2.765 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 49.133 47.423 -4.433 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 49.135 48.193 -5.001 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 48.430 47.588 -3.806 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 57.616 68.589 57.978 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 57.952 69.406 58.346 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 57.686 67.957 58.694 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 31.895 24.490 61.273 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 32.048 25.171 61.928 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 31.844 23.678 61.777 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 28.619 34.434 9.674 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 28.383 33.936 8.892 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 28.037 35.194 9.660 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 48.448 16.719 19.376 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 47.919 17.450 19.696 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 47.985 16.409 18.598 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 30.937 19.515 -0.413 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 31.360 20.110 0.207 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 31.596 19.368 -1.092 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 43.142 24.776 36.294 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 43.995 24.523 35.939 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 43.234 25.707 36.497 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 89.537 95.131 65.477 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 90.342 95.541 65.160 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 88.843 95.526 64.950 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 22.182 66.402 23.119 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 21.825 65.562 22.831 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 21.688 66.614 23.911 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 74.658 74.524 13.850 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 74.259 73.811 13.350 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 74.046 74.684 14.568 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 88.020 72.537 21.935 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 88.742 72.190 21.412 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 87.518 73.075 21.323 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 63.426 33.257 40.079 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 62.509 33.516 39.988 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 63.895 33.805 39.449 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 42.039 18.162 41.109 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 41.571 17.973 41.922 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 41.348 18.333 40.468 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 64.423 67.621 59.757 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 65.150 67.019 59.595 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 64.229 67.999 58.900 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 84.858 11.419 54.076 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 84.559 11.460 53.168 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 85.261 10.555 54.157 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 84.355 40.036 -4.987 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 84.613 39.952 -4.069 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 83.402 39.949 -4.978 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 77.255 33.663 -3.162 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 77.754 33.987 -3.911 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 76.489 34.235 -3.118 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 33.090 5.971 -17.573 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 32.164 6.100 -17.775 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 33.368 6.799 -17.179 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 48.286 78.631 -16.813 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 47.604 78.928 -17.416 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 48.447 79.384 -16.244 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 55.647 17.214 0.126 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 55.536 18.155 -0.006 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 55.172 17.027 0.936 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 85.843 38.115 33.782 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 85.174 38.036 34.461 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 85.405 37.833 32.979 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 29.005 58.642 39.162 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 29.335 59.523 38.990 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 29.396 58.101 38.476 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 50.967 81.907 58.083 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 50.607 82.456 58.779 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 51.655 81.397 58.511 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 82.867 83.156 16.835 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 83.402 83.948 16.875 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 82.304 83.208 17.608 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 90.571 21.586 -12.707 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 90.949 22.403 -12.381 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 89.673 21.587 -12.375 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 45.962 25.302 -0.302 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 46.024 24.396 -0.603 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 45.744 25.802 -1.088 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 70.598 87.535 48.976 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 71.457 87.895 49.194 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 70.637 86.625 49.272 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 43.469 3.260 64.041 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 43.450 2.615 63.333 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 43.811 2.779 64.795 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 80.821 94.085 -1.110 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 81.303 93.258 -1.078 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 79.984 93.890 -0.687 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 75.163 13.888 46.484 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 75.595 14.106 45.658 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 74.231 13.855 46.266 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 37.552 15.309 27.433 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 38.109 14.808 26.836 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 37.916 16.194 27.414 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 54.537 71.985 -0.748 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 55.169 72.700 -0.679 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 54.804 71.363 -0.071 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 62.912 95.192 -17.565 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 62.435 95.881 -17.102 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 62.394 95.031 -18.355 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 61.312 35.226 45.979 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 60.792 35.933 45.597 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 61.835 34.892 45.251 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 25.797 70.179 30.317 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 26.727 70.402 30.296 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 25.744 69.423 30.901 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 81.881 22.157 62.014 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 82.729 22.434 61.667 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 81.927 22.357 62.949 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 66.962 63.823 63.648 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 67.834 64.172 63.833 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 66.627 63.551 64.502 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 62.446 93.554 61.734 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 62.074 92.737 61.402 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 63.368 93.519 61.480 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 30.881 70.506 34.322 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 31.534 71.146 34.040 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 31.377 69.867 34.833 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 43.629 38.108 17.716 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 43.757 37.950 18.651 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 43.282 37.282 17.379 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 66.499 18.070 62.238 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 66.150 17.402 62.828 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 65.824 18.175 61.568 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 87.167 1.900 -0.674 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 86.731 1.976 0.175 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 87.797 1.189 -0.557 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 29.655 24.579 41.782 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 30.457 25.100 41.742 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 29.544 24.241 40.893 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 46.717 27.011 61.828 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 47.133 27.853 61.643 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 46.820 26.510 61.019 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 20.093 3.221 -7.695 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 20.976 3.493 -7.946 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 19.556 3.410 -8.465 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 49.909 93.762 33.023 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 49.808 92.816 33.130 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 50.272 93.866 32.143 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 89.732 -0.214 17.116 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 88.872 -0.282 16.700 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 89.630 0.482 17.766 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 37.801 51.640 51.579 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 38.050 52.450 51.133 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 37.462 51.927 52.427 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 38.504 27.856 50.793 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 38.986 27.224 50.259 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 37.897 27.323 51.306 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 84.207 67.436 15.715 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 84.804 67.377 16.460 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 83.842 68.319 15.770 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 79.455 26.491 47.851 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 78.553 26.339 47.568 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 79.940 26.638 47.039 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 55.724 19.002 30.180 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 56.673 19.023 30.052 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 55.371 19.491 29.437 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 76.266 74.884 11.800 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 75.434 74.576 11.440 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 76.067 75.106 12.709 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 33.163 85.941 34.181 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 32.446 86.495 34.490 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 32.829 85.542 33.378 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 38.520 2.657 52.173 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 39.294 2.279 52.589 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 37.838 2.605 52.842 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 40.252 39.385 -0.905 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 40.949 40.008 -1.112 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 40.515 39.000 -0.069 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 59.139 32.975 -2.641 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 59.969 33.273 -3.015 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 59.049 33.473 -1.829 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 77.226 57.399 -3.810 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 77.976 56.851 -3.578 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 77.199 57.376 -4.767 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 45.786 63.317 -4.134 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 45.172 62.678 -3.773 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 45.563 64.138 -3.695 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 27.415 52.781 31.785 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 27.152 52.090 32.393 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 27.393 52.365 30.924 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 60.131 88.436 62.050 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 60.925 88.657 62.537 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 59.953 87.525 62.282 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 59.448 0.340 55.028 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 60.163 0.390 54.393 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 58.822 -0.270 54.637 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 41.468 54.287 1.891 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 41.164 53.769 2.636 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 41.993 54.986 2.283 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 90.379 49.867 4.531 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 90.731 49.448 5.316 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 89.480 49.544 4.468 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 88.064 63.471 -17.898 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 87.886 64.239 -17.355 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 87.263 63.347 -18.408 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 52.257 3.185 61.796 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 52.970 2.869 62.351 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 52.416 2.777 60.945 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 66.198 19.622 56.807 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 66.351 19.812 57.733 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 66.008 18.685 56.783 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 38.614 33.178 23.063 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 37.950 33.861 22.976 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 39.434 33.607 22.817 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 27.960 78.536 49.416 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 27.232 77.975 49.680 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 27.644 78.988 48.633 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 77.764 12.258 60.918 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 77.760 11.733 60.118 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 76.840 12.440 61.090 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 26.841 57.259 9.272 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 27.404 57.752 8.675 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 26.961 57.685 10.121 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 57.356 94.400 -15.766 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 57.122 93.967 -14.945 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 58.070 94.992 -15.530 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 50.822 92.511 27.942 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 51.345 93.192 28.364 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 50.118 92.987 27.501 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 78.810 82.193 48.568 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 79.226 81.416 48.195 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 79.448 82.894 48.437 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 86.969 77.238 -18.639 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 87.854 77.194 -18.277 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 86.431 77.563 -17.917 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 44.571 86.017 -11.699 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 43.847 85.832 -11.100 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 44.147 86.206 -12.536 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 82.583 0.408 53.008 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 82.783 1.274 52.652 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 82.781 -0.196 52.293 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 43.466 85.921 11.104 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 44.293 85.935 10.622 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 43.458 85.069 11.541 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 41.706 29.732 28.104 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 40.908 29.477 28.566 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 42.178 30.285 28.727 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 46.101 73.272 -2.659 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 45.214 73.101 -2.976 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 45.988 73.930 -1.973 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 74.071 89.921 56.147 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 74.405 89.262 56.755 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 74.547 90.720 56.373 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 59.791 29.996 65.111 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 58.874 30.101 65.363 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 60.083 30.881 64.894 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 23.839 40.726 56.201 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 23.279 41.498 56.277 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 23.316 40.098 55.704 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 66.952 18.194 -12.098 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 66.792 19.105 -11.849 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 66.740 17.690 -11.313 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 78.379 28.804 5.691 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 77.514 28.421 5.543 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 78.570 28.616 6.610 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 25.850 69.292 7.469 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 25.354 69.933 7.978 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 26.138 68.646 8.114 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 54.607 2.441 15.351 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 55.473 2.581 14.968 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 54.775 2.325 16.287 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 34.304 18.636 24.617 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 34.860 19.304 24.216 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 34.755 17.811 24.442 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 24.054 5.560 54.725 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 24.803 6.102 54.971 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 24.373 4.660 54.801 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 77.802 34.707 18.924 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 77.089 34.895 19.535 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 77.608 33.830 18.592 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 85.296 95.251 50.705 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 84.700 94.706 50.192 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 85.347 94.817 51.556 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 71.356 95.381 40.081 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 70.429 95.365 40.318 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 71.657 94.484 40.226 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 54.729 33.330 -6.467 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 54.236 34.079 -6.131 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 55.358 33.712 -7.080 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 40.708 24.599 63.404 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 39.926 25.001 63.026 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 41.434 25.126 63.070 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 34.485 24.743 66.584 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 33.787 24.176 66.912 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 35.292 24.265 66.776 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 58.715 21.870 -15.532 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 58.448 22.784 -15.435 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 59.465 21.901 -16.126 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 81.767 23.852 -13.779 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 82.383 24.146 -13.108 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 82.092 24.242 -14.591 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 50.815 83.125 13.212 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 51.383 82.927 12.468 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 50.096 82.497 13.139 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 53.949 87.642 -9.490 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 54.067 86.692 -9.487 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 54.745 87.984 -9.083 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 38.282 26.525 30.500 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 38.355 26.355 29.561 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 38.612 27.417 30.609 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 77.948 75.632 24.371 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 77.511 75.052 23.746 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 77.403 75.591 25.157 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 42.839 1.811 13.741 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 42.943 0.864 13.646 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 42.734 2.132 12.845 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 30.517 26.811 26.129 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 30.272 25.946 25.799 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 31.444 26.728 26.354 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 38.076 33.980 -13.956 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 38.616 34.732 -14.196 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 37.374 34.350 -13.420 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 47.434 80.469 31.314 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 47.833 80.413 30.445 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 47.448 79.571 31.644 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 68.309 85.746 38.266 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 68.024 86.282 39.006 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 67.562 85.748 37.667 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 59.651 69.439 -8.157 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 60.201 69.295 -7.387 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 59.164 70.238 -7.958 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 63.400 73.584 23.260 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 63.059 72.989 22.593 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 62.741 74.275 23.325 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 36.759 15.041 43.795 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 36.538 14.757 42.908 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 36.154 15.761 43.974 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 44.910 21.545 31.254 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 44.407 20.739 31.137 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 44.913 21.691 32.200 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 74.636 -0.022 57.843 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 73.807 -0.034 57.364 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 74.486 0.586 58.567 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 82.827 65.581 36.906 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 83.620 65.089 36.692 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 82.479 65.149 37.686 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 33.695 23.250 20.820 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 33.985 23.175 21.730 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 34.506 23.260 20.311 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 60.786 51.262 62.241 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 61.285 51.951 61.802 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 60.360 51.705 62.975 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 65.753 31.829 53.597 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 64.815 31.967 53.729 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 66.167 32.591 54.003 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 79.880 85.574 10.148 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 80.140 86.260 9.534 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 80.669 85.044 10.264 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 41.971 75.940 24.661 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 42.730 75.643 25.163 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 41.977 75.397 23.873 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 87.763 59.053 48.483 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 88.223 58.221 48.373 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 87.954 59.316 49.383 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 22.966 77.097 -12.911 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 23.444 76.881 -13.712 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 23.354 76.535 -12.241 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 24.913 18.925 50.523 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 25.571 18.890 51.218 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 24.928 18.051 50.134 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 37.348 43.382 14.914 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 37.843 42.642 15.266 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 37.754 44.153 15.311 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 77.324 50.185 34.822 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 76.689 49.824 35.440 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 76.879 50.937 34.432 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 22.578 54.735 4.156 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 21.872 55.254 4.540 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 22.310 53.827 4.293 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 89.192 69.473 23.278 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 89.496 68.601 23.531 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 88.548 69.311 22.588 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 67.277 27.386 -10.804 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 67.482 27.329 -9.871 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 66.657 28.112 -10.870 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 42.846 39.820 7.569 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 42.991 38.904 7.331 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 42.565 39.789 8.483 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 85.716 68.438 57.799 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 85.201 67.982 57.133 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 86.606 68.104 57.685 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 88.655 88.694 10.704 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 87.876 88.846 11.238 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 89.276 88.276 11.301 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 48.655 39.360 53.429 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 49.165 39.829 54.089 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 47.745 39.590 53.620 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 45.491 7.774 -17.320 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 45.047 8.459 -17.821 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 46.035 8.250 -16.692 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 37.850 39.568 0.667 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 37.906 39.485 -0.285 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 37.015 40.010 0.821 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 60.611 13.328 46.182 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 59.713 13.288 45.853 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 61.087 13.833 45.522 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 42.381 39.852 10.888 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 42.003 39.356 11.614 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 42.838 40.581 11.308 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 36.235 63.311 -10.628 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 35.471 62.906 -11.039 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 36.981 62.815 -10.966 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 20.675 28.576 22.162 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 20.475 28.977 21.316 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 21.631 28.539 22.190 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 28.185 42.040 -4.964 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 27.670 41.448 -5.512 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 27.540 42.631 -4.576 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 77.423 47.631 19.117 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 77.465 46.705 19.357 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 77.220 47.627 18.181 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 60.194 26.135 32.163 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 60.441 25.511 31.481 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 60.248 25.634 32.977 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 65.004 93.929 10.086 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 64.438 94.207 10.806 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 64.883 92.981 10.038 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 28.578 50.665 -4.434 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 28.339 50.813 -3.519 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 28.313 49.762 -4.609 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 22.936 89.357 -2.811 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 22.190 89.474 -2.224 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 22.864 88.451 -3.112 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 46.683 93.840 24.480 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 46.099 93.105 24.291 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 46.659 94.376 23.687 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 50.231 40.338 23.298 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 50.589 39.451 23.298 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 50.931 40.881 22.936 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 56.856 18.986 16.595 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 56.287 19.524 17.145 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 56.634 19.239 15.699 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 85.710 81.118 42.988 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 86.506 81.250 43.504 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 85.884 81.565 42.160 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 32.768 64.264 55.685 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 32.653 63.323 55.816 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 32.724 64.383 54.737 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 87.509 46.743 27.787 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 86.705 46.930 28.271 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 87.613 45.794 27.852 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 36.009 69.447 14.008 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 36.875 69.606 13.631 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 36.151 68.748 14.647 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 58.462 23.633 42.888 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 57.506 23.621 42.840 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 58.728 22.765 42.585 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 49.296 74.179 49.537 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 49.064 74.494 48.663 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 50.248 74.082 49.513 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 40.009 26.608 3.043 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 40.717 27.244 2.941 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 40.258 25.879 2.475 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 56.260 14.220 47.240 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 56.287 13.286 47.030 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 57.098 14.560 46.926 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 62.443 27.947 3.268 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 62.592 28.575 2.561 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 62.554 27.090 2.855 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 31.731 33.008 41.469 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 30.811 32.744 41.512 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 32.172 32.443 42.103 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 79.516 38.959 65.676 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 79.074 38.820 64.839 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 78.841 39.328 66.246 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 86.220 41.777 12.197 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 87.074 41.415 11.958 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 86.236 41.816 13.153 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 67.821 7.196 49.664 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 68.325 6.814 48.945 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 66.907 7.079 49.405 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 42.316 38.882 23.550 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 43.180 38.918 23.140 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 41.985 38.009 23.338 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 40.537 45.550 38.833 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 39.925 45.224 39.493 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 40.310 46.474 38.731 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 67.185 80.588 23.639 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 67.178 81.472 23.272 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 66.375 80.190 23.319 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 58.076 23.940 -8.861 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 58.338 23.379 -9.592 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 57.485 23.395 -8.341 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 61.573 82.011 -6.486 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 62.107 82.756 -6.763 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 61.491 82.115 -5.538 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 34.609 68.268 -1.318 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 34.385 68.351 -0.391 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 34.809 67.339 -1.434 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 55.019 46.287 20.342 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 54.223 46.657 19.960 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 55.719 46.558 19.748 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 22.412 73.380 -9.218 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 22.691 72.573 -9.650 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 22.534 73.207 -8.284 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 55.495 16.125 6.451 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 54.908 15.369 6.439 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 55.855 16.135 7.338 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 34.957 76.246 35.763 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 34.803 77.105 36.157 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 35.604 76.409 35.077 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 75.513 8.744 -14.760 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 76.376 9.092 -14.987 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 75.631 7.794 -14.757 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 42.208 12.347 57.918 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 42.052 11.536 57.435 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 41.953 12.143 58.818 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 87.848 72.681 59.091 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 88.100 72.480 58.190 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 87.980 73.625 59.173 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 38.270 9.553 -10.213 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 38.432 10.362 -10.699 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 37.347 9.357 -10.373 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 28.419 88.735 21.165 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 28.209 88.616 22.092 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 29.234 88.249 21.040 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 50.992 57.400 51.945 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 50.749 56.474 51.948 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 51.861 57.422 52.345 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 83.918 43.537 54.437 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 83.246 43.402 53.768 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 83.577 44.251 54.977 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 37.589 85.607 43.514 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 38.047 84.768 43.460 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 38.083 86.187 42.934 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 40.792 21.559 60.883 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 40.169 20.833 60.845 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 41.629 21.171 60.628 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 88.668 81.778 21.120 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 88.408 82.419 20.459 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 88.289 82.107 21.935 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 37.007 48.430 34.442 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 37.963 48.455 34.398 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 36.765 49.245 34.880 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 27.645 42.332 42.799 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 27.515 41.866 41.973 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 27.117 41.846 43.434 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 50.332 94.489 49.655 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 49.910 95.338 49.786 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 50.313 94.356 48.707 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 73.792 35.627 49.259 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 73.963 34.968 49.932 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 73.584 35.120 48.474 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 27.700 53.383 63.584 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 27.802 54.001 64.308 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 26.799 53.508 63.286 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 32.767 43.482 8.290 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 32.005 42.905 8.247 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 33.203 43.245 9.108 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 54.054 77.621 16.242 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 53.192 77.646 16.658 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 54.373 76.733 16.405 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 88.669 44.423 16.890 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 89.595 44.281 16.693 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 88.297 44.753 16.072 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 69.174 48.370 33.674 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 68.560 47.643 33.775 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 69.050 48.666 32.773 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 37.386 30.439 60.369 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 37.468 29.490 60.283 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 36.448 30.589 60.495 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 39.482 89.036 2.848 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 40.095 88.378 2.521 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 38.879 89.185 2.120 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 36.741 18.152 16.498 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 37.605 18.229 16.902 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 36.593 19.002 16.084 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 78.886 39.311 32.241 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 78.974 38.512 31.720 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 78.234 39.832 31.773 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 75.694 79.816 33.836 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 76.350 79.292 33.375 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 75.697 79.472 34.729 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 63.544 32.761 27.841 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 64.192 32.920 27.155 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 62.852 33.400 27.672 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 59.561 40.886 -14.790 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 59.778 41.672 -14.287 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 60.407 40.554 -15.092 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 59.183 62.880 55.608 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 60.060 62.893 55.225 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 58.595 62.793 54.857 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 82.292 45.278 18.737 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 83.021 45.368 19.350 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 82.057 44.351 18.778 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 25.119 41.262 11.942 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 25.159 42.128 11.537 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 25.029 41.439 12.878 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 38.731 58.094 -0.289 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 39.353 58.146 0.437 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 38.232 58.909 -0.237 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 38.003 36.535 -16.336 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 37.548 35.949 -16.942 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 38.864 36.135 -16.217 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 30.189 63.885 10.316 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 29.569 63.478 10.921 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 30.733 64.444 10.870 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 27.522 30.651 13.660 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 27.576 31.398 14.256 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 27.274 29.915 14.220 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 69.454 77.233 -6.809 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 69.119 76.906 -5.974 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 69.798 76.456 -7.251 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 31.896 43.953 21.312 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 31.144 43.936 20.720 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 32.540 44.504 20.866 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 60.444 1.395 60.786 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 60.109 1.701 59.943 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 60.803 0.527 60.600 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 48.407 41.414 56.874 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 49.322 41.592 56.653 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 48.136 42.167 57.399 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 43.137 15.475 44.212 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 42.523 15.186 43.537 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 42.792 16.318 44.505 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 86.716 63.211 1.341 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 85.858 62.811 1.197 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 87.168 63.118 0.502 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 86.606 28.704 13.238 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 86.383 27.831 13.559 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 86.436 28.666 12.297 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 60.146 52.427 33.525 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 59.627 52.092 32.794 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 59.990 53.371 33.517 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 62.935 86.577 15.861 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 63.397 85.739 15.890 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 62.037 86.347 15.624 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 29.702 67.436 -9.154 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 29.247 67.013 -8.425 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 29.085 68.094 -9.473 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 26.359 86.379 -1.944 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 26.997 86.084 -1.293 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 25.522 86.037 -1.632 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 68.767 40.185 47.155 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 68.670 41.111 46.932 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 69.435 39.862 46.552 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 27.706 52.607 0.874 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 28.434 52.820 1.458 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 26.953 53.060 1.253 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 83.595 25.631 8.452 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 82.671 25.854 8.563 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 83.961 26.363 7.956 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 49.287 73.551 0.053 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 49.964 73.800 -0.577 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 49.726 72.944 0.649 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 43.400 56.433 15.430 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 43.964 55.904 15.993 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 43.671 57.335 15.598 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 83.962 64.199 27.633 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 83.667 63.292 27.714 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 84.880 64.129 27.370 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 67.991 58.123 57.273 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 68.766 58.006 56.724 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 67.258 57.878 56.709 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 36.483 91.279 -12.985 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 36.866 90.587 -13.523 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 35.634 90.929 -12.714 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 55.102 56.610 62.069 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 56.008 56.459 61.800 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 54.752 55.735 62.238 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 54.436 27.765 5.849 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 55.272 27.448 5.505 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 54.661 28.562 6.328 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 63.257 67.749 48.353 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 62.835 67.506 47.528 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 62.762 67.278 49.023 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 34.354 16.107 8.997 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 33.969 16.803 9.530 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 35.239 16.415 8.803 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 41.191 57.206 -11.743 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 40.904 56.516 -11.145 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 41.263 57.986 -11.193 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 29.001 40.176 61.951 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 29.922 40.350 61.756 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 28.665 39.752 61.161 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 38.328 62.510 40.529 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 39.198 62.114 40.478 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 38.477 63.440 40.357 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 35.516 86.394 25.002 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 36.115 85.668 24.830 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 34.706 85.974 25.292 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 55.435 18.984 -15.907 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 54.871 19.444 -16.529 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 56.117 19.619 -15.688 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 62.461 74.105 39.755 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 61.630 73.634 39.816 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 62.246 75.005 39.999 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 70.843 76.318 -18.582 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 70.515 75.516 -18.174 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 70.521 77.022 -18.018 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 58.462 65.678 -11.861 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 57.651 65.227 -11.625 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 58.186 66.569 -12.077 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 60.552 43.411 59.209 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 61.064 44.200 59.031 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 61.154 42.836 59.682 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 55.497 14.846 35.903 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 55.129 15.181 36.721 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 55.654 15.627 35.373 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 63.307 46.836 37.219 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 63.369 46.532 36.313 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 64.177 47.184 37.415 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 69.104 46.874 40.300 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 69.134 46.884 39.344 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 68.476 47.560 40.527 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 55.041 96.045 56.293 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 55.574 95.602 55.633 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 54.751 95.345 56.877 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 84.488 64.594 60.700 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 85.384 64.349 60.468 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 84.144 65.017 59.914 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 35.394 88.582 -12.020 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 35.068 88.276 -11.173 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 36.336 88.418 -11.988 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 85.868 20.710 8.929 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 85.754 21.615 9.219 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 86.400 20.777 8.136 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 68.574 20.314 44.782 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 68.689 19.484 44.319 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 68.947 20.970 44.193 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 27.269 57.898 -13.402 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 28.156 58.198 -13.204 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 27.345 56.946 -13.459 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 79.064 60.211 -7.691 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 79.377 61.115 -7.738 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 78.118 60.290 -7.569 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 29.021 48.819 5.141 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 28.701 48.863 4.240 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 28.957 49.718 5.463 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 20.688 33.741 14.811 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 21.641 33.814 14.847 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 20.419 34.415 14.187 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 87.850 67.244 66.475 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 87.157 67.799 66.834 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 87.390 66.481 66.127 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 62.426 88.926 63.356 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 62.978 89.160 62.609 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 63.041 88.786 64.075 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 41.202 49.917 13.716 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 41.753 49.360 14.266 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 41.808 50.550 13.332 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 71.486 86.274 7.331 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 71.029 85.869 6.593 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 72.304 85.783 7.405 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 27.673 82.592 22.224 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 27.398 82.752 23.127 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 27.360 83.356 21.739 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 67.760 29.022 -16.289 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 66.922 28.675 -16.596 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 67.530 29.585 -15.550 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 70.003 31.199 44.717 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 69.973 31.266 45.672 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 69.166 30.800 44.478 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 71.006 43.653 11.740 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 71.248 44.389 11.178 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 70.208 43.941 12.182 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 85.318 66.225 49.671 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 84.805 65.835 48.964 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 85.182 65.641 50.417 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 46.017 82.672 -9.639 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 45.288 83.279 -9.762 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 45.601 81.837 -9.426 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 23.104 88.985 8.386 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 22.194 88.912 8.672 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 23.451 89.730 8.877 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 89.874 36.979 44.823 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 90.099 36.071 44.620 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 90.445 37.210 45.556 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 58.062 44.290 44.089 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 57.682 44.069 43.238 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 58.492 43.484 44.375 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 28.116 81.889 -4.828 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 28.531 82.248 -5.613 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 28.258 80.944 -4.893 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 30.831 88.099 -6.374 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 29.946 88.330 -6.655 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 30.838 88.277 -5.433 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 27.265 55.172 59.584 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 26.830 55.523 58.807 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 26.634 54.554 59.954 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 37.548 14.824 8.743 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 37.260 15.136 7.886 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 38.494 14.709 8.651 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 88.893 55.870 58.996 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 88.393 55.207 58.521 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 89.222 56.457 58.315 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 70.941 93.903 9.842 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 70.827 93.142 10.412 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 71.882 93.931 9.666 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 79.189 38.115 -10.770 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 79.073 37.258 -11.180 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 79.333 37.920 -9.844 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 79.640 86.451 -8.460 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 80.355 87.062 -8.282 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 79.686 85.814 -7.747 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 68.292 94.492 8.858 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 69.227 94.288 8.837 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 67.864 93.644 8.973 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 44.120 34.169 8.151 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 43.218 33.851 8.191 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 44.213 34.725 8.925 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 33.001 69.746 66.183 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 32.194 69.239 66.088 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 33.656 69.247 65.694 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 62.739 53.440 26.635 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 62.082 52.875 27.041 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 62.231 54.087 26.146 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 47.584 46.903 23.237 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 47.847 46.803 22.322 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 47.399 47.837 23.333 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 30.478 26.346 0.969 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 30.405 25.462 1.330 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 30.388 26.227 0.024 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 74.363 60.971 37.179 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 74.186 61.445 37.991 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 73.857 60.162 37.258 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 41.635 3.690 31.987 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 42.444 3.990 32.401 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 41.764 3.863 31.054 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 26.347 12.597 39.818 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 27.237 12.479 39.487 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 26.075 11.721 40.093 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 50.418 12.083 -6.708 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 51.068 11.381 -6.671 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 50.261 12.313 -5.792 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 31.573 81.112 -13.269 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 32.469 81.263 -12.967 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 31.026 81.593 -12.648 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 48.768 88.796 34.134 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 48.340 88.064 33.690 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 48.826 88.522 35.049 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 34.307 10.540 67.379 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 33.916 11.393 67.193 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 34.209 10.048 66.563 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 77.748 18.185 7.552 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 78.438 18.650 7.078 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 77.684 18.642 8.391 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 77.091 15.888 -7.775 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 76.261 16.362 -7.716 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 77.298 15.884 -8.710 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 55.925 52.934 -13.034 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 55.665 53.691 -12.509 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 55.585 52.180 -12.552 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 31.440 79.967 18.126 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 31.560 80.904 17.967 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 30.491 79.843 18.122 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 29.921 34.274 17.516 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 29.923 35.231 17.535 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 30.661 34.022 18.068 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 52.574 56.351 -18.016 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 52.670 55.410 -17.872 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 52.387 56.433 -18.952 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 48.321 4.258 57.924 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 49.116 3.896 57.532 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 48.169 3.719 58.700 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 77.787 55.813 -9.486 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 78.384 55.327 -10.055 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 77.234 55.140 -9.088 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 42.117 52.098 12.099 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 41.447 52.615 12.545 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 42.668 52.745 11.660 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 70.193 81.111 54.212 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 69.601 80.957 53.475 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 69.628 81.084 54.984 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 30.202 56.680 -5.277 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 31.092 56.915 -5.541 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 30.171 55.727 -5.360 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 69.933 38.818 19.240 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 70.074 38.680 18.303 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 69.595 39.712 19.303 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 84.253 95.307 37.579 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 83.852 94.704 36.954 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 84.604 96.015 37.039 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 75.694 68.297 3.441 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 75.686 67.806 2.620 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 74.778 68.531 3.591 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 41.533 87.843 9.802 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 41.261 87.216 9.133 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 42.348 87.482 10.153 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 59.773 77.982 -5.053 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 60.653 78.223 -4.762 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 59.305 77.764 -4.247 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 47.713 86.580 27.165 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 47.973 87.058 26.377 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 47.889 85.663 26.957 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 35.177 95.506 59.709 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 34.355 95.024 59.625 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 35.238 95.717 60.640 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 63.730 89.015 17.037 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 63.696 89.008 17.994 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 63.483 88.126 16.782 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 83.194 29.922 46.477 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 83.620 29.066 46.457 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 83.566 30.357 47.245 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 53.203 91.840 12.192 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 53.879 91.164 12.243 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 52.462 91.406 11.770 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 40.564 80.088 57.649 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 40.505 80.831 57.048 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 40.841 80.474 58.481 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 33.829 35.382 56.378 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 34.470 35.214 57.069 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 33.961 34.670 55.751 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 72.802 56.119 53.938 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 72.309 56.807 53.491 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 73.634 56.075 53.468 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 29.833 57.156 0.379 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 29.420 57.964 0.685 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 30.745 57.233 0.657 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 61.881 46.371 -7.981 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 61.051 46.171 -7.548 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 62.545 46.218 -7.309 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 22.911 6.040 31.509 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 23.854 6.180 31.588 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 22.763 5.921 30.571 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 21.278 49.699 23.270 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 20.594 50.197 22.821 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 21.944 50.350 23.490 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 24.716 43.922 1.930 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 25.168 43.919 2.774 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 23.788 43.851 2.154 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 29.839 64.054 63.321 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 29.037 64.449 62.979 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 30.272 64.763 63.798 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 29.975 29.003 -6.100 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 30.848 29.364 -5.947 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 29.628 29.515 -6.830 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 89.429 18.269 6.134 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 89.876 19.115 6.105 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 89.393 17.984 5.221 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 24.522 37.671 59.021 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 24.078 37.541 58.183 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 25.452 37.707 58.797 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 35.088 43.846 35.499 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 36.021 43.818 35.287 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 34.660 44.061 34.670 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 31.968 13.557 -18.669 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 32.755 13.056 -18.452 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 32.202 14.465 -18.477 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 38.659 28.765 -11.469 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 39.171 28.224 -10.867 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 38.714 28.308 -12.308 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 29.346 94.109 10.076 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 29.957 94.012 10.806 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 28.619 94.615 10.437 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 81.710 92.307 57.839 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 82.122 93.069 58.245 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 82.169 92.201 57.006 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 20.369 68.064 -5.318 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 20.804 68.008 -6.168 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 19.991 67.194 -5.184 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 85.092 60.224 60.711 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 85.854 60.476 60.190 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 84.722 61.054 61.014 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 45.771 10.010 28.381 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 46.092 9.653 27.553 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 46.035 9.366 29.038 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 62.032 91.002 1.003 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 61.706 90.233 0.537 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 61.348 91.662 0.886 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 40.968 65.889 12.754 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 41.625 65.532 13.353 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 41.458 66.100 11.959 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 24.831 69.229 35.054 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 24.447 70.103 35.116 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 24.423 68.842 34.279 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 45.043 61.538 -2.205 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 45.203 62.369 -1.758 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 45.564 60.899 -1.718 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 37.729 32.650 25.938 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 37.610 32.757 24.994 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 38.159 33.457 26.220 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 43.003 50.944 6.666 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 43.239 50.085 7.016 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 43.630 51.546 7.067 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 47.178 96.429 16.727 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 46.957 95.778 17.394 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 48.135 96.459 16.730 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 54.558 39.312 21.540 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 54.228 40.198 21.394 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 55.308 39.428 22.122 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 29.522 48.858 54.831 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 28.609 48.869 54.543 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 29.903 48.098 54.390 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 35.343 74.385 -11.804 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 35.837 74.026 -12.540 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 35.418 73.721 -11.118 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 68.301 68.161 32.170 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 67.866 67.380 32.512 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 67.840 68.353 31.353 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 84.433 35.555 38.279 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 85.320 35.915 38.247 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 84.422 34.884 37.596 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 78.890 66.344 26.858 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 79.801 66.057 26.800 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 78.897 67.236 26.509 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 38.027 77.763 14.492 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 38.846 78.137 14.818 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 37.426 78.507 14.447 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 52.170 19.837 5.712 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 52.975 20.223 6.058 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 51.876 19.240 6.400 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 24.324 52.398 29.481 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 23.964 51.720 28.909 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 25.270 52.355 29.338 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 38.170 40.555 59.618 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 38.685 40.215 58.886 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 37.659 39.804 59.920 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 49.562 14.551 -16.089 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 49.628 14.722 -15.149 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 49.963 15.316 -16.501 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 27.290 43.274 8.029 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 27.862 43.936 7.641 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 26.833 43.734 8.733 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 69.830 70.454 2.807 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 68.973 70.199 3.151 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 69.746 70.355 1.859 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 48.668 85.080 37.319 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 49.188 85.315 38.088 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 48.047 85.802 37.220 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 69.181 73.025 33.422 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 68.699 72.927 32.601 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 69.112 73.957 33.631 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 60.925 85.860 10.985 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 60.353 85.093 10.979 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 61.282 85.901 10.098 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 39.886 58.016 66.947 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 40.718 57.580 67.132 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 39.964 58.306 66.038 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 90.109 42.689 11.833 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 90.395 42.978 12.699 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 90.471 43.340 11.231 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 28.792 44.103 36.874 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 28.324 44.300 36.062 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 28.256 43.437 37.304 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 65.115 36.854 47.335 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 64.409 36.597 47.928 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 65.703 36.099 47.319 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 21.615 35.090 49.017 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 22.505 35.276 48.717 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 21.261 35.945 49.261 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 84.654 61.313 43.019 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 84.103 60.762 43.575 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 84.727 60.828 42.197 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 88.740 62.809 44.707 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 88.760 62.316 43.886 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 88.588 62.147 45.381 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 37.333 73.392 15.762 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 38.213 73.277 15.404 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 37.318 74.296 16.077 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 55.445 86.900 24.174 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 55.087 87.432 23.463 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 54.830 87.022 24.897 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 34.477 5.820 60.792 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 33.967 6.614 60.955 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 34.635 5.826 59.848 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 40.920 77.057 -8.842 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 40.572 76.935 -7.959 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 40.986 76.170 -9.198 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 38.564 24.035 -6.060 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 38.998 24.300 -5.249 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 38.500 24.841 -6.572 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 65.502 7.714 3.051 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 65.338 7.936 3.968 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 65.000 6.912 2.905 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 55.137 47.465 -7.080 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 54.509 48.123 -7.377 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 55.268 47.659 -6.152 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 78.729 43.281 46.015 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 78.823 43.775 46.830 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 77.836 42.937 46.044 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 67.666 38.690 53.763 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 67.722 37.815 54.149 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 67.005 38.608 53.076 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 21.664 31.995 38.607 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 21.448 31.263 38.029 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 21.395 32.774 38.118 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 54.325 19.804 -0.144 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 54.111 20.111 0.736 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 54.551 20.598 -0.628 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 50.519 16.110 13.911 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 50.242 17.022 14.000 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 50.469 15.935 12.971 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 76.370 44.210 -17.502 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 76.177 44.077 -18.430 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 76.365 45.160 -17.389 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 67.429 42.843 43.669 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 68.228 43.362 43.583 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 66.724 43.447 43.439 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 42.205 42.169 34.281 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 42.375 43.094 34.461 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 42.988 41.866 33.820 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 34.118 39.995 -7.646 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 34.432 40.682 -8.234 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 34.292 39.179 -8.116 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 39.377 7.962 0.982 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 39.998 8.039 1.707 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 39.318 8.848 0.623 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 37.614 2.420 5.758 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 37.201 3.128 6.251 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 37.753 1.727 6.403 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 30.633 2.482 0.913 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 29.994 2.882 0.324 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 31.173 3.212 1.214 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 85.074 83.886 11.165 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 85.983 84.134 10.996 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 84.596 84.715 11.171 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 34.415 57.683 18.157 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 35.318 57.540 17.874 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 34.342 58.632 18.257 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 21.955 16.216 -17.926 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 22.046 16.114 -16.979 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 21.464 17.031 -18.033 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 36.626 88.621 61.426 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 37.132 87.838 61.642 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 36.822 88.788 60.505 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 80.239 32.512 -0.801 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 80.389 33.302 -0.282 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 79.303 32.337 -0.708 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 83.076 54.422 53.363 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 82.192 54.154 53.113 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 83.302 55.114 52.742 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 21.625 66.287 51.202 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 22.290 66.950 51.388 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 21.684 66.148 50.256 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 36.125 93.134 4.700 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 36.926 92.620 4.801 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 36.216 93.846 5.333 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 84.707 9.212 7.089 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 84.374 8.620 6.415 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 85.075 9.949 6.601 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 85.228 46.039 -5.850 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 84.293 45.906 -5.692 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 85.624 46.022 -4.979 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 29.989 19.431 32.811 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 29.812 18.581 32.408 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 30.437 19.931 32.128 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 88.574 27.021 -2.365 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 88.688 27.962 -2.232 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 88.800 26.631 -1.521 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 38.628 61.424 9.564 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 39.029 62.290 9.637 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 39.365 60.830 9.423 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 39.145 16.213 55.042 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 38.610 16.228 55.836 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 39.854 16.831 55.218 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 56.595 93.274 -13.525 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 55.801 93.476 -13.031 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 56.550 92.330 -13.678 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 53.776 16.289 27.127 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 53.481 16.833 27.858 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 53.695 16.855 26.359 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 21.354 18.025 66.209 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 22.262 18.304 66.092 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 20.840 18.671 65.724 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 24.334 73.861 41.322 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 25.240 74.118 41.151 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 24.347 72.905 41.298 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 43.654 48.289 6.991 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 44.410 48.078 7.539 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 43.069 47.538 7.089 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 26.889 2.367 26.325 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 27.842 2.301 26.391 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 26.673 3.177 26.787 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 84.921 89.806 8.711 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 85.608 90.470 8.765 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 84.863 89.448 9.597 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 47.071 9.539 38.051 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 47.242 10.246 37.429 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 47.810 9.568 38.658 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 62.609 86.382 -11.904 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 62.403 86.574 -10.989 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 63.007 85.512 -11.883 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 74.970 16.433 2.287 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 74.318 17.130 2.218 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 75.028 16.251 3.225 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 76.426 84.758 7.589 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 77.366 84.588 7.520 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 76.278 84.910 8.523 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 47.313 86.357 67.597 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 46.929 86.452 66.726 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 48.040 85.747 67.474 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 37.577 14.355 51.707 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 37.951 15.226 51.571 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 37.123 14.418 52.547 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 55.883 81.429 27.809 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 55.862 81.028 26.940 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 54.963 81.568 28.031 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 80.950 7.426 -3.690 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 81.603 8.009 -4.078 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 80.580 7.930 -2.965 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 82.971 91.817 43.580 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 83.819 91.515 43.256 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 83.173 92.603 44.086 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 23.904 14.448 63.342 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 24.741 14.675 63.747 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 23.367 14.123 64.065 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 57.916 2.920 -16.843 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 57.513 2.064 -16.697 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 57.840 3.367 -16.000 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 34.517 1.900 58.885 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 34.877 1.534 59.693 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 33.659 1.485 58.795 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 70.719 71.409 -5.983 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 70.493 70.933 -6.782 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 69.877 71.581 -5.561 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 86.175 81.980 34.992 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 85.829 81.102 34.835 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 87.079 81.942 34.678 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 67.285 37.261 8.400 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 66.644 37.969 8.351 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 67.112 36.726 7.625 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 39.823 1.190 61.172 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 39.826 0.334 61.600 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 38.950 1.543 61.347 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 86.577 4.328 6.395 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 87.502 4.535 6.527 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 86.181 5.158 6.128 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 54.037 13.582 -17.937 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 53.236 13.665 -18.453 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 53.880 14.123 -17.162 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 34.917 46.912 41.388 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 35.537 47.025 42.109 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 34.886 45.966 41.244 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 63.080 74.764 -1.532 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 63.256 75.356 -0.802 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 62.139 74.596 -1.484 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 87.791 89.698 1.223 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 87.585 89.253 2.045 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 87.447 89.119 0.544 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 50.127 81.764 -18.473 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 50.362 81.298 -17.670 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 49.245 82.096 -18.308 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 60.500 75.475 -16.064 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 60.035 75.681 -15.253 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 60.333 74.543 -16.206 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 27.113 5.065 30.059 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 27.195 4.208 29.641 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 27.360 5.689 29.377 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 35.471 35.290 66.770 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 36.018 35.854 66.222 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 34.618 35.723 66.783 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 61.176 55.302 25.495 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 60.437 54.932 25.012 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 61.480 56.027 24.950 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 87.700 95.390 63.246 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 88.612 95.520 62.988 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 87.306 96.260 63.184 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 43.674 37.943 -0.645 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 43.064 37.827 0.083 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 43.849 38.884 -0.664 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 85.310 77.193 55.938 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 85.153 77.782 55.200 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 85.832 77.710 56.551 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 46.236 76.834 -2.569 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 46.448 76.311 -3.342 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 47.071 76.935 -2.112 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 66.782 67.970 -9.319 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 66.819 68.117 -8.374 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 67.113 67.079 -9.435 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 23.536 90.518 37.622 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 24.098 91.292 37.583 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 23.980 89.871 37.073 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 31.430 39.066 1.829 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 31.174 39.947 2.103 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 31.916 39.199 1.016 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 55.433 75.392 35.636 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 54.929 74.579 35.610 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 55.149 75.826 36.440 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 63.965 19.834 46.382 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 64.469 20.633 46.231 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 63.162 19.957 45.876 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 70.167 71.664 44.389 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 70.118 71.087 43.627 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 70.946 71.373 44.862 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 64.234 8.959 -11.576 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 63.946 8.700 -10.701 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 63.497 9.451 -11.936 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 38.448 93.344 -14.153 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 38.679 93.040 -15.031 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 37.910 92.640 -13.790 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 29.279 71.591 36.074 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 29.741 71.171 35.349 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 29.949 72.112 36.516 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 80.648 51.914 48.759 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 81.009 52.787 48.916 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 81.209 51.541 48.079 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 79.275 18.593 36.779 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 79.714 19.260 37.307 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 79.261 17.816 37.337 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 54.433 14.871 -13.236 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 54.025 14.021 -13.404 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 54.278 15.373 -14.036 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 60.461 1.462 51.162 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 60.411 1.370 52.113 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 61.398 1.443 50.968 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 63.577 38.203 31.991 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 63.293 39.045 32.349 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 62.793 37.654 32.018 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 81.648 83.412 66.359 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 80.718 83.595 66.228 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 82.078 84.259 66.244 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 78.620 43.502 41.278 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 79.156 44.295 41.270 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 78.764 43.107 40.418 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 40.197 16.100 0.989 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 40.232 15.144 1.020 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 39.277 16.301 0.820 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 53.176 30.799 59.277 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 53.274 31.497 58.629 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 52.968 31.256 60.092 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 68.524 9.823 -13.508 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 69.383 9.443 -13.321 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 68.557 10.696 -13.117 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 64.505 9.357 11.586 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 64.668 8.806 12.352 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 63.687 9.022 11.219 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 25.169 21.246 21.141 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 24.684 22.018 20.850 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 25.166 20.661 20.383 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 37.432 20.526 10.454 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 38.116 21.195 10.470 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 37.789 19.804 10.972 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 69.223 28.958 47.781 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 69.363 28.835 48.720 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 68.300 29.200 47.705 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 59.500 43.268 49.246 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 59.225 43.168 48.335 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 60.148 42.576 49.379 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 36.267 23.679 8.700 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 36.748 24.507 8.710 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 35.972 23.562 9.603 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 61.610 11.104 65.943 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 62.391 10.656 65.618 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 61.729 11.135 66.893 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 55.063 64.866 58.282 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 55.758 64.411 57.807 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 54.922 64.337 59.067 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 66.756 34.182 -1.124 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 66.097 34.217 -0.431 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 66.719 35.045 -1.536 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 56.512 26.364 -18.819 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 56.299 26.238 -19.744 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 57.103 27.117 -18.809 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 39.101 78.179 6.086 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 39.248 77.604 5.335 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 39.276 77.627 6.848 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 70.348 21.560 34.307 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 69.870 21.979 33.592 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 70.363 20.632 34.074 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 46.441 39.350 -15.265 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 45.524 39.482 -15.025 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 46.582 38.409 -15.168 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 83.022 64.077 20.288 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 82.519 63.265 20.224 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 83.027 64.427 19.398 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 37.324 3.102 3.032 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 38.051 3.716 3.135 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 37.464 2.447 3.716 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 85.571 32.150 39.689 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 85.692 33.084 39.860 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 86.395 31.747 39.964 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 76.299 24.877 22.397 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 76.183 25.724 22.828 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 77.154 24.569 22.700 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 89.944 83.773 7.053 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 89.095 83.335 7.008 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 90.493 83.181 7.567 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 54.966 37.432 5.003 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 55.389 38.271 4.818 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 55.356 37.144 5.829 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 39.692 46.950 15.060 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 40.454 47.456 15.340 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 39.764 46.915 14.106 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 47.506 38.038 -2.772 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 47.294 38.548 -1.991 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 47.016 38.462 -3.476 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 25.957 47.162 15.385 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 26.135 47.383 16.299 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 25.925 48.006 14.936 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 60.388 16.796 -4.844 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 59.789 16.283 -4.301 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 61.243 16.385 -4.713 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 76.672 3.980 2.561 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 77.354 3.598 2.008 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 76.220 3.227 2.940 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 32.671 81.994 38.267 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 31.798 82.319 38.488 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 33.261 82.709 38.508 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 26.983 34.095 30.365 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 27.085 35.026 30.562 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 26.194 33.834 30.838 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 62.691 14.804 -15.287 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 63.606 14.799 -15.567 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 62.656 15.462 -14.593 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 59.514 9.417 -17.623 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 59.653 9.402 -18.570 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 60.280 9.872 -17.275 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 54.280 11.719 -2.301 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 55.003 11.677 -1.676 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 54.008 12.637 -2.293 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 39.708 82.126 35.071 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 38.912 81.595 35.045 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 39.646 82.690 34.300 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 82.938 36.723 -4.007 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 83.886 36.647 -3.903 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 82.639 37.136 -3.197 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 54.194 52.502 64.606 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 54.692 51.800 64.188 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 54.841 53.185 64.780 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 83.834 72.274 48.725 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 84.474 71.766 49.224 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 83.552 72.962 49.327 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 43.759 30.205 32.997 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 43.466 30.760 33.719 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 43.330 29.364 33.151 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 72.895 4.143 39.094 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 73.735 3.721 39.275 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 72.774 4.757 39.819 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 33.250 12.776 58.445 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 32.616 12.835 59.160 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 32.727 12.538 57.680 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 62.152 83.302 24.890 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 62.296 82.389 24.639 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 62.771 83.455 25.604 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 24.424 74.075 60.506 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 24.948 73.468 61.029 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 23.599 74.154 60.986 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 86.668 90.310 36.877 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 86.172 89.762 36.267 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 87.158 90.911 36.315 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 59.932 61.788 -18.144 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 59.085 61.602 -18.550 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 59.774 61.688 -17.205 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 58.538 50.866 36.276 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 58.028 51.588 35.910 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 58.775 50.331 35.519 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 72.939 39.110 66.296 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 72.302 38.757 65.675 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 72.643 40.005 66.460 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 46.806 61.012 -7.636 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 47.223 61.850 -7.434 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 46.139 60.906 -6.957 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 28.637 2.187 34.855 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 28.503 2.739 34.084 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 27.822 1.692 34.939 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 46.068 75.499 -5.441 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 46.278 74.614 -5.144 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 45.200 75.420 -5.838 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 64.326 1.590 44.347 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 64.132 1.977 43.492 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 64.222 0.648 44.213 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 45.628 77.700 45.114 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 44.741 78.003 44.920 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 45.515 76.794 45.402 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 71.579 20.549 -10.604 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 71.416 19.611 -10.504 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 72.010 20.806 -9.789 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 43.668 86.581 59.946 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 42.925 87.130 59.697 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 43.631 85.838 59.345 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 53.174 30.455 66.656 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 52.298 30.094 66.519 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 53.761 29.705 66.559 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 54.990 48.512 64.399 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 54.812 47.603 64.160 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 54.467 48.660 65.187 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 63.943 6.473 59.538 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 64.782 6.671 59.121 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 63.411 7.254 59.389 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 28.841 28.124 -3.675 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 28.685 29.002 -3.327 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 29.340 28.269 -4.479 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 53.388 15.141 50.054 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 53.815 14.996 49.210 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 52.676 14.501 50.076 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 52.695 43.899 20.643 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 53.408 44.536 20.595 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 52.029 44.240 20.045 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 71.992 36.680 54.780 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 72.384 36.738 53.909 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 72.473 35.975 55.214 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 63.799 43.704 3.271 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 62.855 43.733 3.117 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 63.884 43.479 4.198 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 65.001 20.887 15.049 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 65.039 20.944 14.094 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 64.276 21.461 15.295 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 45.822 56.054 -8.053 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 46.088 56.683 -7.382 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 44.952 56.348 -8.325 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 21.035 13.635 61.531 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 21.144 14.488 61.952 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 21.791 13.126 61.821 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 64.057 0.318 -20.301 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 64.618 0.654 -19.602 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 63.511 -0.342 -19.873 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 69.952 42.548 50.962 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 70.279 41.672 50.756 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 70.364 43.117 50.312 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 28.809 12.719 66.089 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 27.975 12.688 66.559 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 29.071 11.802 66.004 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 43.867 19.095 47.358 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 44.319 18.319 47.026 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 43.966 19.746 46.663 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 76.280 6.101 -16.108 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 77.030 5.677 -15.691 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 75.996 5.479 -16.778 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 46.924 82.619 37.877 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 47.811 82.957 38.002 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 46.973 82.111 37.067 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 70.790 93.036 63.230 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 70.050 93.249 63.799 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 71.384 93.782 63.320 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 86.866 21.619 63.559 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 87.170 22.325 64.130 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 87.260 21.813 62.708 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 52.680 19.641 59.661 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 53.265 19.234 59.023 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 52.613 20.553 59.378 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 48.365 8.843 42.094 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 47.532 9.300 42.211 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 48.697 9.160 41.254 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 68.302 70.856 13.476 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 68.203 70.052 13.986 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 68.311 70.562 12.565 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 62.735 57.296 23.757 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 63.079 57.283 22.863 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 62.370 58.175 23.860 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 64.704 89.490 33.848 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 64.220 90.228 34.217 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 64.993 88.987 34.609 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 65.796 77.928 -8.913 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 65.562 78.807 -8.615 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 66.747 77.958 -9.024 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 72.013 67.453 43.394 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 72.816 67.524 43.909 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 71.334 67.830 43.954 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 50.107 46.037 -6.850 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 50.801 46.688 -6.950 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 49.710 46.237 -6.002 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 25.550 89.302 11.825 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 25.297 89.752 11.019 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 26.419 88.945 11.638 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 25.178 4.033 -16.724 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 25.513 3.898 -15.837 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 25.080 3.151 -17.080 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 60.278 62.482 -13.237 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 59.495 62.684 -12.726 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 60.709 63.328 -13.361 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 73.410 34.755 -14.067 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 73.089 35.315 -14.773 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 72.629 34.536 -13.559 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 36.764 9.682 23.654 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 36.627 9.627 24.600 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 37.700 9.521 23.537 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 37.744 59.839 43.385 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 38.678 59.800 43.590 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 37.559 59.007 42.950 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 84.569 47.947 19.475 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 85.245 48.274 20.068 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 85.054 47.493 18.786 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 36.868 37.911 46.912 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 37.530 37.254 47.126 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 36.036 37.500 47.148 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 86.851 31.988 66.007 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 86.119 31.654 65.488 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 86.684 32.927 66.081 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 48.408 46.186 34.631 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 49.360 46.214 34.539 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 48.147 45.383 34.180 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 44.916 16.407 20.405 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 44.873 17.276 20.804 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 44.531 16.522 19.536 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 55.167 5.330 39.761 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 54.689 6.041 39.334 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 54.564 5.001 40.427 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 84.481 63.895 -19.761 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 83.908 64.038 -19.008 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 83.897 63.580 -20.451 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 61.137 93.991 30.854 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 60.282 93.835 30.452 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 61.625 93.182 30.701 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 56.308 4.886 -18.027 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 56.929 5.281 -18.638 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 56.800 4.179 -17.608 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 43.207 13.304 -14.282 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 43.816 12.946 -13.636 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 42.362 13.316 -13.833 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 44.845 15.989 5.254 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 44.628 16.825 4.842 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 44.332 15.979 6.062 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 76.004 96.937 36.978 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 75.933 96.924 37.933 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 76.177 96.027 36.738 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 52.886 80.328 43.550 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 52.001 80.629 43.345 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 53.166 79.856 42.766 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 78.744 82.935 42.153 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 78.810 82.745 41.217 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 79.083 82.149 42.581 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 30.606 95.081 -9.582 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 30.554 94.576 -10.394 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 30.114 95.881 -9.765 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 57.050 77.272 59.606 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 57.880 77.220 60.081 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 56.850 76.366 59.372 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 80.922 24.155 41.853 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 81.457 23.574 42.394 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 80.470 24.719 42.480 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 25.175 90.272 40.556 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 25.326 90.701 41.398 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 25.410 89.357 40.708 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 20.787 52.330 49.258 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 20.273 52.014 48.515 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 20.599 53.268 49.298 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 58.081 43.358 39.592 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 58.638 44.068 39.271 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 57.525 43.770 40.254 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 72.177 30.687 30.416 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 71.569 30.156 29.902 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 71.776 31.557 30.438 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 75.512 0.014 39.837 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 76.042 0.338 40.565 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 74.614 0.255 40.067 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 89.210 76.093 55.136 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 89.786 76.217 54.382 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 89.740 75.606 55.766 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 29.777 47.131 32.318 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 29.958 46.394 31.735 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 28.890 47.408 32.088 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 22.123 61.556 -5.120 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 22.556 61.986 -4.383 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 21.796 62.275 -5.660 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 67.747 31.527 65.431 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 68.062 32.348 65.055 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 66.890 31.744 65.799 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 53.390 12.131 -6.143 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 54.212 12.386 -5.724 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 53.635 11.923 -7.045 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 73.795 52.823 18.084 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 73.638 52.498 17.197 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 73.216 52.299 18.637 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 30.234 57.362 -11.282 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 30.094 56.415 -11.284 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 30.634 57.544 -10.432 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 45.888 3.885 -11.609 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 46.077 4.782 -11.883 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 45.843 3.930 -10.654 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 79.329 41.380 -6.914 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 78.953 41.045 -6.099 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 79.838 42.145 -6.646 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 44.471 36.453 32.784 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 45.243 36.749 32.302 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 43.916 36.043 32.120 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 46.430 39.467 3.930 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 45.758 40.033 4.308 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 47.084 39.376 4.623 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 39.231 5.998 51.932 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 40.147 6.078 51.666 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 38.893 6.893 51.904 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 54.420 35.882 -15.013 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 53.855 35.593 -15.729 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 54.237 36.817 -14.925 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 28.186 20.057 2.879 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 28.896 20.632 3.161 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 27.512 20.651 2.549 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 54.318 18.226 32.277 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 53.682 17.587 31.956 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 54.564 18.731 31.501 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 74.985 13.480 60.556 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 74.447 14.272 60.576 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 74.495 12.870 60.004 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 86.021 43.218 -4.881 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 86.161 42.444 -4.335 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 85.070 43.333 -4.893 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 71.408 25.015 29.755 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 71.433 24.510 28.942 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 71.417 25.929 29.470 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 36.755 13.427 3.900 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 36.217 14.038 3.397 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 36.139 13.001 4.497 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 31.204 23.256 51.419 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 31.534 22.975 52.272 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 30.352 22.826 51.338 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 43.699 74.222 -15.869 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 44.081 74.011 -16.721 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 42.754 74.202 -16.018 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 86.753 52.971 9.881 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 86.384 52.130 9.610 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 87.232 52.775 10.686 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 87.358 41.677 -8.399 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 86.435 41.789 -8.171 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 87.413 40.789 -8.751 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 62.385 6.726 64.579 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 62.813 7.420 65.081 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 61.663 7.166 64.130 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 78.524 23.030 -12.558 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 77.629 23.110 -12.888 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 78.955 22.437 -13.174 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 25.258 46.004 41.576 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 25.876 45.361 41.228 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 25.725 46.837 41.528 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 72.680 44.714 -2.936 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 73.528 45.011 -3.266 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 72.217 45.519 -2.705 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 68.549 45.320 42.642 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 68.781 45.962 41.972 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 67.599 45.400 42.733 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 38.406 93.169 32.860 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 38.915 93.978 32.808 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 39.060 92.482 32.990 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 42.755 60.373 7.707 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 43.221 59.981 6.969 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 43.445 60.614 8.326 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 39.482 18.721 -13.173 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 38.781 19.314 -12.903 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 39.060 18.110 -13.778 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 87.736 75.708 7.851 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 87.605 74.798 7.587 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 88.660 75.881 7.667 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 25.348 19.743 18.882 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 24.614 19.860 18.279 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 26.077 19.473 18.324 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 81.579 89.479 37.804 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 80.679 89.153 37.827 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 82.058 88.904 38.401 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 54.999 57.190 55.476 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 55.895 57.466 55.669 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 54.840 57.495 54.583 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 32.898 89.484 36.580 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 32.815 90.426 36.433 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 33.748 89.256 36.204 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 77.541 4.524 15.705 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 77.468 3.649 15.324 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 78.453 4.585 15.990 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 80.017 62.308 42.069 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 79.749 62.825 41.310 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 79.269 62.350 42.665 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 36.629 23.975 57.325 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 36.712 23.052 57.088 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 37.512 24.237 57.586 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 72.244 15.112 58.636 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 72.947 14.572 58.273 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 72.285 15.927 58.136 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 47.692 22.017 65.492 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 47.981 21.279 64.955 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 47.570 22.734 64.869 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 34.587 17.740 32.351 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 35.022 17.682 31.500 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 33.927 18.424 32.236 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 42.392 27.922 2.684 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 43.201 27.895 2.172 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 42.027 28.789 2.509 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 35.622 35.119 -12.835 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 35.310 34.440 -12.236 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 34.943 35.175 -13.508 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 24.184 34.298 22.276 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 24.590 34.513 23.115 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 24.020 35.146 21.863 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 29.926 29.207 31.164 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 30.581 29.211 31.862 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 30.196 29.913 30.576 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 45.201 8.703 -2.112 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 45.460 9.605 -1.921 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 45.710 8.172 -1.500 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 27.581 66.568 43.490 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 26.840 66.108 43.096 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 28.287 65.922 43.497 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 55.481 82.275 52.554 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 55.512 81.664 51.818 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 55.020 83.041 52.211 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 26.475 94.576 4.798 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 27.066 93.898 4.469 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 26.676 94.637 5.731 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 86.162 47.611 52.280 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 86.393 46.718 52.535 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 86.590 48.166 52.933 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 33.393 39.436 34.510 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 34.254 39.845 34.590 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 32.870 39.839 35.203 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 52.348 15.717 18.297 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 53.044 16.346 18.105 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 51.682 16.229 18.755 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 54.235 16.301 15.453 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 53.620 15.710 15.889 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 53.706 17.058 15.204 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 35.777 31.775 38.995 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 36.106 32.636 39.252 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 34.889 31.941 38.677 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 24.814 3.535 57.232 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 25.693 3.844 57.012 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 24.674 2.781 56.659 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 66.405 62.207 56.194 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 67.284 62.583 56.153 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 65.844 62.935 56.460 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 48.216 53.172 4.339 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 49.093 52.823 4.180 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 48.315 54.120 4.250 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 27.715 38.223 -0.454 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 26.990 38.438 -1.041 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 28.381 38.884 -0.643 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 77.914 0.715 66.354 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 78.333 1.368 66.914 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 76.988 0.752 66.594 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 42.301 16.536 -12.305 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 42.789 15.869 -12.788 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 41.491 16.097 -12.043 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 44.779 8.689 15.221 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 45.658 8.612 14.848 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 44.760 9.563 15.611 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 62.355 18.783 -15.231 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 62.208 19.332 -14.461 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 61.746 19.122 -15.887 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 39.983 96.427 28.909 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 40.431 97.031 29.501 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 40.575 96.340 28.162 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 26.948 36.822 57.654 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 27.699 36.379 57.259 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 26.887 36.451 58.534 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 89.992 0.773 62.151 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 90.141 1.639 61.771 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 89.147 0.848 62.594 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 45.241 57.502 -13.630 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 45.083 57.592 -12.690 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 46.098 57.905 -13.769 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 75.985 20.690 38.586 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 76.236 20.283 37.756 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 76.406 20.149 39.255 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 49.588 77.474 63.930 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 49.153 76.676 64.229 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 50.071 77.786 64.695 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 39.683 42.176 28.666 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 40.037 42.776 28.009 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 40.441 41.675 28.967 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 67.850 6.780 40.494 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 66.918 6.721 40.283 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 68.130 7.612 40.112 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 91.096 77.711 12.052 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 90.726 77.709 12.935 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 90.372 77.986 11.489 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 23.063 13.055 65.547 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 23.435 12.195 65.741 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 22.497 13.246 66.295 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 33.332 35.721 47.956 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 33.595 34.871 47.603 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 33.995 35.921 48.617 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 20.227 63.572 40.739 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 20.612 63.984 41.512 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 20.006 64.304 40.162 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 37.046 43.076 58.850 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 36.104 43.221 58.934 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 37.145 42.124 58.875 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 59.159 26.906 55.123 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 58.539 26.835 54.397 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 58.610 27.039 55.896 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 40.555 38.469 12.939 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 39.945 38.636 13.657 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 41.218 37.892 13.316 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 82.556 65.669 54.138 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 82.105 66.388 54.580 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 82.062 65.537 53.329 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 64.603 91.885 14.967 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 64.942 91.597 14.119 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 63.927 91.243 15.185 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 83.354 20.424 51.383 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 83.849 19.745 51.841 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 82.996 19.982 50.613 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 35.721 16.336 23.690 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 36.004 16.446 22.783 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 36.116 15.510 23.967 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 76.123 53.978 -6.188 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 76.250 53.703 -5.280 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 77.000 53.953 -6.571 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 47.253 11.601 0.842 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 46.307 11.553 0.977 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 47.475 10.782 0.398 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 80.376 29.921 12.713 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 80.401 29.826 13.665 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 79.644 30.517 12.550 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 66.006 65.841 55.391 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 66.547 65.422 54.722 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 65.143 65.924 54.986 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 28.630 93.918 0.360 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 27.734 93.989 0.030 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 29.093 93.418 -0.312 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 35.759 47.822 57.662 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 35.690 48.357 58.453 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 36.627 47.422 57.718 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 56.622 48.384 35.306 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 56.259 47.846 34.603 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 56.315 49.270 35.113 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 84.602 41.085 61.880 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 85.144 41.642 62.438 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 84.192 40.465 62.484 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 76.925 44.158 36.855 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 77.230 44.976 37.246 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 75.972 44.240 36.836 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 77.808 83.083 29.169 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 78.134 83.934 28.878 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 76.856 83.158 29.112 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 82.138 1.566 64.819 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 81.273 1.225 65.047 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 82.484 1.911 65.641 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 56.754 53.604 -8.195 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 56.050 54.106 -7.785 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 57.242 53.231 -7.461 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 68.437 41.208 -11.950 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 67.711 41.440 -11.371 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 68.784 42.048 -12.249 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 23.981 90.206 -10.494 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 24.275 90.882 -11.104 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 23.028 90.291 -10.483 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 75.481 46.030 52.987 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 76.180 46.575 53.349 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 74.958 46.632 52.456 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 27.066 76.231 17.303 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 26.809 75.420 16.865 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 27.889 76.480 16.882 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 36.080 47.313 32.002 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 36.670 46.748 31.504 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 36.567 47.529 32.797 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 24.978 41.945 24.826 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 24.024 41.881 24.776 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 25.204 42.640 24.207 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 71.460 67.316 1.161 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 70.511 67.192 1.185 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 71.622 67.764 0.331 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 35.647 91.333 45.695 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 35.798 90.562 46.242 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 36.215 92.007 46.069 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 34.174 51.276 -8.691 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 34.141 51.539 -7.771 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 34.838 50.587 -8.719 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 20.943 62.512 13.437 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 21.770 62.981 13.335 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 21.194 61.589 13.484 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 33.074 3.024 12.391 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 33.385 3.649 13.047 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 33.209 2.167 12.794 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 27.838 33.439 7.299 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 27.025 33.843 6.994 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 28.520 34.071 7.072 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 40.486 35.797 32.435 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 41.305 35.852 31.942 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 39.869 36.331 31.934 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 39.673 70.378 0.302 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 38.873 69.930 0.024 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 39.427 70.829 1.109 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 63.889 8.953 52.713 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 64.413 9.204 51.952 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 64.400 9.252 53.465 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 74.907 87.461 45.179 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 74.064 87.730 45.544 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 75.191 88.209 44.654 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 44.320 36.903 36.954 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 44.402 36.009 36.623 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 44.454 37.457 36.184 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 69.884 67.861 48.119 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 69.326 67.083 48.112 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 70.729 67.553 47.790 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 26.526 29.045 5.846 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 27.111 29.677 6.265 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 26.009 28.684 6.565 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 66.317 14.215 61.161 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 67.154 14.384 61.594 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 65.666 14.289 61.858 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 38.723 60.826 -8.997 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 39.111 61.293 -8.257 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 39.437 60.292 -9.345 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 65.407 74.301 37.994 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 64.628 74.179 37.453 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 65.711 75.184 37.784 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 47.276 12.507 27.114 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 47.427 13.432 27.304 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 46.350 12.369 27.313 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 34.924 29.709 65.989 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 35.112 29.727 65.050 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 34.408 30.500 66.145 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 49.367 51.781 -11.872 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 49.543 51.799 -12.813 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 48.987 52.639 -11.682 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 51.789 38.297 21.577 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 52.726 38.458 21.686 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 51.530 38.871 20.856 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 89.945 30.776 58.808 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 90.405 30.328 58.098 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 90.422 30.526 59.599 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 62.438 31.723 67.008 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 61.529 31.939 67.217 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 62.463 31.694 66.052 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 48.361 2.307 31.645 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 48.562 2.188 32.574 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 48.514 3.239 31.485 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 36.067 90.299 0.088 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 36.791 90.878 -0.149 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 35.977 90.404 1.036 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 75.340 21.322 3.434 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 74.771 21.376 2.666 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 74.737 21.268 4.175 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 85.423 36.773 9.292 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 85.591 36.003 8.748 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 85.285 36.420 10.171 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 56.717 55.489 25.824 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 56.315 54.878 26.441 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 56.251 56.313 25.964 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 24.822 59.027 -13.686 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 24.980 59.801 -13.146 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 25.649 58.545 -13.663 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 33.538 37.077 -16.484 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 34.340 37.351 -16.039 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 32.927 37.800 -16.344 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 36.270 42.527 -4.786 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 35.363 42.530 -4.479 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 36.422 43.421 -5.093 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 22.908 70.300 15.336 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 23.803 70.430 15.652 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 22.360 70.753 15.977 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 52.856 52.812 26.030 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 53.441 52.695 25.282 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 52.117 52.230 25.849 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 78.088 42.085 51.020 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 77.196 42.210 51.344 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 78.513 41.546 51.687 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 69.894 76.077 61.644 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 69.067 76.205 62.110 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 70.320 75.356 62.106 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 33.453 48.972 -6.239 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 33.477 49.910 -6.050 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 32.780 48.626 -5.654 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 50.215 57.498 -13.508 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 50.677 58.248 -13.134 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 50.814 57.154 -14.171 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 76.765 58.441 43.454 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 77.180 59.295 43.572 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 76.022 58.449 44.057 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 88.699 60.258 11.848 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 89.310 59.638 12.246 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 88.558 59.922 10.963 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 61.817 17.742 7.649 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 61.335 17.061 8.119 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 62.649 17.813 8.117 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 82.282 16.116 -10.695 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 81.597 15.622 -11.145 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 82.404 15.655 -9.864 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 34.667 33.490 -5.241 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 33.882 33.990 -5.461 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 34.398 32.928 -4.514 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 55.739 27.066 61.065 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 55.109 27.525 60.510 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 55.320 27.031 61.925 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 81.131 58.185 40.466 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 80.595 58.569 39.772 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 81.435 57.353 40.101 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 80.441 41.615 27.384 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 80.596 40.998 28.100 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 81.276 42.071 27.275 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 60.182 46.102 -16.157 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 60.242 46.894 -16.691 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 60.068 46.423 -15.263 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 75.078 47.235 -17.665 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 74.148 47.012 -17.711 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 75.370 46.876 -16.828 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 29.750 35.066 -8.221 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 29.214 34.630 -8.883 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 29.373 35.943 -8.147 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 40.527 40.134 31.310 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 41.061 39.620 30.704 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 41.143 40.749 31.709 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 35.771 61.532 8.787 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 35.143 61.286 9.466 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 36.598 61.648 9.255 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 71.956 51.247 -8.905 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 72.077 51.270 -7.955 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 71.011 51.156 -9.025 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 39.922 76.156 -6.392 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 39.573 76.903 -5.905 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 40.575 75.772 -5.807 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 32.325 22.973 -3.582 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 32.878 22.253 -3.887 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 32.170 23.504 -4.363 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 38.097 65.579 -16.555 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 38.633 66.363 -16.675 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 37.905 65.281 -17.445 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 40.109 92.249 9.231 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 40.081 91.427 9.720 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 40.823 92.131 8.605 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 75.256 79.842 -17.623 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 75.735 80.598 -17.283 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 74.736 80.193 -18.346 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 36.480 83.468 44.838 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 36.617 84.244 44.295 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 36.360 82.754 44.211 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 56.418 49.939 57.481 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 56.063 50.195 56.630 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 56.977 49.186 57.292 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 44.577 50.611 1.271 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 44.172 50.823 2.112 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 45.514 50.559 1.462 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 60.774 27.115 14.045 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 60.047 27.074 13.425 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 60.380 26.908 14.892 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 36.077 41.385 20.235 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 36.549 40.985 20.966 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 36.764 41.736 19.669 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 39.046 9.857 66.256 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 38.262 9.309 66.282 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 39.492 9.599 65.449 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 34.272 40.533 8.790 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 35.015 40.363 8.211 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 34.066 41.457 8.651 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 46.798 78.914 25.799 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 46.835 78.284 25.080 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 47.154 78.440 26.551 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 28.740 67.073 58.082 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 29.623 67.078 58.452 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 28.778 67.700 57.360 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 22.233 17.187 53.658 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 22.886 16.809 53.069 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 21.507 17.432 53.084 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 33.446 7.191 15.005 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 32.883 7.949 15.163 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 34.007 7.144 15.780 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 73.689 27.528 31.823 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 73.832 27.225 30.927 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 74.312 28.247 31.935 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 32.233 36.573 45.188 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 32.516 36.080 45.959 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 32.997 37.096 44.945 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 39.859 51.722 17.620 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 39.667 52.657 17.691 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 40.602 51.584 18.207 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 52.935 67.648 16.596 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 52.322 68.256 17.008 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 52.395 67.131 15.998 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 44.728 38.675 -3.079 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 44.727 39.535 -2.660 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 44.221 38.119 -2.488 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 68.022 41.006 22.985 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 68.126 40.055 23.035 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 67.306 41.136 22.363 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 78.668 64.803 17.759 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 77.923 64.435 18.235 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 78.273 65.301 17.044 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 64.885 17.754 -15.416 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 64.003 18.100 -15.552 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 65.465 18.491 -15.610 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 64.068 88.268 13.731 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 63.836 88.051 14.635 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 63.910 87.460 13.243 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 36.615 66.514 63.700 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 36.755 66.065 62.866 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 36.838 65.863 64.365 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 66.743 69.168 43.987 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 67.139 68.299 43.917 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 66.390 69.200 44.876 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 59.171 45.835 38.623 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 58.764 46.403 37.969 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 59.294 46.397 39.387 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 60.757 11.740 9.790 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 59.809 11.637 9.713 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 60.910 11.854 10.728 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 51.062 75.112 5.319 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 51.323 74.302 5.758 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 50.959 75.746 6.028 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 75.036 73.496 64.490 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 74.359 73.820 65.084 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 75.277 72.640 64.845 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 43.196 23.339 -8.244 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 42.736 23.790 -7.537 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 42.637 23.463 -9.012 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 51.943 0.429 10.162 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 52.423 0.776 10.914 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 52.607 0.329 9.480 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 28.321 26.749 30.826 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 28.758 27.583 30.653 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 27.838 26.560 30.021 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 43.385 56.051 12.593 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 44.043 56.706 12.361 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 43.138 56.266 13.492 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 90.186 53.996 -14.684 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 90.920 54.200 -14.104 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 90.570 53.456 -15.375 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 54.097 54.129 16.686 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 54.867 53.581 16.537 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 53.356 53.530 16.598 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 90.381 45.819 20.066 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 90.212 46.628 20.548 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 90.662 46.111 19.198 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 79.111 38.574 60.136 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 80.055 38.463 60.250 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 78.848 37.839 59.582 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 42.617 79.001 48.229 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 41.822 78.780 47.744 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 42.797 78.226 48.761 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 43.562 35.243 -12.757 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 42.740 34.759 -12.682 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 43.320 36.063 -13.187 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 49.740 18.797 6.976 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 49.062 18.329 6.488 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 49.270 19.225 7.691 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 90.797 90.070 55.933 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 90.624 90.972 55.663 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 90.052 89.838 56.487 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 36.032 68.112 31.735 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 36.803 68.605 31.455 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 35.864 67.501 31.017 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 36.612 92.084 -7.795 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 36.267 92.975 -7.852 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 36.216 91.724 -7.001 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 72.014 77.248 46.423 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 72.578 77.229 47.197 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 72.551 76.872 45.726 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 35.895 53.093 35.461 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 36.242 53.945 35.729 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 35.079 53.002 35.953 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 33.556 20.547 53.639 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 34.308 21.138 53.587 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 33.941 19.671 53.658 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 27.325 42.575 3.234 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 27.011 42.349 4.109 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 26.561 42.464 2.669 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 79.868 44.432 7.605 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 79.341 45.026 8.139 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 80.744 44.477 7.989 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 30.951 91.903 5.000 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 30.061 91.870 5.350 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 31.511 91.704 5.750 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 89.426 95.937 -15.242 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 90.308 96.039 -15.598 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 88.866 96.429 -15.843 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 57.174 53.536 22.146 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 56.882 52.715 22.543 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 57.042 53.409 21.207 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 33.173 55.187 -0.250 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 33.269 56.091 0.049 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 33.310 54.659 0.537 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 48.055 24.299 46.236 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 47.844 25.131 46.659 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 48.856 24.476 45.743 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 26.817 86.664 53.564 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 27.384 86.214 52.938 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 27.372 87.345 53.944 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 77.508 46.250 31.417 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 77.875 45.444 31.782 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 76.662 45.986 31.056 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 81.860 67.874 27.779 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 81.674 66.970 27.522 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 81.804 68.371 26.963 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 83.621 22.801 43.435 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 84.203 22.877 42.679 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 83.954 23.445 44.060 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 74.424 94.640 -19.989 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 74.540 93.830 -19.492 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 74.800 95.320 -19.429 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 79.443 85.200 -5.733 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 78.690 84.641 -5.543 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 80.201 84.625 -5.627 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 34.656 9.183 62.352 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 35.226 8.505 62.716 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 34.403 8.847 61.492 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 33.285 71.254 11.240 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 33.797 70.678 10.671 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 33.268 70.803 12.084 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 27.288 48.171 -5.555 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 26.427 48.584 -5.494 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 27.166 47.304 -5.169 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 88.503 84.637 1.093 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 88.007 83.836 1.263 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 89.378 84.455 1.437 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 27.240 48.224 8.510 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 26.645 48.972 8.471 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 27.655 48.203 7.648 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 40.719 91.112 17.745 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 40.715 90.156 17.699 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 39.905 91.376 17.314 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 30.648 14.511 8.433 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 30.814 13.609 8.159 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 30.838 14.515 9.372 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 89.928 20.868 37.163 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 89.787 21.676 37.657 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 90.478 21.130 36.425 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 40.816 67.434 18.975 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 41.570 67.456 18.387 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 41.194 67.313 19.847 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 33.450 90.930 -1.809 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 33.355 89.997 -1.999 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 34.356 91.025 -1.515 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 54.146 94.270 17.588 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 53.915 95.138 17.918 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 53.318 93.790 17.575 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 87.751 73.459 14.651 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 87.067 73.876 15.175 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 88.451 73.270 15.276 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 42.042 4.385 8.786 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 41.224 4.705 8.406 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 42.219 4.982 9.513 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 81.966 54.499 26.898 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 81.526 53.999 27.585 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 82.844 54.120 26.850 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 81.633 67.565 7.758 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 82.442 67.053 7.759 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 80.947 66.932 7.967 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 51.437 79.690 -7.794 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 52.343 79.504 -8.041 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 51.464 80.574 -7.428 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 40.368 65.997 52.435 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 41.192 65.833 51.976 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 39.883 65.176 52.358 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 61.368 81.012 51.815 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 60.462 81.040 51.507 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 61.621 81.931 51.898 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 46.013 83.622 48.192 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 45.251 83.051 48.094 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 46.450 83.304 48.982 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 72.487 88.102 46.510 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 72.013 87.768 47.272 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 71.808 88.482 45.953 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 25.822 70.174 37.626 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 26.364 70.677 38.233 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 26.448 69.672 37.104 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 90.381 31.896 21.182 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 90.567 32.526 20.486 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 91.215 31.791 21.640 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 78.689 3.019 -7.046 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 79.176 3.749 -7.428 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 79.108 2.870 -6.198 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 28.612 78.004 24.230 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 28.544 77.413 23.480 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 27.708 78.138 24.514 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 62.948 52.377 -16.436 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 62.914 52.335 -15.480 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 62.189 52.908 -16.679 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 57.521 21.655 14.598 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 57.549 20.881 14.036 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 56.713 22.104 14.348 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 53.602 79.658 35.967 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 54.455 80.081 35.866 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 53.737 78.767 35.645 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 74.239 58.934 13.527 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 73.782 58.712 12.717 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 74.135 58.161 14.082 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 31.424 27.053 11.487 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 32.260 26.637 11.696 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 30.840 26.325 11.273 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 79.337 26.878 14.612 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 79.803 27.587 15.055 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 78.460 26.890 14.996 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 46.951 17.537 41.079 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 46.065 17.194 40.966 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 46.927 18.403 40.672 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 87.504 93.090 21.026 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 86.572 93.173 20.824 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 87.948 93.351 20.219 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 75.058 78.252 -5.460 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 75.296 78.072 -4.551 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 75.677 77.738 -5.977 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 67.617 23.282 7.619 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 66.955 23.895 7.301 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 67.127 22.651 8.146 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 74.771 84.187 54.642 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 74.554 83.446 54.078 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 75.289 84.769 54.086 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 67.214 6.581 -9.567 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 67.663 7.238 -9.035 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 67.784 6.456 -10.326 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 53.515 20.132 12.543 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 52.628 19.778 12.608 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 53.648 20.600 13.367 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 53.079 17.767 10.444 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 53.830 18.160 9.998 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 52.669 18.495 10.910 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 68.375 94.064 54.565 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 69.309 94.124 54.365 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 68.292 93.265 55.086 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 23.159 95.684 60.086 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 22.767 95.948 60.919 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 23.667 96.446 59.808 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 46.445 93.083 2.519 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 46.852 92.726 3.309 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 46.148 93.956 2.776 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 72.277 89.850 23.497 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 72.379 89.627 22.572 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 72.399 89.020 23.958 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 38.912 20.962 4.836 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 38.219 21.509 5.206 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 39.713 21.269 5.262 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 43.573 13.595 17.176 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 42.755 13.467 16.696 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 43.640 14.544 17.286 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 56.774 39.941 -10.450 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 56.101 40.361 -9.915 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 57.600 40.290 -10.115 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 46.675 20.297 40.399 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 46.139 21.062 40.608 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 46.835 20.366 39.458 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 38.343 54.386 47.180 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 37.974 55.077 47.730 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 38.906 54.849 46.560 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 83.689 3.199 52.814 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 83.450 3.800 52.108 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 83.185 3.504 53.569 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 25.154 72.817 14.529 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 25.835 73.373 14.905 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 25.255 71.977 14.977 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 43.733 95.920 -18.959 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 43.056 96.495 -19.317 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 43.365 95.599 -18.136 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 41.944 14.347 33.491 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 42.891 14.217 33.428 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 41.845 15.256 33.775 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 86.635 87.891 49.173 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 85.944 88.134 49.789 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 86.210 87.289 48.562 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 53.891 3.453 10.122 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 53.133 3.134 10.610 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 53.548 3.659 9.252 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 76.729 19.715 47.822 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 77.662 19.926 47.770 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 76.367 20.377 48.412 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 86.037 16.147 56.337 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 86.247 17.000 55.958 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 85.163 16.258 56.711 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 53.465 94.224 3.335 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 53.258 93.410 2.876 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 52.956 94.179 4.144 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 67.877 21.762 54.051 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 68.598 21.378 54.550 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 68.082 22.696 54.012 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 36.963 64.159 -8.310 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 36.625 63.942 -9.180 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 37.849 64.483 -8.471 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 90.075 82.793 -10.915 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 90.183 82.427 -10.037 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 89.512 83.557 -10.788 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 20.423 66.385 53.497 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 19.807 67.111 53.396 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 20.857 66.318 52.646 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 31.596 43.360 32.406 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 32.490 43.031 32.317 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 31.462 43.904 31.629 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 61.492 21.027 -0.334 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 60.720 21.590 -0.274 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 61.141 20.137 -0.328 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 57.142 50.453 -2.575 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 56.654 50.221 -1.785 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 57.083 51.407 -2.623 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 73.320 14.231 5.268 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 74.085 14.747 5.011 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 72.775 14.201 4.482 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 28.199 13.717 63.119 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 28.552 13.213 63.852 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 27.757 14.460 63.529 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 43.437 83.295 16.327 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 43.494 82.347 16.205 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 44.284 83.627 16.026 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 82.598 3.984 55.096 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 82.991 4.720 55.565 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 81.658 4.074 55.253 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 51.634 61.290 52.675 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 51.420 61.300 51.742 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 52.507 60.900 52.717 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 66.228 1.012 -15.173 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 66.559 1.907 -15.102 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 66.661 0.539 -14.462 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 31.021 4.710 42.764 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 31.660 5.420 42.832 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 31.166 4.339 41.894 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 90.302 31.695 11.753 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 90.763 32.091 11.013 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 90.968 31.173 12.200 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 42.052 54.310 56.364 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 41.691 54.906 57.021 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 41.988 54.794 55.541 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 85.911 52.495 36.423 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 86.231 53.298 36.834 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 84.957 52.576 36.449 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 80.056 84.533 45.020 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 80.177 84.216 44.125 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 79.657 85.397 44.916 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 59.175 13.675 -10.353 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 58.571 13.605 -11.092 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 58.903 12.979 -9.755 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 28.365 10.974 44.800 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 29.090 11.378 44.322 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 27.730 11.682 44.915 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 30.277 80.701 2.894 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 29.965 80.579 1.997 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 31.172 81.026 2.795 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 64.518 84.576 51.506 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 65.335 84.829 51.935 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 64.614 84.882 50.605 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 44.575 90.597 56.433 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 43.925 90.336 55.781 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 44.190 90.341 57.271 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 34.568 22.769 32.014 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 34.639 22.855 32.965 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 34.980 23.561 31.670 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 74.290 45.986 2.272 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 74.829 45.692 3.007 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 73.572 46.469 2.680 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 28.151 15.351 10.204 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 28.731 14.895 10.814 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 28.703 15.538 9.444 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 25.853 93.072 43.475 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 25.564 93.589 44.227 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 25.713 93.645 42.722 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 49.557 20.362 0.690 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 49.679 21.259 0.380 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 50.323 19.889 0.366 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 24.804 80.290 56.324 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 24.744 79.457 55.857 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 24.919 80.944 55.634 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 23.229 72.466 -1.919 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 22.753 73.295 -1.973 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 23.235 72.252 -0.986 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 66.604 28.660 31.141 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 66.676 27.733 31.369 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 65.918 28.690 30.474 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 48.561 2.212 -15.542 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 47.829 2.410 -16.126 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 48.253 2.471 -14.674 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 52.469 18.285 43.681 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 51.635 18.355 43.215 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 52.234 17.943 44.543 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 39.961 21.695 49.039 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 40.634 21.099 48.710 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 39.293 21.703 48.354 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 29.119 93.906 32.401 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 29.128 94.280 31.520 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 28.590 94.516 32.915 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 65.983 3.168 -1.478 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 66.729 3.615 -1.079 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 66.307 2.873 -2.330 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 27.966 18.459 9.496 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 28.454 19.277 9.399 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 28.603 17.841 9.855 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 43.636 91.485 -7.314 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 43.834 90.591 -7.037 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 42.757 91.431 -7.689 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 47.745 85.721 -1.254 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 47.997 85.273 -0.447 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 48.056 86.619 -1.137 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 24.381 40.166 18.177 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 25.172 40.706 18.158 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 23.906 40.410 17.382 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 31.344 16.754 15.483 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 31.312 16.943 16.420 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 31.773 17.518 15.098 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 52.302 26.487 61.258 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 52.931 27.070 60.833 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 52.633 26.388 62.151 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 41.606 92.582 -1.924 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 41.285 93.482 -1.968 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 42.492 92.625 -2.284 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 35.749 18.150 -1.254 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 35.420 17.302 -0.958 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 35.150 18.409 -1.955 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 84.078 63.513 -13.656 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 84.281 62.596 -13.843 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 83.857 63.525 -12.725 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 26.144 74.952 8.684 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 26.936 74.433 8.826 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 26.268 75.348 7.822 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 63.643 29.782 20.226 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 63.293 28.935 20.503 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 62.975 30.416 20.488 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 50.674 84.699 -5.798 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 50.536 83.758 -5.903 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 49.892 85.006 -5.339 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 39.861 64.728 37.652 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 39.665 64.638 36.719 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 40.793 64.524 37.721 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 46.729 50.602 -11.085 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 46.455 51.102 -10.316 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 47.641 50.857 -11.225 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 37.340 20.105 14.453 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 37.867 19.718 13.753 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 37.942 20.181 15.193 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 58.092 18.381 58.610 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 57.808 19.249 58.321 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 58.005 18.406 59.563 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 90.455 60.619 -11.428 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 90.937 59.876 -11.064 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 90.854 60.767 -12.286 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 32.798 52.883 62.510 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 32.633 52.790 63.448 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 32.706 53.820 62.341 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 53.336 88.971 -0.164 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 54.086 88.464 -0.474 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 52.995 89.400 -0.950 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 49.979 72.728 -14.784 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 50.071 73.681 -14.775 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 49.065 72.573 -14.546 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 46.172 18.197 28.545 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 45.285 18.303 28.202 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 46.690 18.854 28.079 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 70.656 50.970 -16.758 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 71.120 50.294 -16.265 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 70.446 51.640 -16.108 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 67.655 29.893 14.752 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 67.215 30.116 13.932 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 66.956 29.571 15.321 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 55.973 29.717 -6.697 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 55.597 30.017 -5.870 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 56.332 28.852 -6.498 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 42.989 82.955 51.700 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 42.654 83.603 51.080 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 42.824 82.112 51.278 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 21.944 35.621 18.135 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 21.383 34.874 17.926 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 21.570 35.985 18.937 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 90.523 74.147 44.758 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 89.694 74.300 44.305 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 90.301 74.194 45.688 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 45.128 33.072 -13.174 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 44.719 32.492 -12.532 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 44.560 33.842 -13.199 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 23.971 3.758 64.512 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 24.296 3.175 65.198 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 23.349 3.223 64.018 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 53.674 31.674 1.533 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 54.195 32.475 1.580 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 53.004 31.782 2.208 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 71.527 36.108 50.884 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 70.887 36.527 50.309 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 72.342 36.117 50.382 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 55.654 82.710 33.748 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 54.742 82.429 33.674 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 55.719 83.471 33.171 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 56.882 96.309 52.866 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 56.574 95.490 53.254 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 56.149 96.915 52.973 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 87.291 40.657 35.060 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 87.344 40.100 34.283 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 86.661 40.216 35.630 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 68.677 11.385 -0.948 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 68.417 11.270 -1.861 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 68.344 12.250 -0.710 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 50.070 17.175 33.661 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 50.610 16.414 33.878 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 49.687 16.964 32.810 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 64.038 46.450 -3.217 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 64.577 47.153 -2.855 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 64.546 46.113 -3.954 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 22.125 45.444 53.219 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 21.931 45.741 52.330 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 22.798 46.048 53.532 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 36.180 61.415 6.050 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 36.268 61.406 7.004 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 37.077 61.491 5.727 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 50.539 12.890 63.520 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 51.205 13.556 63.692 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 49.708 13.362 63.573 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 38.677 94.410 -16.827 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 39.570 94.631 -17.094 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 38.209 94.270 -17.650 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 34.171 34.529 22.204 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 34.622 35.303 21.866 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 33.300 34.845 22.443 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 44.821 60.473 9.353 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 45.554 59.929 9.642 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 45.048 61.356 9.643 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 80.216 39.330 49.749 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 80.192 40.072 49.144 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 81.007 38.849 49.508 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 80.968 30.966 32.931 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 80.596 31.727 32.484 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 80.336 30.264 32.775 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 37.518 22.528 43.361 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 37.155 22.021 44.087 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 37.037 22.224 42.591 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 29.666 17.024 26.778 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 29.811 17.831 27.271 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 29.122 16.486 27.353 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 81.598 76.845 34.620 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 82.236 76.676 35.313 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 81.461 77.792 34.646 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 64.800 25.773 54.717 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 64.037 26.128 55.174 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 64.596 25.882 53.789 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 35.758 73.877 25.430 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 36.709 73.768 25.413 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 35.434 73.276 24.760 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 21.268 76.306 34.440 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 21.778 76.575 33.675 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 21.910 76.244 35.147 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 63.633 46.034 -18.201 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 62.756 45.762 -17.932 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 64.155 45.986 -17.400 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 45.226 87.695 12.363 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 44.337 87.469 12.091 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 45.342 87.246 13.201 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 87.856 21.850 7.278 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 88.135 21.467 6.446 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 88.557 21.628 7.891 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 75.250 7.754 60.439 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 74.402 8.126 60.200 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 75.400 8.055 61.335 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 34.385 15.893 -0.683 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 33.882 15.174 -0.300 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 33.984 16.035 -1.541 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 50.154 67.169 -9.691 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 50.974 66.704 -9.527 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 49.472 66.560 -9.410 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 36.422 30.457 27.007 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 37.018 31.146 26.715 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 36.601 30.365 27.943 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 37.519 96.259 30.914 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 37.733 96.236 29.982 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 37.420 97.190 31.115 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 78.645 53.041 -6.844 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 79.053 53.064 -7.710 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 78.840 52.166 -6.510 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 79.320 1.302 1.650 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 79.933 1.054 0.959 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 78.991 0.470 1.990 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 43.670 24.964 32.288 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 43.417 24.713 31.400 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 44.037 25.843 32.194 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 50.414 41.569 27.068 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 50.818 40.720 26.889 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 50.541 42.071 26.262 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 32.866 30.486 6.849 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 32.054 30.433 6.344 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 32.727 29.897 7.591 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 25.087 12.681 42.242 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 25.676 12.834 42.981 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 25.614 12.881 41.469 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 30.806 7.089 59.128 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 30.940 7.354 58.218 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 29.865 7.186 59.270 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 89.280 56.545 -1.088 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 90.162 56.848 -0.876 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 89.138 55.796 -0.510 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 37.919 12.785 66.489 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 37.618 11.883 66.384 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 38.692 12.717 67.049 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 59.187 10.742 -10.764 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 59.364 11.124 -11.624 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 59.471 9.831 -10.844 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 77.886 45.938 49.238 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 77.343 46.676 48.962 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 78.694 46.340 49.556 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 38.197 47.010 42.560 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 38.568 46.794 43.415 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 38.522 46.324 41.977 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 55.288 2.588 -8.543 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 55.256 1.631 -8.556 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 55.666 2.803 -7.690 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 32.257 24.918 18.956 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 32.755 24.494 19.656 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 31.478 24.371 18.852 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 24.457 45.841 -18.845 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 25.296 46.149 -18.503 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 24.293 45.022 -18.378 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 86.754 68.212 35.939 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 86.951 67.275 35.928 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 85.827 68.266 35.710 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 69.142 24.806 -14.977 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 68.484 24.934 -14.294 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 68.640 24.787 -15.792 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 68.869 45.308 51.247 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 68.804 46.257 51.353 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 69.645 45.063 51.750 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 76.793 31.153 -19.758 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 75.957 31.301 -20.200 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 76.554 30.767 -18.915 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 23.066 13.389 -17.457 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 22.726 12.906 -18.211 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 22.989 14.309 -17.708 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 23.004 48.814 21.275 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 22.328 48.956 21.938 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 22.926 47.888 21.047 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 38.958 3.756 14.748 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 39.485 4.546 14.626 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 39.196 3.441 15.620 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 32.297 16.566 7.402 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 32.933 16.206 8.020 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 31.509 16.039 7.534 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 58.356 14.439 40.547 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 57.681 13.911 40.121 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 58.280 15.301 40.139 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 64.541 59.715 26.278 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 64.291 60.165 25.471 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 63.794 59.152 26.480 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 88.481 49.186 10.756 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 89.287 48.791 11.089 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 87.901 48.443 10.590 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 51.173 76.742 25.109 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 51.784 76.178 25.582 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 50.504 76.145 24.775 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 51.726 45.171 48.026 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 51.248 45.953 47.748 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 52.638 45.456 48.083 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 54.013 74.434 -9.132 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 54.660 74.725 -9.774 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 53.900 73.500 -9.311 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 35.259 41.222 -11.543 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 35.282 41.352 -10.594 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 34.490 41.713 -11.833 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 80.108 5.094 -11.800 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 79.536 4.332 -11.710 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 80.807 4.803 -12.385 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 71.629 3.669 -16.218 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 70.734 3.923 -16.442 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 72.172 4.382 -16.554 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 52.416 33.400 9.378 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 51.540 33.081 9.161 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 52.449 33.381 10.334 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 21.105 3.173 61.007 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 20.754 4.058 61.108 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 21.352 3.117 60.084 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 83.818 87.041 45.810 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 83.110 86.796 45.214 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 84.381 87.616 45.292 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 85.948 77.271 0.584 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 86.593 76.565 0.622 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 85.396 77.052 -0.167 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 57.498 16.500 -11.288 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 58.330 16.562 -11.758 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 57.268 17.407 -11.087 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 44.316 43.195 25.341 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 44.735 44.054 25.301 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 44.831 42.649 24.747 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 74.594 47.740 51.341 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 75.129 48.519 51.494 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 74.033 47.976 50.603 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 41.406 47.878 5.376 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 42.288 48.242 5.447 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 40.861 48.465 5.901 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 39.564 59.163 -16.310 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 39.404 59.784 -17.021 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 39.364 59.654 -15.513 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 45.188 44.032 -2.751 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 45.731 43.303 -2.451 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 45.482 44.780 -2.231 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 48.200 46.752 51.818 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 48.351 47.263 51.023 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 48.627 45.913 51.648 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 50.572 69.851 52.920 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 50.300 70.748 53.113 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 51.528 69.888 52.908 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 26.686 87.730 2.235 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 26.111 87.822 2.995 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 27.058 86.852 2.321 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 66.800 0.110 4.149 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 67.567 0.187 3.581 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 67.083 -0.466 4.859 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 33.014 31.778 65.305 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 32.135 32.068 65.062 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 33.595 32.447 64.943 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 82.948 88.021 39.481 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 83.778 88.417 39.746 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 83.182 87.427 38.768 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 44.575 10.612 36.349 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 45.449 10.993 36.439 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 44.623 10.090 35.548 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 69.045 18.411 11.994 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 68.980 17.846 12.764 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 69.183 17.807 11.264 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 50.890 57.006 -2.560 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 51.560 56.975 -1.877 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 50.668 57.934 -2.637 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 70.723 68.584 35.608 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 70.592 68.926 34.724 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 71.663 68.677 35.765 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 68.491 56.491 10.571 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 67.579 56.562 10.855 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 68.850 55.774 11.093 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 30.238 68.894 22.461 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 29.883 68.733 23.335 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 30.465 68.025 22.130 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 24.866 69.941 44.565 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 25.540 69.261 44.590 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 25.264 70.689 45.009 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 79.734 42.767 12.396 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 79.863 43.689 12.174 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 80.583 42.359 12.228 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 53.053 3.971 -5.057 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 52.173 4.050 -5.425 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 53.610 4.465 -5.658 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 90.176 34.734 57.073 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 89.295 34.470 56.809 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 90.040 35.294 57.838 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 79.675 15.457 1.881 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 79.180 14.912 2.493 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 80.544 15.532 2.275 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 49.600 52.014 60.710 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 49.012 51.288 60.499 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 50.473 51.623 60.712 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 69.694 14.410 10.858 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 70.285 13.977 10.241 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 69.443 15.223 10.419 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 44.938 9.072 8.282 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 44.086 8.663 8.130 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 45.156 9.490 7.449 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 59.306 91.949 48.279 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 59.890 91.209 48.115 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 59.756 92.701 47.893 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 61.931 51.636 35.555 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 61.548 51.704 34.680 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 61.919 52.532 35.892 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 66.749 38.636 -4.609 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 66.914 38.648 -5.552 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 66.962 39.523 -4.318 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 47.353 78.031 39.897 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 46.650 78.676 39.969 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 46.993 77.346 39.334 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 52.265 7.170 -7.210 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 52.203 7.899 -7.827 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 51.735 7.443 -6.462 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 70.345 66.175 58.309 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 70.297 66.625 57.466 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 69.440 66.149 58.619 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 62.055 60.667 54.420 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 62.262 61.551 54.721 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 62.113 60.718 53.466 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 70.602 24.546 12.552 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 71.530 24.410 12.743 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 70.169 24.473 13.402 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 27.882 17.315 3.360 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 28.743 16.897 3.372 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 28.069 18.248 3.259 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 48.645 60.853 -12.560 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 49.382 61.193 -12.051 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 49.051 60.311 -13.236 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 77.226 38.258 49.732 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 77.402 38.521 48.829 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 78.081 38.289 50.162 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 59.672 46.258 5.390 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 58.880 45.798 5.113 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 59.507 46.492 6.304 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 45.137 43.131 56.191 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 44.330 43.146 56.705 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 45.053 42.356 55.634 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 76.281 38.695 -12.216 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 75.486 38.766 -11.688 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 76.876 39.344 -11.841 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 32.127 77.004 35.965 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 32.715 76.356 35.577 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 32.317 77.814 35.493 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 28.866 20.703 -5.925 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 27.948 20.803 -5.674 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 29.300 20.396 -5.130 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 53.369 17.887 50.317 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 52.455 18.128 50.165 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 53.329 16.985 50.633 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 23.437 40.169 22.874 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 24.129 40.088 23.530 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 23.890 40.081 22.035 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 47.783 39.391 42.910 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 46.992 39.764 42.522 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 48.401 39.329 42.182 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 68.165 22.016 -0.002 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 68.626 22.755 0.395 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 68.179 22.202 -0.941 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 49.224 39.106 32.407 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 49.380 39.256 31.474 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 48.884 38.213 32.452 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 50.679 67.004 66.088 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 50.235 66.309 66.573 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 50.049 67.724 66.070 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 31.590 23.593 31.270 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 32.189 23.575 32.017 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 31.782 22.787 30.790 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 47.659 92.350 8.245 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 47.571 93.250 8.560 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 48.279 91.944 8.850 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 62.795 34.372 64.115 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 62.979 34.853 64.922 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 63.490 34.639 63.513 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 33.402 32.603 -8.371 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 33.460 31.670 -8.576 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 34.303 32.863 -8.180 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 26.801 95.138 24.745 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 27.459 94.944 24.078 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 27.249 94.986 25.577 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 66.686 92.476 16.701 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 66.945 91.610 17.017 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 65.829 92.337 16.297 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 22.428 76.075 64.674 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 22.361 76.133 65.627 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 23.304 76.406 64.475 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 60.563 30.731 -13.271 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 60.656 30.468 -12.356 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 59.627 30.901 -13.378 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 66.225 66.638 25.471 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 66.025 65.729 25.247 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 65.473 67.135 25.147 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 85.396 49.318 1.720 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 85.858 49.159 2.543 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 84.904 48.512 1.562 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 81.250 59.154 36.584 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 80.726 58.928 35.815 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 80.935 60.019 36.843 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 34.936 52.521 22.347 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 34.862 52.570 21.394 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 35.716 53.037 22.554 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 76.215 22.117 53.886 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 76.934 22.383 53.313 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 75.554 22.801 53.774 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 23.848 54.389 26.731 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 23.645 53.943 25.909 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 23.427 53.853 27.404 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 49.848 0.917 30.035 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 49.342 0.208 29.639 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 49.220 1.379 30.591 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 89.745 52.096 -11.956 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 88.941 51.949 -12.454 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 90.330 52.539 -12.570 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 68.922 13.542 51.072 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 68.329 13.454 50.326 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 69.467 14.299 50.858 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 71.594 53.815 -0.326 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 71.515 54.543 0.291 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 71.402 53.036 0.196 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 38.433 16.502 -14.510 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 37.617 16.870 -14.850 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 38.607 15.746 -15.070 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 54.053 20.695 21.488 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 54.530 21.397 21.045 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 53.187 20.699 21.080 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 74.045 63.686 35.501 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 73.652 64.184 36.218 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 74.084 64.305 34.772 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 52.148 13.188 67.059 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 52.614 12.480 66.615 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 51.516 12.743 67.624 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 44.467 92.042 -16.960 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 45.164 91.642 -17.481 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 43.657 91.738 -17.370 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 45.865 18.778 0.268 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 45.831 19.730 0.358 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 45.145 18.459 0.813 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 25.994 8.576 54.823 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 26.371 7.770 55.177 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 26.241 9.253 55.453 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 52.889 61.648 -16.026 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 53.718 61.178 -15.936 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 52.858 62.228 -15.265 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 39.380 43.803 63.898 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 39.603 44.572 63.373 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 39.209 43.115 63.256 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 86.883 20.668 41.497 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 86.363 21.010 40.770 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 87.693 20.363 41.090 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 40.586 92.729 41.690 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 40.164 92.640 42.544 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 39.919 92.451 41.062 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 52.912 31.884 51.382 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 53.346 32.002 50.538 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 52.363 32.662 51.480 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 22.662 55.528 -16.265 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 22.247 55.266 -15.443 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 22.744 56.479 -16.200 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 81.753 31.277 -18.900 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 81.748 32.169 -18.555 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 81.630 31.384 -19.843 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 76.510 72.249 -7.425 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 76.782 72.726 -8.209 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 75.866 71.615 -7.742 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 74.184 36.658 52.947 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 74.833 35.991 53.170 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 73.852 36.392 52.090 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 78.787 66.164 9.008 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 78.476 65.876 9.867 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 79.049 65.357 8.565 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 29.956 60.569 34.329 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 30.255 61.260 34.919 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 30.760 60.189 33.976 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 24.585 24.810 51.880 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 24.422 25.424 52.596 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 24.528 23.946 52.287 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 24.838 48.576 -19.669 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 25.513 48.456 -19.001 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 24.385 47.734 -19.707 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 89.172 66.890 11.514 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 90.010 66.904 11.051 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 88.524 67.100 10.842 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 26.830 14.392 59.372 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 27.171 13.562 59.705 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 27.038 14.379 58.437 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 80.558 8.104 58.014 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 80.414 8.540 57.174 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 80.994 8.763 58.554 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 40.574 22.831 6.326 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 41.323 22.732 6.912 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 40.017 23.481 6.754 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 45.748 17.547 67.057 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 45.578 16.605 67.049 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 46.609 17.632 67.466 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 64.210 68.082 -10.802 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 65.118 67.820 -10.954 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 64.115 68.079 -9.850 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 42.314 33.707 37.282 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 43.012 33.808 36.635 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 41.767 34.484 37.169 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 21.671 25.748 7.078 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 21.824 24.803 7.091 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 22.187 26.084 7.810 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 32.527 43.163 -9.043 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 31.971 42.385 -9.005 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 32.465 43.545 -8.167 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 83.733 52.528 10.468 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 82.996 52.163 10.957 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 83.728 53.460 10.685 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 77.633 64.985 -5.480 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 78.352 65.421 -5.023 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 76.844 65.423 -5.159 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 53.095 69.270 13.482 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 52.918 69.502 14.394 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 53.838 69.820 13.234 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 88.285 13.034 -5.067 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 88.004 13.504 -4.282 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 89.035 12.513 -4.780 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 24.254 63.580 40.057 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 24.241 63.218 39.171 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 23.460 63.238 40.468 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 39.788 27.958 -4.835 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 39.010 27.627 -4.386 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 39.764 28.904 -4.691 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 56.371 68.817 42.899 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 56.927 68.041 42.836 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 55.915 68.854 42.059 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 78.515 60.385 33.474 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 78.976 59.585 33.725 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 79.036 60.747 32.757 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 34.406 36.625 39.966 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 34.482 36.999 39.088 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 34.507 35.682 39.835 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 79.198 73.477 -16.538 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 80.021 73.934 -16.362 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 79.243 72.686 -16.002 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 26.460 27.034 64.887 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 26.762 26.184 65.209 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 25.562 27.108 65.212 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 46.850 36.384 22.320 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 47.151 37.164 21.854 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 47.653 35.947 22.602 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 68.742 18.564 -17.756 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 69.677 18.694 -17.911 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 68.457 17.991 -18.468 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 30.730 49.487 57.138 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 30.152 49.209 56.428 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 31.593 49.562 56.730 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 85.909 54.707 7.412 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 86.213 55.609 7.512 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 86.170 54.274 8.225 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 58.297 60.734 23.690 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 57.820 61.486 24.041 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 57.634 60.223 23.227 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 79.214 94.719 46.284 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 79.307 94.275 45.441 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 78.286 94.949 46.334 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 73.565 17.114 64.246 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 73.050 17.607 64.886 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 74.461 17.152 64.580 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 84.716 79.377 54.086 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 84.279 80.179 54.372 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 85.615 79.647 53.900 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 32.619 6.326 12.542 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 32.952 6.266 13.437 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 31.962 5.632 12.484 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 65.445 31.323 -5.794 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 66.203 31.870 -5.589 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 64.844 31.463 -5.062 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 51.672 28.211 11.744 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 51.161 27.502 11.354 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 51.426 28.989 11.243 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 48.051 40.756 25.020 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 48.027 41.700 25.177 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 48.869 40.613 24.543 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 81.501 28.477 5.869 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 80.893 28.682 5.159 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 81.898 29.318 6.095 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 77.428 67.238 58.827 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 77.518 66.477 58.254 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 77.356 66.870 59.707 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 80.540 32.694 -3.775 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 80.326 32.658 -2.843 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 80.230 31.858 -4.124 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 77.810 37.621 11.465 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 76.901 37.841 11.263 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 78.185 38.435 11.800 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 50.571 25.430 -10.016 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 50.309 24.652 -9.523 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 51.495 25.552 -9.797 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 51.838 50.258 55.876 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 52.318 51.082 55.967 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 51.786 50.114 54.931 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 79.194 89.503 43.693 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 78.721 90.116 44.256 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 79.542 90.046 42.986 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 21.371 21.942 -19.564 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 21.106 22.826 -19.309 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 20.988 21.819 -20.433 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 39.911 47.665 -4.740 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 40.158 47.516 -3.828 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 38.977 47.458 -4.773 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 22.027 30.256 12.688 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 22.734 30.776 12.305 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 22.118 30.385 13.632 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 25.154 27.206 0.236 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 25.672 26.536 -0.211 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 25.755 27.943 0.341 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 55.648 59.926 22.472 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 54.724 59.719 22.334 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 56.100 59.509 21.739 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 27.149 52.220 9.932 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 26.627 52.958 9.617 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 27.920 52.624 10.331 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 82.986 18.516 -7.028 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 82.870 17.940 -7.783 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 82.133 18.517 -6.593 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 23.810 23.165 6.345 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 23.510 22.962 7.232 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 24.741 23.363 6.446 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 78.088 94.442 12.397 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 78.979 94.409 12.047 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 77.982 93.611 12.861 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 76.636 50.537 66.307 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 76.494 51.387 66.723 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 75.865 50.021 66.545 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 43.335 53.742 20.485 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 42.636 53.779 19.832 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 43.212 54.532 21.012 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 44.164 41.418 39.588 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 43.541 41.989 40.039 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 43.836 41.367 38.690 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 87.775 20.816 48.475 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 87.123 21.221 49.047 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 88.070 20.044 48.957 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 64.431 30.675 43.866 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 63.581 30.493 44.267 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 64.311 31.513 43.419 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 48.553 78.400 9.412 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 48.835 77.808 8.714 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 48.713 77.912 10.220 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 32.797 56.067 57.286 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 32.239 55.554 56.702 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 33.461 56.447 56.711 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 43.629 18.082 1.798 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 42.945 17.629 2.291 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 44.422 17.961 2.320 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 36.985 80.977 -7.288 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 37.832 81.367 -7.072 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 36.992 80.129 -6.844 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 38.376 4.302 -19.769 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 38.979 3.890 -19.150 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 37.939 4.985 -19.260 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 29.232 14.582 47.154 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 29.239 13.627 47.090 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 28.900 14.761 48.034 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 54.054 59.806 -18.685 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 53.223 60.178 -18.980 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 54.657 59.960 -19.412 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 21.180 68.416 60.895 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 20.979 67.952 61.708 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 20.325 68.609 60.511 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 35.243 40.579 5.108 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 34.648 41.137 4.608 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 35.754 41.190 5.639 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 82.217 45.064 -8.242 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 82.002 45.096 -9.175 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 82.278 45.982 -7.979 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 28.424 68.141 11.901 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 29.366 67.977 11.854 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 28.343 68.930 12.437 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 44.456 52.905 22.976 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 44.078 52.484 23.748 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 44.724 53.771 23.282 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 72.671 12.494 65.447 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 73.128 13.161 64.934 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 73.320 11.801 65.571 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 69.141 87.098 46.592 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 68.519 87.769 46.313 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 69.874 87.589 46.964 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 81.027 86.131 36.095 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 80.538 86.926 36.309 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 80.371 85.536 35.731 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 85.961 37.360 -4.061 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 86.738 37.069 -4.538 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 85.899 38.296 -4.250 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 49.306 17.228 4.171 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 48.809 18.007 3.918 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 50.170 17.357 3.779 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 90.614 50.606 27.546 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 90.189 50.240 26.770 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 90.185 51.452 27.679 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 49.456 38.417 9.815 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 49.188 38.790 10.654 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 50.073 37.723 10.047 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 35.652 43.541 44.004 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 34.940 43.336 44.610 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 35.945 44.415 44.264 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 62.385 20.428 35.724 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 62.891 20.553 34.921 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 61.806 21.190 35.764 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 20.381 12.541 64.409 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 20.000 12.799 65.248 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 21.326 12.628 64.538 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 42.253 69.918 13.260 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 43.154 70.184 13.440 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 41.995 69.409 14.029 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 67.849 82.318 -15.953 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 68.724 82.312 -16.341 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 67.511 81.436 -16.110 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 68.058 62.361 16.127 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 67.554 61.665 16.550 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 67.492 62.669 15.419 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 68.374 10.813 -3.537 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 67.679 10.156 -3.590 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 68.836 10.742 -4.372 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 70.768 65.889 19.829 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 71.647 65.662 19.524 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 70.190 65.279 19.371 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 60.434 75.332 25.070 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 60.158 74.420 24.975 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 59.627 75.808 25.268 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 28.880 17.972 44.841 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 28.741 18.643 45.510 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 29.785 18.102 44.557 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 54.137 88.046 21.611 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 53.463 88.721 21.537 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 53.710 87.246 21.303 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 55.361 21.154 17.566 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 55.772 22.018 17.560 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 54.468 21.310 17.259 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 47.251 52.433 39.206 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 47.863 52.031 38.589 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 47.702 53.219 39.514 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 47.508 18.408 58.877 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 47.653 18.791 58.012 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 47.126 17.549 58.699 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 75.310 13.889 66.793 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 75.601 12.979 66.745 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 74.901 14.055 65.943 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 59.344 62.151 -7.162 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 58.655 61.930 -6.535 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 59.702 61.306 -7.433 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 51.895 9.418 3.168 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 51.311 10.168 3.051 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 52.266 9.536 4.042 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 77.995 81.129 -17.363 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 77.818 80.396 -16.774 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 78.810 81.509 -17.036 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 89.760 29.836 0.644 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 90.619 29.561 0.963 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 89.374 30.314 1.379 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 57.251 45.665 54.988 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 56.497 45.466 55.544 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 56.879 45.788 54.115 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 43.037 93.363 -12.219 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 43.771 92.748 -12.213 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 43.348 94.102 -12.742 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 33.101 46.700 51.343 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 32.870 45.864 51.748 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 33.461 46.462 50.489 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 41.343 24.874 27.429 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 41.224 24.464 26.572 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 40.475 24.847 27.831 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 24.364 24.486 24.930 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 24.091 24.400 25.844 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 24.115 23.654 24.526 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 42.366 42.400 -15.274 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 42.704 42.983 -15.955 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 42.103 42.987 -14.565 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 36.332 18.274 8.459 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 37.186 18.294 8.029 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 36.523 18.451 9.381 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 20.738 80.038 51.623 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 21.583 79.860 51.210 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 20.958 80.512 52.425 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 83.231 30.982 15.490 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 82.449 30.433 15.558 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 83.794 30.687 16.206 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 47.050 63.481 -6.582 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 46.773 63.404 -5.668 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 47.684 64.198 -6.581 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 21.821 4.071 51.471 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 22.226 3.349 50.991 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 21.616 3.703 52.330 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 31.031 51.092 52.544 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 31.692 50.572 52.086 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 30.490 50.447 52.998 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 32.334 32.049 59.772 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 31.401 31.892 59.916 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 32.624 31.305 59.244 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 21.711 84.021 12.588 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 21.032 83.461 12.212 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 21.463 84.116 13.507 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 48.762 80.766 66.498 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 49.518 81.052 65.985 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 48.960 81.044 67.392 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 84.461 11.065 48.382 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 84.193 10.185 48.647 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 83.697 11.613 48.564 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 31.633 9.490 6.949 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 32.472 9.451 7.408 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 31.205 8.660 7.159 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 87.535 9.928 4.265 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 87.065 9.692 3.465 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 86.965 10.561 4.701 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 51.175 64.813 11.869 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 51.952 64.637 12.400 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 51.507 65.294 11.111 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 51.130 36.437 10.982 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 51.168 36.537 11.933 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 50.793 35.551 10.847 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 40.022 14.970 61.811 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 39.256 14.771 62.350 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 39.941 14.388 61.055 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 86.721 14.407 5.182 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 87.639 14.423 4.910 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 86.737 14.682 6.099 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 51.297 45.710 37.659 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 51.140 45.822 36.721 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 51.228 46.594 38.020 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 62.610 35.942 -15.621 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 61.792 36.075 -16.100 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 62.340 35.845 -14.708 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 49.876 39.925 2.017 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 49.020 40.345 1.935 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 50.367 40.496 2.608 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 80.965 82.437 59.055 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 81.407 82.529 58.212 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 81.010 81.501 59.250 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 78.964 32.145 61.906 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 79.861 31.972 61.621 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 78.710 32.937 61.432 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 37.643 5.214 -10.725 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 38.479 5.319 -11.178 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 36.993 5.555 -11.339 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 21.086 36.870 -13.688 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 21.130 37.231 -12.803 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 21.986 36.918 -14.012 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 69.440 3.917 5.266 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 68.565 3.600 5.042 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 69.737 4.377 4.481 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 28.085 14.604 42.297 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 27.632 15.183 41.683 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 27.757 14.864 43.158 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 42.863 26.401 62.944 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 42.935 26.312 63.894 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 42.798 27.344 62.796 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 86.575 89.135 6.366 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 86.461 88.196 6.512 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 85.785 89.532 6.730 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 68.718 32.144 -8.498 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 68.403 33.037 -8.354 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 69.525 32.090 -7.988 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 80.716 81.346 15.727 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 81.428 81.741 16.231 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 80.636 81.902 14.951 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 67.380 4.778 23.779 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 67.631 3.951 23.368 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 66.450 4.875 23.575 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 45.962 19.057 32.997 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 46.647 18.744 32.406 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 45.149 18.941 32.505 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 44.513 61.816 15.645 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 45.286 62.378 15.599 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 43.772 62.421 15.599 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 66.445 64.876 52.560 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 65.511 65.022 52.714 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 66.512 64.723 51.618 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 43.853 70.471 0.298 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 44.757 70.217 0.481 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 43.367 70.211 1.081 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 31.731 88.990 39.038 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 30.896 88.523 39.024 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 32.014 89.003 38.124 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 22.095 44.177 33.360 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 21.908 43.295 33.680 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 21.476 44.309 32.643 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 34.699 32.645 48.653 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 34.685 32.478 49.595 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 33.841 32.352 48.344 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 75.554 50.591 -4.748 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 75.340 49.668 -4.614 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 74.757 51.060 -4.500 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 43.342 6.296 -6.970 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 42.751 6.986 -6.669 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 43.099 5.528 -6.452 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 49.573 64.223 5.959 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 49.296 64.862 6.615 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 49.943 63.501 6.467 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 25.190 34.449 66.654 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 25.516 35.331 66.830 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 24.314 34.436 67.040 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 60.645 34.910 39.336 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 61.149 34.819 38.527 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 60.777 35.821 39.599 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 29.957 91.779 38.170 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 29.243 91.148 38.077 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 30.178 91.755 39.101 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 87.794 33.978 8.168 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 87.016 34.149 7.637 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 87.739 33.046 8.380 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 67.321 49.450 39.224 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 67.600 49.914 40.013 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 66.376 49.595 39.181 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 57.838 28.645 -19.379 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 56.994 29.069 -19.229 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 58.486 29.302 -19.124 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 79.920 2.230 48.772 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 80.615 2.268 49.429 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 79.604 1.327 48.808 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 60.480 10.518 38.985 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 59.620 10.100 39.026 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 60.365 11.348 39.448 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 47.306 50.449 0.979 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 47.903 50.329 0.240 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 47.881 50.568 1.734 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 41.415 0.933 67.038 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 40.683 0.643 67.582 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 41.026 1.555 66.423 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 64.271 34.474 9.764 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 63.342 34.269 9.871 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 64.284 35.393 9.498 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 88.240 41.464 -15.193 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 87.294 41.607 -15.185 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 88.342 40.524 -15.045 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 80.700 24.712 36.699 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 81.200 25.507 36.513 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 80.887 24.133 35.961 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 72.264 0.339 36.119 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 71.633 -0.377 36.198 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 72.121 0.872 36.901 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 69.774 35.266 2.608 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 68.921 35.310 3.039 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 70.401 35.502 3.292 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 75.304 25.162 16.280 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 75.294 25.127 17.237 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 74.395 25.001 16.025 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 27.421 12.701 -9.670 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 27.084 12.078 -10.314 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 28.373 12.621 -9.734 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 28.696 15.229 -19.063 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 28.008 14.737 -19.511 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 29.503 14.761 -19.277 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 37.719 57.084 -8.886 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 37.207 57.265 -8.098 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 38.629 57.108 -8.592 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 31.316 52.770 26.827 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 32.150 52.663 27.284 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 31.175 53.717 26.805 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 24.941 76.904 -7.838 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 25.281 77.078 -6.960 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 25.717 76.900 -8.399 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 30.320 1.346 62.062 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 30.824 1.777 62.753 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 30.597 1.782 61.256 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 85.409 37.124 43.283 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 86.314 37.430 43.231 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 85.305 36.550 42.525 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 57.074 94.114 58.539 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 57.626 93.896 57.788 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 56.179 93.978 58.227 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 68.179 26.581 2.799 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 67.735 27.362 3.130 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 69.067 26.877 2.598 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 77.339 41.695 27.830 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 76.559 41.693 27.275 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 78.056 41.471 27.238 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 22.356 26.161 -8.141 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 21.432 26.263 -7.914 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 22.594 26.989 -8.557 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 83.812 79.644 44.179 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 83.325 79.389 43.395 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 84.488 80.240 43.858 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 46.084 0.477 33.034 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 46.185 -0.448 32.810 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 46.829 0.668 33.604 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 51.846 31.664 -7.414 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 51.163 31.053 -7.137 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 52.340 31.849 -6.616 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 73.959 59.861 58.952 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 73.498 59.489 58.200 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 74.331 60.680 58.624 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 68.983 36.016 -16.683 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 68.497 35.528 -16.018 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 69.669 35.414 -16.970 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 51.071 61.591 5.676 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 51.619 61.866 4.942 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 51.478 61.992 6.444 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 42.080 8.688 -17.453 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 42.701 9.207 -17.964 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 41.279 8.689 -17.977 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 54.228 10.284 22.272 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 53.944 9.973 21.413 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 55.010 9.767 22.468 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 35.609 24.911 30.705 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 34.832 25.244 30.258 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 36.227 25.642 30.691 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 90.354 24.507 3.433 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 90.524 25.438 3.577 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 91.005 24.241 2.785 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 90.349 0.056 53.519 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 89.399 0.020 53.408 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 90.481 0.017 54.466 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 75.321 42.504 10.532 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 74.748 42.450 11.297 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 75.129 43.360 10.149 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 50.061 7.686 -18.650 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 49.235 7.283 -18.385 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 50.589 6.958 -18.979 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 84.810 13.662 -14.454 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 84.198 14.104 -13.864 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 85.211 14.370 -14.957 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 72.988 31.782 -4.035 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 73.071 31.240 -3.250 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 72.473 32.538 -3.752 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 23.764 94.423 15.193 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 23.529 94.270 16.108 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 24.721 94.458 15.194 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 62.591 24.058 30.655 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 62.703 25.000 30.529 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 63.129 23.852 31.418 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 54.830 27.893 14.376 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 54.066 27.953 14.949 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 55.553 28.230 14.905 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 63.829 13.160 42.284 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 63.900 12.934 41.356 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 63.168 12.560 42.627 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 64.131 26.232 63.459 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 63.940 26.395 62.535 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 65.086 26.249 63.514 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 65.697 23.297 35.579 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 66.339 22.915 34.981 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 66.173 23.414 36.401 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 51.193 1.804 -16.518 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 50.377 1.925 -16.032 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 51.451 0.901 -16.332 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 77.610 18.505 -14.621 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 77.353 17.802 -14.024 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 77.064 19.248 -14.364 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 75.225 59.454 -13.057 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 74.439 59.707 -13.541 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 75.093 59.812 -12.180 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 51.693 44.807 57.585 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 51.726 45.327 58.389 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 52.006 45.401 56.903 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 60.680 0.239 25.130 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 61.030 -0.646 25.028 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 60.908 0.485 26.027 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 81.413 73.402 46.401 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 80.508 73.713 46.382 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 81.409 72.693 47.045 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 41.279 66.142 47.455 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 41.354 66.795 46.759 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 42.160 65.776 47.536 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 23.530 79.013 -20.093 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 24.275 78.565 -20.493 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 23.694 78.958 -19.152 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 28.136 76.393 58.620 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 28.625 75.982 59.333 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 27.243 76.064 58.721 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 57.708 90.209 -2.761 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 58.169 89.551 -2.239 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 56.986 90.496 -2.201 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 26.059 7.862 0.441 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 26.247 7.293 -0.305 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 26.425 8.711 0.195 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 34.997 28.903 62.965 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 34.763 28.141 63.495 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 35.748 28.614 62.447 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 21.529 63.353 45.100 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 20.868 64.045 45.144 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 22.111 63.622 44.389 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 30.987 24.750 -14.340 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 30.908 25.398 -13.640 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 31.381 23.987 -13.918 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 43.763 41.150 -10.030 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 44.641 40.770 -10.055 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 43.315 40.674 -9.331 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 81.881 91.435 -1.572 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 82.419 90.759 -1.985 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 81.169 90.951 -1.153 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 82.238 13.585 39.921 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 82.606 13.737 39.050 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 81.803 14.408 40.145 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 54.619 26.142 63.349 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 54.220 25.424 63.840 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 55.067 26.667 64.013 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 79.424 13.824 -6.935 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 79.639 13.208 -7.636 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 78.483 13.972 -7.025 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 45.946 10.296 -11.102 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 45.781 9.767 -10.322 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 45.291 10.002 -11.735 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 36.040 88.355 18.533 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 36.977 88.300 18.348 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 35.889 89.277 18.739 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 89.494 90.243 44.218 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 89.290 89.421 44.664 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 88.662 90.717 44.194 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 77.131 4.398 62.472 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 76.789 4.808 61.678 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 77.606 3.628 62.159 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 40.162 83.066 26.736 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 39.528 82.891 26.041 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 40.316 82.213 27.141 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 50.285 39.582 -12.597 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 50.549 39.431 -11.690 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 49.587 38.945 -12.753 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 59.348 57.686 -11.303 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 58.776 57.471 -12.040 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 59.679 56.840 -11.002 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 82.444 45.258 50.097 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 82.017 46.090 50.298 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 82.544 45.262 49.145 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 55.927 24.709 -16.489 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 55.872 25.023 -15.586 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 56.190 25.479 -16.994 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 39.374 80.424 42.611 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 40.237 80.138 42.309 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 38.766 80.084 41.954 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 27.987 5.783 -3.883 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 28.803 5.852 -3.387 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 27.820 6.672 -4.196 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 87.617 16.275 7.317 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 88.509 16.619 7.357 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 87.088 17.016 7.019 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 64.260 60.139 36.581 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 63.512 59.570 36.757 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 64.115 60.457 35.689 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 28.988 60.101 15.180 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 29.613 59.963 15.891 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 28.784 59.221 14.865 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 83.374 69.954 15.506 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 84.197 70.359 15.779 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 83.242 70.261 14.609 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 71.514 85.950 34.046 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 71.972 85.110 34.013 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 70.844 85.831 34.719 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 58.917 4.645 -6.638 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 59.199 5.174 -5.892 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 58.047 4.329 -6.392 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 83.377 7.015 8.284 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 82.455 7.260 8.352 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 83.847 7.849 8.264 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 39.803 11.691 24.346 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 39.833 12.442 23.753 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 39.695 10.934 23.771 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 80.953 86.224 0.022 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 81.856 86.346 0.317 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 81.035 85.803 -0.834 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 53.989 2.806 -11.643 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 54.414 1.977 -11.426 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 54.682 3.335 -12.038 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 67.126 72.288 38.308 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 66.536 73.022 38.140 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 67.854 72.421 37.701 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 63.172 46.463 66.505 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 63.732 46.183 67.228 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 63.763 46.923 65.908 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 37.439 2.543 62.019 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 37.628 3.467 62.183 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 36.635 2.551 61.500 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 22.131 91.351 -8.259 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 23.050 91.092 -8.330 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 21.918 91.231 -7.334 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 32.118 83.143 65.327 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 32.293 82.498 64.642 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 31.995 82.622 66.121 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 70.643 6.615 66.772 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 69.810 6.145 66.729 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 70.949 6.645 65.865 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 24.191 49.126 54.255 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 23.442 48.790 54.748 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 24.339 48.475 53.570 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 66.356 57.505 55.362 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 65.487 57.675 54.999 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 66.770 56.919 54.728 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 76.209 52.965 63.561 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 75.863 53.225 62.706 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 75.434 52.733 64.072 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 62.729 12.398 50.569 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 63.615 12.675 50.335 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 62.404 11.949 49.788 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 39.363 15.581 43.863 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 38.410 15.531 43.794 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 39.678 14.799 43.411 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 70.248 -0.305 3.654 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 70.978 -0.393 4.267 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 70.344 0.576 3.291 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 42.869 75.450 53.315 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 43.686 75.591 52.837 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 42.274 75.072 52.668 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 32.036 65.463 17.340 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 32.357 64.561 17.316 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 32.803 65.996 17.130 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 52.860 67.413 11.076 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 53.751 67.120 11.265 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 52.596 67.901 11.855 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 85.663 4.993 2.919 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 86.165 4.251 2.581 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 84.749 4.726 2.829 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 65.031 96.614 6.984 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 64.780 96.219 7.819 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 65.863 96.195 6.761 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 26.668 92.047 36.949 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 27.185 91.363 37.377 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 27.216 92.830 37.002 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 40.977 31.572 38.336 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 41.378 32.411 38.108 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 40.050 31.685 38.128 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 58.101 82.458 4.222 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 58.087 81.523 4.424 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 57.349 82.590 3.644 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 81.765 17.945 -13.780 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 82.369 18.178 -13.074 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 80.895 18.054 -13.397 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 72.546 49.810 -15.365 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 73.028 49.096 -14.949 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 73.177 50.528 -15.417 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 49.679 59.101 64.103 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 50.347 58.416 64.112 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 48.983 58.765 64.667 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 24.279 84.820 26.401 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 24.792 85.011 27.186 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 23.867 83.975 26.583 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 47.525 27.245 49.723 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 47.051 28.029 49.999 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 47.444 27.238 48.769 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 59.241 96.181 10.001 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 60.073 96.261 9.535 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 58.924 97.080 10.085 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 82.218 90.340 45.926 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 82.247 90.796 45.085 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 81.360 90.559 46.289 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 22.390 4.059 44.041 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 22.251 4.843 44.572 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 23.310 3.835 44.180 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 63.143 43.397 11.224 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 63.514 43.460 12.104 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 62.482 44.089 11.192 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 38.546 18.560 12.081 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 38.067 17.739 11.969 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 39.421 18.291 12.361 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 32.562 45.293 40.202 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 33.239 45.856 39.826 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 32.867 44.403 40.030 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 40.947 37.537 48.885 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 41.421 36.844 48.425 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 40.502 38.025 48.191 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 57.420 65.598 37.613 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 58.043 65.477 36.897 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 56.738 64.946 37.450 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 86.261 27.196 57.892 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 87.214 27.127 57.831 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 86.103 28.101 58.162 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 88.589 40.212 11.700 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 89.247 39.638 12.091 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 88.958 41.092 11.784 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 47.685 83.563 26.787 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 47.954 82.656 26.933 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 46.747 83.570 26.978 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 56.790 13.215 -0.538 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 56.457 12.413 -0.137 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 57.718 13.038 -0.694 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 88.658 84.962 -9.867 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 88.743 85.344 -8.993 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 87.892 84.392 -9.806 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 41.774 56.695 54.678 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 41.481 56.870 53.784 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 41.142 57.153 55.231 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 44.388 58.266 59.726 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 44.864 57.591 59.242 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 44.588 59.079 59.262 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 46.304 24.985 53.180 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 45.823 25.396 53.898 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 46.854 24.327 53.606 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 52.812 52.833 -7.394 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 53.421 52.122 -7.594 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 52.022 52.392 -7.083 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 24.576 15.798 43.765 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 25.314 16.406 43.812 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 24.505 15.578 42.836 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 20.785 64.385 -1.609 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 20.881 63.804 -0.854 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 19.840 64.470 -1.729 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 36.820 8.343 66.413 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 36.363 7.700 66.957 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 36.557 8.130 65.518 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 79.556 21.351 50.148 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 79.674 22.248 49.833 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 79.196 20.879 49.397 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 74.067 52.297 -11.041 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 73.530 51.985 -10.313 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 74.740 52.838 -10.629 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 62.850 7.508 25.398 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 63.140 8.003 24.631 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 61.911 7.682 25.455 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 81.777 15.656 -15.280 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 81.006 15.441 -14.756 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 82.195 16.376 -14.807 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 48.884 39.416 40.474 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 48.177 39.434 39.829 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 49.673 39.238 39.962 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 89.789 16.875 -10.385 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 89.820 17.809 -10.593 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 89.866 16.838 -9.432 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 30.338 14.867 65.021 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 29.985 14.250 65.662 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 29.947 15.708 65.257 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 52.096 33.485 4.567 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 51.493 33.531 5.309 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 52.565 34.319 4.587 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 41.874 25.773 53.466 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 41.679 26.209 52.637 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 41.918 24.843 53.242 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 42.267 32.710 -11.188 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 42.315 33.315 -10.448 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 41.857 31.923 -10.829 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 63.678 78.615 42.809 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 63.895 78.381 41.907 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 64.043 77.903 43.336 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 25.030 49.293 -11.396 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 24.256 49.838 -11.539 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 25.727 49.916 -11.190 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 36.837 6.436 -18.350 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 36.309 5.699 -18.043 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 36.961 6.983 -17.575 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 34.034 12.862 66.086 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 33.939 13.813 66.033 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 33.415 12.523 65.439 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 51.962 35.772 7.827 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 52.382 36.514 8.263 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 51.928 35.089 8.497 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 61.345 16.379 -9.251 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 61.248 16.726 -10.139 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 61.542 17.147 -8.715 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 50.952 39.707 5.909 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 51.016 40.464 5.326 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 50.995 40.078 6.790 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 65.660 89.205 -7.054 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 66.047 89.738 -7.749 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 65.006 89.775 -6.650 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 51.264 37.976 24.310 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 50.558 37.330 24.303 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 51.482 38.104 23.386 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 61.831 3.740 35.509 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 61.483 3.720 36.400 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 62.775 3.850 35.622 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 85.127 57.247 10.663 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 85.714 57.982 10.486 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 84.581 57.182 9.880 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 47.898 50.658 -1.842 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 48.043 50.950 -2.742 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 47.807 51.467 -1.339 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 69.295 50.084 19.414 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 68.741 49.993 18.638 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 69.343 51.027 19.565 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 32.481 31.184 48.412 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 32.969 30.440 48.060 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 31.589 30.855 48.525 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 88.474 28.865 32.692 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 88.045 29.358 31.992 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 89.280 29.350 32.868 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 79.697 57.533 30.963 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 79.575 57.313 30.039 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 78.925 57.171 31.399 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 87.091 11.304 -17.256 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 87.113 11.513 -16.322 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 86.197 10.999 -17.412 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 41.786 89.827 -10.573 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 41.698 88.875 -10.542 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 41.610 90.114 -9.677 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 78.727 20.239 -9.493 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 79.426 19.599 -9.629 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 79.051 20.800 -8.788 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 78.052 83.323 14.645 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 78.697 83.064 13.987 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 78.095 84.279 14.660 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 30.040 4.642 18.598 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 29.561 4.339 19.368 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 30.673 5.272 18.942 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 20.803 41.401 59.153 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 20.910 40.634 58.589 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 21.148 41.124 60.002 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 51.883 27.789 4.722 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 52.259 28.015 5.572 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 52.312 26.968 4.480 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 51.521 30.880 16.794 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 51.700 31.746 17.160 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 50.567 30.843 16.723 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 40.163 47.634 34.579 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 41.088 47.876 34.625 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 39.719 48.276 35.132 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 69.243 44.929 45.726 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 70.061 45.194 46.148 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 69.262 45.363 44.873 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 70.722 5.838 3.485 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 70.149 6.580 3.678 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 71.294 6.151 2.785 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 33.040 18.200 -5.081 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 33.586 17.752 -5.727 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 32.206 18.343 -5.530 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 39.388 50.439 56.365 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 40.051 50.790 56.960 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 39.834 49.730 55.901 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 50.775 48.901 34.024 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 50.008 49.414 34.280 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 50.799 48.966 33.069 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 40.452 42.505 54.587 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 41.385 42.648 54.426 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 40.017 42.872 53.818 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 84.810 43.133 38.531 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 84.807 43.343 39.465 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 84.065 42.543 38.416 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 65.071 67.600 34.174 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 64.850 66.807 34.663 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 64.388 67.669 33.507 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 68.263 77.270 -9.544 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 68.358 76.352 -9.798 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 68.632 77.314 -8.662 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 27.031 42.458 61.696 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 27.186 42.648 62.621 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 27.877 42.149 61.370 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 85.314 94.413 30.242 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 85.275 93.561 30.676 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 86.239 94.529 30.025 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 42.725 37.167 6.421 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 42.120 36.453 6.622 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 43.592 36.763 6.452 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 33.243 92.148 1.187 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 32.902 91.518 0.551 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 34.179 91.953 1.240 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 87.526 62.836 57.614 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 86.666 62.426 57.519 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 87.853 62.514 58.454 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 21.002 12.619 -9.035 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 20.070 12.822 -9.107 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 21.386 12.961 -9.842 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 56.280 41.789 35.262 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 56.193 42.564 35.817 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 55.385 41.466 35.159 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 27.142 33.522 46.762 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 27.845 34.161 46.873 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 27.042 33.122 47.626 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 54.641 40.579 58.845 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 54.339 40.817 59.721 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 55.247 41.278 58.601 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 35.714 12.176 62.898 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 35.193 11.676 63.526 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 35.699 11.648 62.100 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 85.213 89.091 40.331 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 85.882 88.765 40.933 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 85.425 90.017 40.214 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 74.604 31.660 36.068 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 73.994 30.970 36.331 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 75.045 31.912 36.880 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 46.863 72.889 6.200 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 46.547 72.468 5.401 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 47.409 72.226 6.622 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 72.199 56.031 -5.090 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 72.745 55.660 -5.783 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 72.823 56.381 -4.454 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 78.432 65.222 35.092 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 77.746 65.170 34.428 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 79.227 64.941 34.639 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 43.716 32.824 52.067 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 43.981 33.581 52.590 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 44.396 32.744 51.398 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 67.222 17.772 34.865 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 67.966 17.737 34.263 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 67.424 18.499 35.454 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 43.224 90.047 0.776 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 43.860 90.762 0.752 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 43.612 89.399 1.363 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 28.906 52.322 49.747 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 27.987 52.278 50.012 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 29.284 53.003 50.303 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 40.958 36.041 36.684 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 40.302 36.584 37.121 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 41.498 36.663 36.197 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 75.936 15.798 53.573 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 76.657 16.369 53.307 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 75.175 16.377 53.617 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 48.664 68.498 2.147 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 49.246 67.746 2.253 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 48.853 69.057 2.900 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 65.655 19.119 48.601 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 65.202 18.786 49.376 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 64.966 19.530 48.079 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 46.967 16.205 57.475 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 47.758 16.079 56.952 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 46.396 16.738 56.922 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 85.785 87.539 -11.433 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 85.717 88.488 -11.326 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 85.746 87.194 -10.541 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 66.781 23.694 15.293 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 66.424 22.846 15.554 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 66.476 24.301 15.968 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 42.908 0.222 -3.196 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 42.869 -0.728 -3.300 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 42.492 0.388 -2.349 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 39.066 69.104 36.184 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 39.253 70.029 36.022 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 39.860 68.768 36.600 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 40.047 33.273 -19.516 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 39.098 33.185 -19.425 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 40.407 32.608 -18.929 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 40.126 48.101 39.028 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 40.924 48.492 38.672 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 39.444 48.751 38.858 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 33.444 50.265 41.833 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 33.854 51.072 41.523 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 33.271 50.424 42.761 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 50.792 53.565 23.585 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 51.537 53.855 24.111 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 51.178 53.287 22.754 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 32.389 20.749 7.784 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 33.215 20.704 7.303 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 32.082 19.843 7.819 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 41.085 95.266 38.194 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 40.288 95.007 38.657 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 41.797 95.020 38.786 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 24.349 64.441 53.790 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 25.282 64.631 53.700 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 24.002 65.176 54.296 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 22.071 55.279 33.127 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 22.517 55.325 32.281 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 21.375 54.635 32.996 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 37.084 71.983 7.981 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 36.501 71.297 8.306 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 37.901 71.528 7.778 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 89.829 1.336 -4.943 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 90.689 1.289 -5.360 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 89.338 1.962 -5.475 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 65.271 5.686 62.109 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 65.339 4.740 61.983 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 64.550 5.953 61.539 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 56.273 36.140 38.528 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 56.912 36.674 39.001 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 55.649 36.772 38.172 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 88.974 81.989 17.836 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 89.378 82.818 18.093 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 89.580 81.318 18.154 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 26.707 38.753 28.209 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 26.062 39.450 28.087 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 27.420 38.978 27.611 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 62.933 49.233 -16.391 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 63.501 49.957 -16.128 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 62.732 48.777 -15.574 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 61.062 61.376 35.902 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 60.113 61.357 36.027 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 61.332 60.461 35.985 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 69.053 73.422 54.080 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 69.882 73.636 53.652 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 69.295 72.819 54.783 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 31.637 66.183 7.557 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 30.682 66.171 7.622 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 31.877 67.094 7.729 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 21.836 89.866 33.954 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 21.487 89.477 33.152 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 22.682 90.231 33.694 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 49.168 21.379 -2.336 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 48.286 21.683 -2.122 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 49.303 21.654 -3.243 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 80.864 70.453 1.405 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 80.205 69.865 1.774 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 80.591 70.579 0.496 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 68.261 33.517 30.150 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 68.003 32.608 30.304 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 67.740 34.024 30.773 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 64.346 1.060 0.406 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 64.656 1.163 1.306 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 64.943 1.596 -0.116 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 21.941 3.012 58.562 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 22.565 2.301 58.415 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 22.198 3.689 57.936 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 33.847 34.023 5.662 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 34.526 33.935 6.330 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 33.069 34.303 6.145 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 21.638 63.929 -15.133 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 22.110 64.234 -15.908 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 20.983 64.607 -14.969 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 40.675 27.582 48.520 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 39.721 27.503 48.503 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 40.943 27.448 47.611 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 32.214 12.101 -8.191 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 31.575 12.494 -8.785 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 32.142 11.160 -8.350 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 76.605 67.683 12.206 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 75.825 67.729 11.654 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 77.114 68.458 11.969 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 37.408 78.801 19.268 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 36.742 78.218 18.904 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 37.984 78.223 19.768 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 49.425 64.914 -6.284 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 48.958 64.959 -5.449 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 49.681 65.819 -6.464 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 34.252 54.711 -8.261 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 34.287 54.285 -7.404 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 33.660 55.452 -8.137 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 52.122 48.666 1.814 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 52.901 48.124 1.941 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 52.347 49.506 2.213 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 53.150 74.448 44.316 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 52.502 73.751 44.412 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 52.888 74.913 43.522 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 89.528 28.683 49.532 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 90.362 28.628 49.065 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 89.405 27.810 49.906 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 63.597 67.267 24.684 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 63.192 66.942 23.880 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 62.860 67.506 25.245 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 32.725 42.593 -2.142 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 32.999 43.045 -2.940 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 31.779 42.732 -2.101 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 60.449 13.921 15.595 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 59.842 14.132 14.886 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 60.068 14.337 16.369 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 50.414 40.155 66.901 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 49.636 39.602 66.829 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 51.148 39.543 66.849 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 35.519 85.507 49.424 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 35.867 86.312 49.807 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 36.237 85.164 48.891 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 44.287 20.458 -15.122 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 43.569 19.939 -14.760 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 44.924 19.810 -15.422 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 88.389 80.184 -14.787 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 88.307 80.387 -13.855 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 88.769 79.306 -14.809 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 55.408 60.291 66.637 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 55.616 59.570 66.043 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 54.812 60.850 66.137 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 43.915 45.042 53.752 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 42.995 45.306 53.740 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 44.368 45.728 53.260 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 41.158 67.141 -16.028 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 41.865 66.696 -16.495 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 41.605 67.716 -15.407 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 68.985 32.745 -12.499 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 68.978 31.940 -11.983 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 69.119 33.442 -11.856 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 37.208 48.423 -11.794 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 37.869 48.091 -11.187 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 37.557 48.222 -12.662 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 25.441 23.517 28.363 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 24.740 23.520 29.015 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 25.809 22.635 28.410 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 55.027 54.408 12.607 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 55.258 55.245 13.009 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 54.072 54.371 12.663 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 28.797 3.068 -11.392 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 29.006 3.544 -12.196 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 27.841 3.020 -11.383 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 36.681 36.160 1.290 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 37.480 36.686 1.309 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 36.028 36.698 1.737 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 31.430 27.934 15.395 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 30.599 27.912 15.869 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 31.434 28.785 14.958 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 29.490 61.641 41.175 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 30.187 62.152 40.763 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 29.889 60.789 41.352 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 66.889 73.253 21.436 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 66.127 73.214 22.014 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 66.776 72.512 20.840 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 78.996 57.771 34.616 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 78.259 57.862 34.013 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 78.594 57.548 35.455 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 53.546 23.348 -16.305 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 52.854 23.930 -15.991 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 54.335 23.889 -16.301 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 90.038 46.140 -16.989 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 89.667 45.722 -16.211 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 90.265 45.412 -17.567 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 48.764 57.919 -10.682 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 47.919 58.367 -10.646 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 48.795 57.535 -11.558 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 51.973 63.963 55.184 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 51.309 64.532 54.793 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 52.511 63.680 54.444 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 83.937 90.394 51.735 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 84.586 91.028 51.429 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 84.339 89.541 51.572 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 23.963 51.104 5.554 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 23.433 50.778 4.827 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 24.755 51.446 5.139 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 47.713 2.378 52.967 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 48.055 1.496 53.111 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 48.480 2.946 53.031 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 48.600 55.015 -13.256 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 49.356 55.542 -12.998 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 48.787 54.752 -14.157 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 50.058 68.654 -12.059 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 50.604 68.052 -12.566 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 50.039 68.277 -11.179 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 47.535 85.733 16.753 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 47.392 84.787 16.769 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 48.431 85.845 17.070 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 39.724 78.624 1.543 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 39.721 79.466 1.998 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 40.525 78.637 1.019 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 53.807 41.591 23.324 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 54.556 42.087 22.992 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 53.139 41.682 22.645 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 81.178 68.957 25.209 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 80.255 69.188 25.105 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 81.654 69.717 24.873 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 23.363 68.258 28.887 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 23.167 69.130 29.230 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 23.471 68.389 27.945 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 72.091 79.462 32.134 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 71.499 79.357 32.879 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 72.146 78.589 31.746 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 80.883 10.669 7.515 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 81.096 9.856 7.971 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 81.636 11.238 7.673 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 29.950 41.879 1.003 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 29.450 42.477 0.448 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 29.952 41.051 0.522 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 50.379 60.934 55.172 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 49.460 61.013 54.918 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 50.865 61.060 54.357 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 56.395 56.873 17.071 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 56.725 57.740 16.833 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 55.884 57.020 17.867 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 53.767 77.011 -17.655 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 53.044 77.626 -17.531 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 53.438 76.180 -17.312 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 75.999 53.718 -9.104 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 75.118 53.793 -8.737 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 76.402 53.001 -8.615 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 50.402 80.531 1.462 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 50.289 81.351 1.943 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 49.766 79.933 1.856 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 89.064 13.791 -8.619 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 89.219 14.733 -8.551 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 88.111 13.703 -8.601 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 59.301 40.407 -9.518 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 59.166 39.461 -9.560 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 59.933 40.529 -8.810 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 47.345 53.026 -0.493 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 47.025 53.091 0.407 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 46.630 53.372 -1.028 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 79.879 90.971 7.448 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 79.199 91.575 7.151 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 79.748 90.184 6.921 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 31.569 47.819 19.157 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 31.358 48.727 19.376 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 32.402 47.653 19.597 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 82.033 55.005 43.014 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 81.104 55.232 43.051 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 82.412 55.415 43.791 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 34.376 73.987 52.664 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 34.525 74.858 53.033 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 34.078 74.153 51.770 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 70.583 51.844 9.286 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 69.740 51.552 9.632 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 71.204 51.173 9.572 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 51.919 86.323 30.611 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 52.113 85.922 31.458 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 51.468 85.637 30.118 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 53.337 20.792 29.772 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 53.273 19.963 29.298 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 53.555 21.437 29.100 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 39.661 64.902 -9.170 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 39.777 65.812 -8.899 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 40.407 64.440 -8.787 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 34.604 8.436 18.801 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 35.098 8.749 19.559 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 34.395 9.228 18.307 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 68.418 16.271 55.716 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 68.048 16.431 56.584 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 69.297 16.648 55.756 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 81.486 61.419 20.710 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 80.978 61.735 19.962 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 80.957 61.649 21.474 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 71.050 26.256 5.286 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 70.682 26.332 4.405 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 70.319 26.457 5.870 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 45.219 7.134 41.914 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 45.681 6.317 41.726 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 45.207 7.600 41.079 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 49.862 84.014 46.162 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 49.846 84.454 47.011 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 50.722 84.224 45.798 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 61.861 0.976 53.682 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 62.020 1.490 54.473 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 62.694 0.999 53.210 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 64.163 72.520 -0.776 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 64.022 73.375 -1.182 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 63.321 72.303 -0.376 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 44.445 91.466 15.187 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 45.171 91.229 14.611 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 43.681 91.498 14.611 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 64.804 82.277 -14.847 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 64.154 82.260 -15.549 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 65.645 82.205 -15.297 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 22.828 6.907 10.174 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 22.437 7.774 10.283 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 23.542 6.884 10.810 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 23.047 74.283 5.493 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 23.354 75.060 5.961 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 22.443 74.623 4.833 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 48.816 60.125 0.069 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 49.078 60.852 0.635 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 48.691 59.388 0.667 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 23.169 50.690 27.662 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 23.369 50.077 26.955 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 22.213 50.728 27.683 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 52.783 78.615 25.954 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 52.298 77.853 25.638 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 53.604 78.598 25.462 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 70.291 61.718 63.088 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 69.562 61.197 62.751 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 70.652 61.193 63.802 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 48.603 94.571 61.995 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 48.994 94.898 62.805 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 48.036 95.283 61.698 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 25.452 28.227 52.217 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 25.380 28.312 53.167 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 24.548 28.249 51.904 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 28.496 19.268 42.185 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 28.961 20.059 42.454 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 28.440 18.740 42.982 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 41.665 44.197 42.675 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 42.319 44.792 43.041 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 42.157 43.644 42.068 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 22.096 91.364 59.595 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 21.703 90.507 59.763 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 21.349 91.948 59.462 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 33.415 77.068 0.845 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 34.296 77.355 0.606 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 33.518 76.145 1.077 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 55.486 21.021 4.072 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 55.664 21.932 4.306 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 55.695 20.524 4.863 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 43.941 76.391 -13.855 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 43.988 75.858 -14.649 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 43.080 76.807 -13.896 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 67.012 73.608 0.754 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 67.135 72.668 0.621 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 66.388 73.668 1.477 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 20.950 24.317 -12.356 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 20.657 24.919 -11.671 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 21.891 24.222 -12.204 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 72.835 31.718 16.562 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 72.823 32.185 15.726 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 71.924 31.463 16.707 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 48.173 40.263 61.978 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 47.530 40.070 61.295 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 48.825 39.567 61.896 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 40.894 13.753 54.225 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 40.947 12.873 54.597 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 41.202 14.328 54.925 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 32.737 6.813 -4.904 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 33.619 6.855 -4.536 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 32.164 7.088 -4.188 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 24.654 18.371 55.500 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 24.493 17.590 54.970 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 25.532 18.657 55.245 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 48.231 4.470 45.565 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 48.433 4.160 44.682 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 48.176 5.422 45.478 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 66.370 78.027 18.169 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 66.584 78.889 17.813 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 67.204 77.558 18.182 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 68.533 28.452 40.952 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 68.434 29.391 41.105 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 67.871 28.245 40.293 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 59.479 78.686 67.551 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 59.775 78.026 66.925 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 59.408 79.490 67.037 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 25.749 83.083 32.327 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 25.965 82.173 32.122 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 24.839 83.053 32.622 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 71.883 30.271 27.464 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 72.615 29.679 27.642 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 71.702 30.688 28.306 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 44.605 91.999 50.982 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 44.806 91.217 50.468 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 44.889 92.729 50.431 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 54.040 41.226 -9.673 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 54.364 40.923 -8.825 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 53.111 41.402 -9.525 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 51.125 31.701 33.897 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 50.490 31.031 33.643 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 50.811 32.022 34.742 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 64.919 84.746 62.788 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 64.835 83.793 62.763 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 64.022 85.063 62.896 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 29.723 27.423 -18.427 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 29.887 28.059 -17.731 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 29.480 27.954 -19.186 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 48.819 75.290 46.795 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 48.269 74.507 46.779 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 49.232 75.311 45.932 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 62.450 30.781 3.973 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 62.278 30.116 4.640 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 63.400 30.894 3.985 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 72.933 76.321 -13.979 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 73.888 76.295 -14.020 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 72.740 76.779 -13.161 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 35.702 62.159 15.895 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 36.157 61.320 15.970 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 36.389 62.815 16.013 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 20.516 88.358 -16.948 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 20.098 88.786 -16.201 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 21.450 88.369 -16.740 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 64.844 21.860 30.090 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 64.043 21.999 29.584 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 65.004 22.699 30.522 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 58.712 20.402 -6.755 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 59.151 21.041 -6.194 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 57.793 20.671 -6.751 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 87.575 66.479 1.334 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 87.105 65.694 1.616 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 88.492 66.299 1.544 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 67.375 71.867 42.670 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 67.884 71.069 42.813 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 66.603 71.762 43.226 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 46.707 2.281 16.518 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 47.085 2.541 15.678 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 46.902 1.347 16.590 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 53.139 81.710 -7.575 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 53.937 81.183 -7.527 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 53.120 82.036 -8.474 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 44.127 32.299 61.515 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 44.858 32.768 61.111 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 43.720 32.943 62.095 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 57.253 39.469 -15.927 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 56.535 39.479 -15.294 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 57.875 40.116 -15.594 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 21.008 0.457 -16.836 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 21.920 0.619 -16.592 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 20.536 1.229 -16.524 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 57.807 91.499 52.989 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 58.340 91.075 52.316 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 57.143 91.984 52.499 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 62.044 79.824 7.810 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 62.756 80.146 7.258 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 62.283 78.918 8.006 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 65.862 13.410 15.141 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 65.025 13.517 14.688 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 65.728 13.822 15.994 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 32.604 21.372 -9.093 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 31.691 21.452 -9.370 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 32.573 20.797 -8.328 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 59.744 86.699 6.157 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 59.206 86.881 6.928 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 59.883 85.752 6.180 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 21.170 94.256 13.963 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 20.669 93.596 14.441 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 22.035 94.244 14.371 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 61.608 9.895 -7.320 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 60.760 9.454 -7.374 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 61.690 10.359 -8.153 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 28.178 89.573 6.985 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 27.894 88.899 7.602 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 27.938 90.399 7.407 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 46.822 87.837 -11.229 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 45.950 87.574 -11.523 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 47.398 87.131 -11.525 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 86.674 90.062 12.282 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 85.839 90.527 12.324 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 86.591 89.360 12.927 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 69.526 76.330 46.948 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 69.650 75.497 46.493 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 70.050 76.957 46.449 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 32.543 61.336 31.333 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 33.082 61.945 31.837 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 32.769 61.514 30.420 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 40.460 90.200 39.107 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 40.734 89.806 39.935 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 40.549 89.495 38.465 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 65.169 7.038 23.777 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 64.482 7.272 23.153 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 65.152 6.081 23.805 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 61.004 53.080 -0.435 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 60.580 53.509 0.309 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 61.685 53.693 -0.710 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 30.041 45.026 30.369 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 30.277 44.336 29.750 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 29.271 45.443 29.982 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 45.068 16.276 37.599 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 45.675 17.011 37.517 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 44.838 16.255 38.528 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 23.981 66.965 58.196 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 23.781 67.892 58.330 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 24.516 66.947 57.403 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 82.338 26.709 2.535 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 81.840 26.504 1.744 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 82.842 27.490 2.305 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 37.882 45.666 3.445 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 37.565 45.305 4.272 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 38.836 45.623 3.514 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 64.436 78.929 14.048 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 63.817 79.571 14.396 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 64.043 78.081 14.253 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 29.687 8.281 0.141 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 30.077 8.616 0.948 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 29.656 9.038 -0.444 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 81.658 4.008 -14.804 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 82.242 3.776 -14.083 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 81.777 3.307 -15.445 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 66.703 56.927 4.716 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 67.498 56.692 5.196 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 66.261 56.092 4.561 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 28.040 94.608 36.396 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 28.956 94.330 36.411 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 27.946 95.164 37.170 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 37.624 54.120 7.964 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 37.151 53.365 8.314 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 38.519 54.011 8.284 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 65.414 66.947 62.745 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 66.234 67.176 63.183 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 65.413 67.476 61.947 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 40.710 45.525 4.581 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 41.066 46.399 4.738 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 40.198 45.331 5.366 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 48.792 38.911 12.509 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 48.345 38.064 12.521 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 49.185 38.986 13.379 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 68.837 30.649 -18.817 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 68.220 31.348 -19.035 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 68.386 30.130 -18.151 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 30.801 93.516 63.731 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 29.918 93.240 63.484 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 31.109 92.831 64.325 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 25.350 76.710 28.450 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 25.239 76.692 27.499 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 25.001 75.869 28.747 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 28.790 32.775 19.885 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 28.711 33.192 19.027 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 29.718 32.554 19.961 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 74.464 90.458 61.744 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 74.270 90.549 62.677 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 73.818 89.829 61.425 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 66.268 81.789 31.241 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 66.727 82.394 30.659 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 65.852 81.158 30.653 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 70.276 67.700 -12.829 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 69.696 67.158 -13.365 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 69.700 68.090 -12.172 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 81.750 28.236 34.924 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 80.862 27.989 34.665 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 81.830 29.153 34.662 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 28.098 95.877 -18.471 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 27.206 95.530 -18.458 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 28.541 95.425 -17.752 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 52.680 43.309 37.689 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 52.112 44.078 37.744 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 53.460 43.619 37.228 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 47.751 89.785 37.562 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 46.848 90.100 37.615 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 47.767 89.234 36.779 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 74.552 1.227 -4.376 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 74.289 1.969 -4.920 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 75.498 1.329 -4.273 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 69.040 74.796 28.568 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 69.145 74.223 27.808 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 68.277 74.446 29.028 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 50.927 80.385 22.194 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 51.864 80.492 22.356 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 50.530 80.403 23.065 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 64.199 2.802 58.959 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 64.528 3.107 58.113 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 63.339 3.215 59.045 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 34.573 9.048 32.274 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 34.096 8.645 33.000 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 34.445 8.448 31.540 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 48.582 13.357 38.069 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 47.951 13.664 38.721 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 49.307 13.005 38.585 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 52.464 82.218 16.848 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 51.573 82.345 16.522 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 52.754 81.401 16.442 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 35.023 26.026 56.659 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 35.639 25.370 56.984 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 35.556 26.810 56.524 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 30.290 76.873 46.069 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 29.961 76.819 45.171 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 29.855 76.154 46.527 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 31.841 14.512 62.824 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 31.364 14.408 63.647 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 32.449 15.233 62.988 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 33.842 12.654 44.004 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 33.402 11.856 43.711 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 33.954 12.533 44.947 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 57.578 5.614 -13.422 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 58.182 5.098 -13.955 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 57.928 5.552 -12.534 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 80.627 7.641 -11.657 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 80.426 6.731 -11.436 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 80.175 7.792 -12.487 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 38.486 43.297 44.523 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 39.043 44.072 44.595 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 37.673 43.620 44.135 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 65.168 85.782 49.285 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 64.756 85.383 48.518 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 66.087 85.885 49.037 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 32.531 12.440 55.893 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 32.826 12.772 55.045 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 31.600 12.258 55.769 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 64.194 90.093 22.798 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 63.930 89.175 22.738 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 65.139 90.062 22.951 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 88.891 77.800 37.628 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 88.919 76.862 37.818 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 88.012 77.947 37.279 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 25.349 63.405 -14.461 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 26.180 63.112 -14.087 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 25.087 62.697 -15.049 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 35.801 14.204 29.147 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 35.480 13.357 28.838 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 36.558 14.390 28.592 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 21.817 4.533 33.531 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 22.178 4.928 32.738 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 22.152 3.636 33.527 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 58.515 11.777 48.997 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 59.333 11.541 48.559 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 58.787 12.320 49.736 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 34.077 4.332 14.538 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 33.964 5.256 14.762 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 34.054 3.877 15.380 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 54.059 43.858 50.593 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 53.171 43.585 50.360 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 54.237 43.414 51.422 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 88.421 29.545 -8.002 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 87.556 29.213 -8.242 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 88.684 30.090 -8.744 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 86.901 7.585 8.247 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 86.323 8.231 7.841 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 86.657 6.754 7.839 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 77.137 90.423 1.446 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 76.816 91.324 1.472 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 76.365 89.899 1.234 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 87.832 93.327 47.579 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 87.075 93.354 46.994 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 87.810 92.449 47.960 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 45.876 21.291 34.791 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 46.395 21.750 34.130 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 45.835 20.387 34.478 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 85.821 78.485 -10.780 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 85.763 78.643 -9.838 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 84.911 78.417 -11.069 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 50.494 79.186 11.398 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 50.406 78.460 10.781 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 51.256 78.956 11.931 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 82.536 6.348 58.937 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 81.968 7.027 58.573 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 82.616 6.573 59.864 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 62.763 11.684 5.172 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 61.924 12.135 5.261 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 62.997 11.433 6.065 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 77.124 26.486 44.365 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 77.401 27.255 44.863 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 76.314 26.759 43.933 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 75.892 21.849 -0.482 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 76.418 22.644 -0.389 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 76.483 21.140 -0.227 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 68.282 93.661 31.327 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 68.217 92.980 30.658 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 68.212 94.483 30.841 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 62.336 11.965 7.666 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 61.810 12.013 8.464 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 62.543 12.877 7.460 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 49.062 4.215 42.873 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 49.420 3.329 42.920 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 49.326 4.536 42.011 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 41.512 18.505 25.536 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 41.566 17.621 25.900 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 42.221 18.545 24.895 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 25.451 25.578 -4.874 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 26.170 25.408 -4.265 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 25.124 26.442 -4.624 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 88.419 52.219 -9.035 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 87.465 52.236 -9.112 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 88.734 52.403 -9.920 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 73.039 24.357 15.192 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 72.391 23.657 15.275 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 73.547 24.123 14.416 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 78.827 33.347 52.110 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 78.780 33.264 51.157 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 79.410 32.638 52.383 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 76.791 38.779 19.952 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 76.710 39.664 19.598 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 77.581 38.427 19.543 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 82.730 46.047 47.440 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 83.027 46.945 47.291 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 82.143 45.863 46.707 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 43.004 76.182 66.673 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 43.363 75.388 66.278 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 43.362 76.191 67.561 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 56.065 8.619 63.521 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 56.647 7.978 63.931 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 55.208 8.192 63.511 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 25.945 3.701 -4.401 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 26.639 4.290 -4.104 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 25.753 3.989 -5.294 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 61.732 49.056 -9.162 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 62.495 49.554 -8.868 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 61.694 48.304 -8.571 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 43.738 4.319 59.918 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 44.342 3.738 59.455 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 43.192 4.697 59.228 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 65.374 20.745 33.005 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 65.573 20.003 33.576 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 65.189 20.350 32.153 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 39.957 41.086 38.124 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 39.485 41.745 38.633 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 40.525 41.592 37.543 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 20.763 15.309 40.621 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 20.959 15.037 39.724 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 20.213 14.608 40.969 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 23.557 68.482 -5.696 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 23.444 67.656 -5.225 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 23.664 69.138 -5.007 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 56.833 21.730 11.210 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 56.790 22.250 12.012 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 57.746 21.795 10.931 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 55.602 13.856 58.626 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 54.724 14.239 58.626 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 56.118 14.438 58.069 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 69.582 16.474 27.926 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 69.177 17.071 27.296 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 69.125 15.643 27.796 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 63.663 28.293 -0.302 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 63.955 27.435 -0.611 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 64.461 28.722 0.005 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 73.950 46.002 21.448 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 73.275 45.896 22.118 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 74.173 46.933 21.478 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 36.027 4.524 27.168 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 36.264 5.448 27.094 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 35.374 4.499 27.868 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 85.142 2.789 1.083 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 85.156 3.411 0.355 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 84.360 3.021 1.582 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 82.702 7.687 43.300 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 82.550 6.917 43.848 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 83.531 7.506 42.857 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 43.243 50.848 51.814 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 43.961 50.693 51.200 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 42.940 49.972 52.054 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 64.037 3.288 52.875 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 64.874 3.754 52.868 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 63.383 3.968 52.712 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 30.338 7.682 4.446 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 29.591 8.209 4.162 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 29.953 6.850 4.720 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 40.388 67.313 -11.454 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 40.412 67.271 -10.498 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 40.197 66.417 -11.729 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 38.756 71.061 2.946 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 38.113 71.010 3.653 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 39.600 71.121 3.393 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 39.211 33.585 0.583 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 38.848 34.101 -0.137 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 39.879 33.036 0.172 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 82.672 18.060 0.794 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 83.533 18.427 0.595 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 82.491 18.344 1.691 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 61.917 44.131 40.847 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 61.829 44.603 40.018 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 61.499 43.285 40.686 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 32.624 76.110 58.500 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 32.088 75.892 57.738 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 32.311 75.524 59.189 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 58.901 7.707 19.534 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 59.533 8.420 19.445 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 59.326 6.956 19.120 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 37.399 15.884 21.635 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 38.171 15.887 22.201 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 37.619 15.273 20.932 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 87.941 35.684 17.946 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 88.804 35.361 18.204 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 87.326 35.162 18.462 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 53.386 35.456 -1.673 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 52.617 34.995 -1.340 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 53.513 36.184 -1.064 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 40.774 57.263 48.205 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 40.641 58.154 48.529 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 41.122 57.379 47.321 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 80.084 93.174 -4.836 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 80.761 93.799 -4.575 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 80.319 92.363 -4.384 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 40.176 44.375 36.261 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 40.937 44.790 35.854 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 40.378 44.370 37.197 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 39.674 85.288 20.386 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 39.783 85.270 19.435 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 40.418 84.788 20.722 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 90.656 19.704 -6.754 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 90.905 19.197 -5.981 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 89.754 19.441 -6.933 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 31.257 5.157 64.148 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 30.637 5.062 64.871 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 31.846 4.408 64.237 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 53.836 27.827 43.247 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 54.447 28.563 43.227 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 54.393 27.051 43.194 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 36.744 69.473 25.859 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 37.364 69.204 25.182 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 37.261 69.493 26.664 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 66.368 72.367 47.083 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 66.239 72.322 48.030 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 66.594 71.472 46.829 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 62.474 35.418 56.501 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 62.114 36.156 56.010 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 62.067 35.481 57.364 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 87.042 73.465 -7.635 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 86.513 73.398 -8.429 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 87.182 74.404 -7.518 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 86.076 63.782 14.476 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 86.847 64.281 14.207 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 86.002 63.084 13.826 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 31.137 24.117 66.133 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 31.221 24.459 67.023 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 31.057 23.170 66.246 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 66.937 94.757 59.951 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 67.675 94.149 60.009 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 66.325 94.456 60.623 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 40.258 63.263 10.506 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 40.579 63.460 11.386 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 40.960 63.557 9.924 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 77.571 73.900 17.964 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 76.734 73.435 17.970 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 77.728 74.100 17.041 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 32.301 30.903 -4.891 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 32.582 30.258 -4.243 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 32.115 31.691 -4.381 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 40.236 11.833 12.297 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 40.943 11.188 12.320 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 40.278 12.205 11.416 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 74.470 35.470 43.135 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 75.277 35.960 42.980 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 74.592 34.649 42.659 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 60.285 74.818 41.762 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 59.519 75.222 41.354 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 60.222 75.062 42.685 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 82.655 45.891 -15.714 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 82.021 45.402 -15.189 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 82.854 45.314 -16.450 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 66.820 8.984 10.133 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 66.010 9.142 10.618 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 67.517 9.221 10.744 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 61.924 81.258 -13.905 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 61.556 80.393 -13.720 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 62.771 81.258 -13.460 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 39.978 30.584 -14.151 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 39.321 30.200 -14.731 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 40.809 30.219 -14.456 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 30.707 40.946 14.354 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 31.273 41.690 14.149 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 30.979 40.671 15.230 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 29.913 85.154 -10.368 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 29.135 85.123 -10.925 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 30.435 85.872 -10.725 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 38.301 87.986 45.388 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 38.442 87.384 46.119 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 37.517 87.653 44.951 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 44.544 11.141 -4.450 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 44.090 11.231 -3.612 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 45.431 11.457 -4.278 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 24.069 24.368 -6.681 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 24.533 24.747 -5.934 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 23.673 25.119 -7.123 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 39.048 65.186 28.727 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 38.628 64.496 28.215 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 39.986 65.050 28.591 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 53.365 14.343 -2.084 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 54.236 14.727 -2.183 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 53.043 14.689 -1.251 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 20.819 33.823 65.867 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 20.068 34.323 65.547 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 20.743 33.861 66.821 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 64.337 55.795 -2.342 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 64.052 55.027 -2.839 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 63.849 55.744 -1.521 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 59.533 75.133 48.061 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 59.268 74.492 47.401 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 60.427 74.883 48.293 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 60.013 16.386 60.248 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 60.313 16.251 61.146 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 59.179 15.919 60.200 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 49.557 52.223 -14.438 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 49.937 51.935 -15.268 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 49.296 53.131 -14.597 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 29.662 55.997 48.708 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 29.750 55.354 48.005 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 30.487 55.941 49.190 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 76.966 27.249 15.961 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 76.216 26.662 15.861 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 76.715 27.840 16.671 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 26.534 28.727 15.838 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 26.039 27.984 16.184 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 27.360 28.711 16.322 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 80.419 45.035 29.367 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 80.966 45.485 28.723 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 80.584 45.498 30.188 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 84.786 7.044 -0.591 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 85.717 6.903 -0.762 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 84.476 6.207 -0.244 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 75.272 6.538 50.682 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 75.023 5.708 50.277 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 74.585 7.150 50.416 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 61.775 12.748 12.167 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 62.614 13.059 11.829 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 62.007 12.067 12.798 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 51.233 10.349 62.855 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 52.045 10.508 62.373 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 51.005 11.201 63.228 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 39.805 24.345 15.516 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 39.203 24.607 14.820 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 40.676 24.508 15.155 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 84.560 11.229 66.561 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 83.700 11.645 66.496 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 85.146 11.815 66.082 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 50.831 73.068 23.994 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 50.072 73.602 23.759 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 50.651 72.212 23.605 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 76.247 25.383 32.553 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 75.756 25.831 31.864 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 76.923 24.893 32.086 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 66.946 73.671 60.895 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 67.344 74.329 60.326 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 66.918 74.085 61.758 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 67.932 14.881 48.530 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 68.642 15.069 47.917 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 67.155 15.266 48.123 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 53.548 23.833 -2.153 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 53.529 24.781 -2.025 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 52.711 23.526 -1.804 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 61.356 34.094 9.567 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 61.330 34.859 10.142 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 61.114 34.434 8.705 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 78.619 86.556 24.625 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 78.850 85.918 23.950 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 79.282 86.437 25.304 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 42.058 59.083 13.531 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 42.943 59.079 13.896 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 41.616 59.803 13.981 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 63.718 79.797 64.369 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 63.595 79.954 65.305 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 63.576 78.856 64.263 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 86.512 48.962 -5.839 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 87.129 48.245 -5.986 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 85.930 48.640 -5.150 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 37.809 31.427 42.500 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 37.953 31.595 43.431 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 37.598 32.285 42.131 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 47.360 8.141 20.896 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 46.518 8.194 20.445 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 47.618 7.223 20.816 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 67.020 53.435 34.901 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 66.077 53.593 34.865 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 67.410 54.220 34.517 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 32.258 44.980 -0.164 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 32.900 45.663 -0.359 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 32.757 44.164 -0.202 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 67.322 1.505 14.399 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 67.633 1.804 15.254 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 68.032 0.957 14.065 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 72.416 68.726 -0.863 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 72.808 69.416 -1.398 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 72.720 68.909 0.026 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 46.735 13.340 15.146 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 46.827 13.998 15.836 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 47.634 13.125 14.899 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 89.238 30.800 51.400 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 89.393 29.970 50.950 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 90.069 30.997 51.833 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 20.744 83.554 -4.594 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 21.273 83.840 -3.850 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 20.691 84.323 -5.162 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 40.110 84.327 32.868 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 39.842 84.995 33.499 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 39.435 84.352 32.190 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 89.439 27.866 11.380 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 90.068 27.160 11.524 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 89.497 28.404 12.170 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 79.554 29.295 67.401 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 79.536 30.252 67.428 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 80.243 29.085 66.772 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 34.460 37.754 -6.074 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 34.767 38.391 -6.719 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 34.061 37.058 -6.596 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 55.878 69.055 -3.275 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 55.226 68.363 -3.378 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 55.739 69.387 -2.388 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 69.360 24.468 31.669 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 69.785 24.432 30.812 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 69.957 24.983 32.212 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 83.537 52.967 2.799 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 83.047 53.772 2.631 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 84.185 53.214 3.458 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 49.179 57.298 1.968 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 49.762 57.913 2.413 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 49.557 56.437 2.144 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 31.051 64.812 38.321 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 30.423 65.419 37.929 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 31.894 65.262 38.252 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 39.870 75.444 29.416 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 40.223 75.134 30.250 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 40.324 74.921 28.755 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 53.387 19.046 18.334 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 53.917 19.579 17.741 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 52.572 19.539 18.435 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 85.671 88.393 14.490 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 85.921 88.809 15.315 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 84.793 88.047 14.653 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 57.416 28.728 21.107 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 57.907 29.450 20.715 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 58.031 28.322 21.716 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 26.358 54.764 51.037 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 26.268 55.559 51.564 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 26.100 54.056 51.627 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 89.596 35.254 -5.760 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 89.232 34.396 -5.978 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 89.202 35.474 -4.915 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 85.267 31.908 62.063 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 85.055 32.146 61.160 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 86.217 31.790 62.064 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 44.070 57.186 2.314 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 43.450 57.471 2.985 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 44.871 56.983 2.797 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 81.997 33.744 -8.038 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 82.394 32.901 -7.818 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 81.561 34.021 -7.232 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 88.578 70.263 15.719 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 89.425 70.678 15.880 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 88.713 69.741 14.927 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 20.490 81.222 30.584 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 20.693 82.154 30.497 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 21.217 80.777 30.149 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 62.635 20.599 -6.734 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 62.949 20.667 -5.833 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 62.133 19.785 -6.753 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 41.096 41.963 -7.605 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 40.616 42.579 -7.052 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 40.792 42.149 -8.493 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 68.221 85.693 26.649 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 68.420 84.777 26.457 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 67.274 85.764 26.526 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 85.359 21.605 -20.125 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 84.882 21.877 -19.340 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 85.894 20.866 -19.835 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 65.001 50.250 8.962 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 64.495 50.997 8.642 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 64.436 49.841 9.618 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 28.777 43.195 64.592 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 28.406 44.050 64.812 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 28.274 42.573 65.116 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 20.585 22.545 -6.748 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 20.355 21.626 -6.610 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 21.343 22.518 -7.332 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 83.093 62.968 65.586 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 83.161 62.122 65.143 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 83.492 63.590 64.977 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 46.150 54.491 -4.321 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 45.287 54.363 -3.926 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 45.969 54.638 -5.249 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 85.756 64.078 55.756 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 86.041 63.543 55.015 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 86.467 64.006 56.393 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 39.538 27.215 16.102 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 39.174 27.870 16.698 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 39.559 26.408 16.617 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 75.714 73.187 0.646 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 74.800 73.439 0.776 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 75.682 72.247 0.472 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 81.048 36.615 62.163 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 80.611 36.369 61.348 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 81.094 37.571 62.132 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 22.154 49.003 -7.674 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 21.543 48.517 -8.228 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 21.714 49.063 -6.826 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 71.058 84.173 4.084 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 70.792 85.022 4.436 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 70.442 83.550 4.470 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 43.476 43.392 8.161 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 43.799 42.513 8.357 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 44.221 43.966 8.337 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 63.733 53.987 19.738 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 63.087 54.166 20.421 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 63.222 53.933 18.931 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 76.345 65.107 -1.254 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 76.680 64.236 -1.464 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 75.433 64.959 -1.004 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 42.426 64.268 -7.731 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 42.776 65.147 -7.586 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 42.342 63.895 -6.853 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 56.353 90.441 -13.249 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 56.304 90.022 -12.390 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 56.710 89.766 -13.825 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 48.357 19.078 53.942 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 48.982 18.475 54.346 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 47.861 18.535 53.329 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 59.007 28.342 -4.349 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 58.996 27.485 -3.923 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 58.931 28.969 -3.630 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 55.018 45.836 -4.408 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 55.751 45.260 -4.627 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 55.427 46.604 -4.010 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 25.655 90.459 -3.990 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 25.010 89.770 -3.835 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 26.401 90.218 -3.441 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 87.934 45.595 9.237 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 87.513 45.787 10.075 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 87.528 44.779 8.946 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 68.459 69.082 -11.512 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 67.686 69.304 -12.031 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 68.112 68.857 -10.649 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 52.338 29.270 14.713 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 52.323 29.966 15.370 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 51.902 29.651 13.951 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 86.331 74.697 49.530 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 85.490 74.981 49.171 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 86.836 74.417 48.766 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 72.969 44.916 -11.599 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 72.937 44.764 -10.654 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 72.053 45.018 -11.857 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 32.631 29.471 -2.452 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 33.309 28.845 -2.199 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 32.225 29.731 -1.625 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 47.776 36.592 29.039 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 48.504 36.981 28.554 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 47.109 36.422 28.374 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 83.998 87.976 4.129 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 83.196 88.251 4.575 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 84.290 87.205 4.615 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 70.423 85.580 57.673 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 70.387 84.666 57.954 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 70.927 85.561 56.859 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 28.347 59.255 1.485 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 27.596 58.699 1.278 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 28.227 59.488 2.406 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 30.596 37.117 16.754 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 31.439 37.472 17.036 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 30.375 37.618 15.969 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 24.274 19.685 -14.748 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 23.963 20.552 -14.489 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 23.490 19.135 -14.732 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 25.801 27.243 45.980 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 26.704 26.932 46.043 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 25.874 28.120 45.605 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 53.305 22.709 8.089 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 53.608 23.607 7.954 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 53.618 22.478 8.963 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 88.570 56.215 -12.004 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 88.711 56.673 -12.833 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 89.328 55.637 -11.917 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 83.952 63.617 11.525 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 83.229 62.992 11.471 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 83.702 64.214 12.230 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 72.980 85.901 -15.796 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 73.376 85.142 -16.224 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 73.554 86.632 -16.024 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 46.941 4.840 -3.258 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 46.180 4.705 -2.693 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 47.308 5.676 -2.971 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 59.639 34.947 3.777 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 58.872 35.379 3.401 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 59.690 35.286 4.671 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 30.965 7.702 42.293 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 30.525 7.596 41.449 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 30.257 7.675 42.937 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 25.739 14.021 33.423 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 24.856 14.117 33.781 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 25.619 13.510 32.623 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 30.558 68.200 -5.032 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 30.893 67.985 -4.162 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 31.337 68.227 -5.589 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 23.863 37.340 -18.540 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 23.993 36.511 -18.079 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 24.472 37.302 -19.278 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 33.936 91.330 20.529 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 33.815 92.006 21.196 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 33.381 91.609 19.801 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 40.931 2.840 41.582 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 40.193 3.381 41.302 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 41.689 3.219 41.137 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 35.203 51.698 19.797 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 35.513 50.820 20.018 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 35.022 51.660 18.858 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 48.151 46.071 -17.694 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 48.474 45.192 -17.891 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 48.640 46.338 -16.916 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 72.820 22.406 63.781 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 72.959 23.337 63.608 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 71.943 22.227 63.442 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 20.433 1.193 56.369 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 20.628 0.318 56.704 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 20.917 1.785 56.945 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 59.357 0.818 21.154 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 58.729 0.470 21.788 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 58.844 1.416 20.611 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 50.651 19.377 49.634 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 50.693 20.166 49.095 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 49.993 19.575 50.300 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 22.063 55.814 44.525 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 21.479 56.536 44.756 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 22.928 56.217 44.453 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 60.866 75.167 35.952 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 60.869 74.458 36.595 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 59.944 75.274 35.719 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 79.177 5.241 66.463 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 79.513 6.036 66.049 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 79.681 5.161 67.273 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 66.492 89.639 35.995 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 65.806 89.291 36.565 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 66.812 90.417 36.453 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 55.413 55.304 23.524 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 55.987 55.392 24.285 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 55.941 54.832 22.880 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 40.332 85.994 57.283 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 40.867 85.252 57.002 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 39.993 86.368 56.469 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 74.711 88.358 11.453 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 75.193 88.177 10.647 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 74.629 87.506 11.881 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 65.917 95.411 35.920 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 66.739 95.104 35.537 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 65.295 95.399 35.193 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 46.252 37.772 35.376 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 47.017 37.246 35.144 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 45.786 37.896 34.549 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 23.461 93.066 9.339 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 23.562 93.595 8.548 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 22.522 93.091 9.526 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 27.084 18.054 0.722 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 27.631 18.779 0.421 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 27.624 17.599 1.369 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 26.184 41.972 30.218 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 27.135 41.946 30.112 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 25.839 41.753 29.352 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 25.446 59.298 23.100 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 25.335 59.495 24.030 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 26.315 59.638 22.884 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 24.756 33.445 31.727 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 23.939 32.947 31.688 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 24.476 34.357 31.806 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 33.659 86.897 48.071 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 34.321 86.220 48.211 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 32.962 86.454 47.586 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 20.570 70.321 12.229 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 20.935 69.906 11.448 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 19.935 69.687 12.563 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 54.815 72.105 44.506 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 55.335 71.997 43.710 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 54.561 73.028 44.504 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 42.795 11.104 -0.683 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 42.465 10.206 -0.665 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 43.371 11.163 0.080 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 28.174 90.134 58.234 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 28.383 89.883 59.134 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 27.633 90.918 58.323 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 29.661 94.377 18.062 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 29.213 93.805 17.438 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 30.165 93.781 18.615 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 57.064 72.235 5.134 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 57.847 71.842 5.520 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 56.413 72.209 5.835 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 76.080 26.952 52.024 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 76.173 27.390 52.870 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 76.942 26.572 51.854 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 88.687 81.836 54.989 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 89.064 82.716 54.987 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 87.814 81.950 55.365 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 47.041 9.482 17.763 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 47.603 9.732 17.030 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 46.683 10.310 18.084 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 24.020 28.258 60.120 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 23.635 28.945 60.664 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 24.617 27.794 60.706 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 40.935 18.649 -10.888 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 40.430 18.956 -11.641 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 41.205 17.762 -11.126 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 74.894 52.541 49.672 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 74.687 52.845 48.788 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 74.124 52.773 50.192 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 29.618 22.420 22.082 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 30.017 21.557 22.194 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 30.301 23.037 22.345 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 36.745 48.549 3.158 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 37.604 48.936 2.989 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 36.914 47.862 3.803 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 78.404 9.527 -5.587 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 78.216 8.907 -4.883 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 77.871 10.295 -5.380 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 50.368 1.407 -3.210 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 50.869 0.666 -2.870 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 49.778 1.021 -3.857 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 31.874 2.036 38.075 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 32.431 1.940 37.303 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 30.995 1.819 37.766 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 58.497 8.099 44.505 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 57.615 7.758 44.353 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 59.078 7.382 44.250 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 56.338 60.739 -15.048 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 55.941 61.103 -14.256 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 55.662 60.169 -15.415 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 45.573 95.597 4.674 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 46.239 96.239 4.918 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 46.019 94.752 4.738 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 78.928 5.298 3.696 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 78.118 5.160 3.204 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 79.188 6.194 3.483 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 89.882 34.225 44.525 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 89.461 33.811 43.772 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 90.771 33.870 44.528 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 21.222 26.811 4.108 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 21.992 26.437 4.538 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 20.902 27.472 4.723 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 65.364 91.090 10.045 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 65.298 90.860 10.972 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 64.924 90.373 9.587 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 42.919 94.428 -4.262 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 41.974 94.329 -4.147 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 43.289 93.615 -3.919 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 21.646 76.257 29.992 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 20.875 75.757 29.723 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 22.303 76.063 29.325 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 72.279 9.136 3.778 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 72.874 8.563 4.261 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 71.677 9.471 4.443 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 70.364 91.907 -14.413 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 70.779 91.176 -13.956 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 69.434 91.684 -14.427 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 56.598 33.169 55.091 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 56.696 33.459 54.184 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 55.749 32.728 55.112 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 48.532 24.797 66.957 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 49.000 25.343 67.588 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 47.616 24.845 67.231 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 54.587 4.413 25.785 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 53.668 4.179 25.658 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 54.723 4.343 26.730 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 31.102 45.703 66.122 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 31.494 45.786 66.992 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 30.159 45.765 66.277 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 41.702 13.362 30.396 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 41.569 12.414 30.423 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 41.491 13.658 31.282 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 57.789 84.997 26.701 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 57.439 84.290 26.159 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 58.615 84.654 27.041 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 75.464 -0.090 -1.115 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 74.543 -0.118 -1.371 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 75.727 0.819 -1.264 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 80.205 64.084 59.656 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 81.075 63.722 59.827 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 79.602 63.464 60.066 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 78.078 9.904 63.612 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 77.905 10.262 64.483 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 77.241 9.975 63.152 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 35.473 30.321 41.355 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 36.402 30.461 41.535 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 35.279 30.904 40.621 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 40.273 29.469 20.809 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 40.045 29.770 21.688 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 40.535 30.264 20.344 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 62.914 0.312 64.502 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 63.166 0.483 65.410 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 63.339 -0.518 64.287 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 51.087 95.098 27.059 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 51.398 95.999 27.139 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 50.494 95.115 26.307 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 65.610 16.227 3.574 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 66.362 16.803 3.437 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 64.987 16.761 4.069 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 33.000 3.662 1.627 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 33.811 3.414 1.184 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 33.181 3.523 2.556 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 31.875 4.090 48.087 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 31.318 4.680 47.578 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 32.716 4.543 48.142 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 62.203 80.401 45.527 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 61.442 80.311 44.952 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 61.955 79.940 46.328 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 48.335 85.420 -8.699 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 48.448 85.926 -7.894 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 47.957 84.590 -8.409 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 61.041 11.443 48.100 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 60.706 12.112 47.503 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 61.726 10.997 47.601 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 37.267 30.536 29.546 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 36.663 29.980 30.037 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 37.205 31.392 29.970 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 41.714 84.104 36.316 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 42.219 83.886 37.099 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 41.089 83.385 36.225 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 57.057 77.787 -10.678 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 57.892 77.786 -10.209 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 56.819 76.863 -10.747 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 40.560 60.823 40.721 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 41.491 60.978 40.880 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 40.536 60.021 40.198 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 80.930 69.584 -12.462 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 80.780 70.271 -11.812 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 80.259 68.927 -12.276 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 39.074 35.120 -2.053 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 38.564 35.862 -2.376 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 39.977 35.439 -2.034 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 38.616 87.417 55.161 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 37.819 87.365 55.689 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 38.449 86.840 54.416 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 70.672 2.739 1.737 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 71.101 3.491 2.145 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 70.779 2.882 0.797 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 33.174 92.111 -13.121 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 33.878 91.601 -13.522 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 32.553 91.455 -12.803 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 90.272 61.641 36.668 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 89.559 61.329 36.111 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 91.053 61.576 36.118 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 46.084 82.499 2.996 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 46.343 81.601 3.206 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 45.382 82.402 2.352 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 62.413 43.237 51.307 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 62.141 43.334 50.394 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 61.629 43.444 51.814 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 42.826 7.422 -9.529 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 41.928 7.609 -9.801 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 42.732 6.934 -8.710 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 58.978 90.475 27.591 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 58.293 90.813 27.014 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 59.624 90.093 26.997 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 35.796 52.543 10.866 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 36.040 52.885 11.727 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 36.621 52.244 10.484 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 61.407 89.196 32.673 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 60.513 88.889 32.521 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 61.460 89.321 33.621 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 88.342 32.792 58.459 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 88.881 33.581 58.514 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 88.954 32.072 58.605 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 45.347 93.700 56.300 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 45.703 93.661 57.187 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 44.949 92.841 56.163 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 49.148 95.643 41.273 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 49.916 95.445 40.737 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 48.845 96.493 40.954 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 50.470 83.188 62.621 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 51.101 82.506 62.853 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 50.460 83.772 63.379 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 83.018 60.245 64.838 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 82.106 59.961 64.902 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 83.516 59.550 65.266 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 86.421 13.317 0.100 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 87.163 12.735 -0.064 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 86.637 13.756 0.922 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 75.163 45.893 6.792 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 75.331 46.809 7.011 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 75.253 45.853 5.840 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 32.586 55.684 62.428 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 32.758 56.197 63.217 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 31.651 55.805 62.262 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 85.782 28.499 -8.159 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 85.320 28.255 -7.356 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 85.617 27.772 -8.760 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 71.096 17.266 -13.934 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 70.194 17.478 -14.175 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 71.624 17.938 -14.365 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 23.091 58.380 -15.731 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 23.104 59.209 -16.209 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 23.702 58.511 -15.006 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 30.771 53.727 -5.409 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 30.839 53.026 -6.058 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 30.818 53.278 -4.565 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 21.804 78.961 28.900 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 21.525 78.148 29.322 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 22.230 78.677 28.091 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 81.139 68.646 60.336 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 80.985 68.917 61.241 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 82.026 68.950 60.142 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 32.267 11.020 47.015 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 32.603 10.248 46.561 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 33.033 11.583 47.131 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 83.490 11.264 -16.321 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 83.518 12.174 -16.025 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 83.858 11.288 -17.205 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 80.793 8.496 -0.446 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 79.940 8.878 -0.655 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 81.426 9.161 -0.717 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 87.300 42.981 27.622 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 86.794 42.199 27.404 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 87.544 43.353 26.775 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 58.898 38.344 -13.887 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 59.338 39.142 -14.179 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 57.979 38.597 -13.796 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 30.898 3.821 16.041 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 30.379 4.025 16.819 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 31.790 4.076 16.275 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 33.141 92.081 25.336 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 34.079 92.159 25.513 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 33.010 91.154 25.140 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 52.620 37.372 58.013 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 53.123 37.673 58.770 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 52.670 36.417 58.056 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 81.060 74.079 57.196 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 81.329 73.207 56.907 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 81.466 74.675 56.567 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 44.531 5.347 1.583 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 44.152 5.691 2.392 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 43.961 4.617 1.341 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 56.694 73.898 0.047 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 57.621 73.694 0.174 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 56.343 73.983 0.933 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 51.366 27.483 64.658 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 51.465 28.118 65.368 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 51.229 28.017 63.876 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 87.389 22.837 43.258 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 87.111 22.173 42.626 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 87.516 22.352 44.074 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 20.456 12.746 -3.406 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 20.448 13.692 -3.260 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 20.856 12.640 -4.269 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 40.119 65.406 57.115 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 40.555 64.583 56.893 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 40.454 65.629 57.983 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 29.565 3.229 31.514 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 28.922 3.522 30.869 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 29.692 2.300 31.321 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 24.153 85.402 17.560 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 24.773 85.029 16.934 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 24.458 85.094 18.414 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 87.478 47.203 -8.027 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 86.537 47.288 -7.878 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 87.701 46.341 -7.676 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 33.278 83.758 14.992 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 32.639 83.761 14.280 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 33.244 84.646 15.349 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 30.048 83.148 63.069 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 29.375 83.295 62.405 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 30.208 84.014 63.444 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 67.789 28.880 21.526 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 68.680 29.115 21.784 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 67.464 28.342 22.249 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 70.659 92.606 34.754 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 71.567 92.376 34.950 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 70.312 91.842 34.293 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 60.176 24.955 5.578 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 59.396 25.079 6.118 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 60.738 25.700 5.794 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 39.604 18.666 64.716 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 39.118 18.457 65.514 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 39.207 18.113 64.042 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 32.323 36.464 41.868 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 32.071 37.328 42.193 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 32.824 36.645 41.072 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 65.967 81.640 53.996 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 65.889 81.567 53.045 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 66.660 82.287 54.130 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 48.517 33.930 17.251 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 48.451 34.527 17.996 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 48.329 33.066 17.617 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 49.034 35.590 19.348 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 48.862 36.528 19.269 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 49.783 35.532 19.942 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 54.102 12.438 54.573 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 53.863 12.862 53.748 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 54.139 11.505 54.361 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 32.363 71.389 52.610 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 33.149 70.844 52.574 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 31.792 71.032 51.930 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 62.634 20.419 8.892 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 62.255 19.812 8.257 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 62.110 20.297 9.684 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 32.129 46.879 -16.502 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 32.299 45.955 -16.687 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 32.134 46.938 -15.547 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 76.840 37.493 -7.521 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 76.819 36.598 -7.859 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 75.998 37.867 -7.781 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 33.858 21.021 -4.867 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 34.624 20.839 -4.323 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 34.134 20.793 -5.755 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 21.577 78.982 -15.354 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 21.730 79.352 -14.484 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 20.720 78.561 -15.289 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 51.101 81.183 25.558 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 51.689 80.453 25.752 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 51.676 81.874 25.229 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 52.254 26.622 22.602 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 52.731 27.405 22.327 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 51.477 26.958 23.049 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 48.498 43.262 53.646 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 48.093 43.757 54.359 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 49.395 43.108 53.941 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 45.619 45.350 8.447 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 45.535 46.105 9.029 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 46.528 45.067 8.550 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 64.216 52.984 61.101 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 63.398 53.474 61.180 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 64.554 52.936 61.996 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 22.698 94.606 51.947 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 23.104 93.952 52.516 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 23.112 94.473 51.095 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 48.085 42.468 63.679 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 49.038 42.455 63.771 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 47.908 41.897 62.931 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 36.337 21.840 54.101 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 36.130 22.463 54.798 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 36.204 22.333 53.291 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 67.328 35.319 32.221 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 66.748 34.839 32.812 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 66.749 35.924 31.756 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 81.484 52.017 -11.369 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 82.263 52.253 -11.872 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 80.815 51.843 -12.031 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 44.347 25.323 49.897 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 45.090 25.707 50.363 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 43.576 25.676 50.342 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 77.586 56.872 -17.456 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 77.948 56.184 -16.897 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 78.143 57.633 -17.291 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 66.326 29.191 9.787 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 66.240 28.587 9.049 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 65.445 29.542 9.913 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 43.451 32.784 5.470 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 43.332 31.951 5.926 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 44.101 33.253 5.994 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 28.803 51.669 61.427 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 29.293 51.040 61.957 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 28.721 52.441 61.986 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 73.918 15.348 -0.176 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 73.000 15.483 0.057 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 74.409 15.703 0.565 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 61.712 4.766 22.889 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 61.433 5.327 23.613 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 61.537 3.876 23.194 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 69.112 60.918 66.236 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 68.692 60.738 65.395 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 69.923 60.410 66.213 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 47.254 14.256 -0.138 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 48.120 14.663 -0.159 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 47.422 13.347 0.110 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 61.807 34.327 24.633 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 62.737 34.402 24.420 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 61.663 33.388 24.749 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 65.335 6.054 39.202 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 64.692 6.762 39.242 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 65.662 6.078 38.303 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 30.046 29.985 48.655 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 30.134 29.416 49.421 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 29.383 29.557 48.114 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 32.887 19.339 -2.487 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 33.630 19.928 -2.350 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 33.094 18.878 -3.299 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 52.042 84.363 -2.785 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 51.697 83.666 -2.227 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 52.489 83.902 -3.495 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 62.649 20.154 61.596 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 61.817 20.440 61.220 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 62.405 19.701 62.403 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 82.611 24.652 4.412 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 83.512 24.918 4.597 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 82.362 25.166 3.644 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 70.512 40.347 49.467 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 71.407 40.677 49.396 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 70.136 40.484 48.597 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 77.940 13.096 64.649 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 78.762 13.580 64.723 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 77.562 13.127 65.528 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 71.075 29.663 9.384 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 71.425 30.532 9.189 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 71.815 29.070 9.247 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 27.268 96.150 46.389 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 27.864 96.888 46.261 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 27.494 95.807 47.254 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 26.042 4.565 47.113 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 26.885 4.909 46.819 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 26.245 4.079 47.912 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 21.487 81.772 -6.479 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 21.588 80.893 -6.114 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 20.957 82.240 -5.834 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 39.562 75.844 54.416 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 39.986 76.676 54.628 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 40.186 75.395 53.846 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 55.452 52.319 48.286 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 55.877 53.108 47.950 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 56.040 52.005 48.974 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 48.955 62.273 66.812 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 49.021 62.465 65.877 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 48.022 62.362 67.010 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 81.008 87.203 21.862 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 81.027 88.010 22.376 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 81.180 86.509 22.499 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 80.429 23.220 -18.577 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 79.712 23.242 -19.211 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 79.997 23.259 -17.724 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 25.587 3.133 -10.086 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 25.291 3.899 -9.593 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 24.955 3.049 -10.800 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 83.328 43.283 -5.239 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 82.987 42.389 -5.242 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 82.653 43.799 -5.678 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 35.562 23.428 51.840 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 34.830 24.001 52.069 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 36.245 24.023 51.531 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 49.051 89.138 64.670 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 49.909 88.909 65.028 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 49.246 89.567 63.837 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 23.478 68.784 -12.226 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 23.457 67.829 -12.284 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 24.134 69.049 -12.872 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 83.834 48.728 23.429 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 83.695 49.118 22.566 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 83.085 49.020 23.948 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 54.785 23.510 20.183 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 54.117 24.064 20.588 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 55.007 23.959 19.367 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 59.691 26.592 16.411 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 59.941 25.842 16.950 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 58.786 26.777 16.661 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 47.698 7.999 8.240 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 46.763 7.862 8.393 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 47.780 8.939 8.078 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 46.794 39.296 59.557 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 46.713 40.201 59.256 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 47.733 39.113 59.515 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 21.399 55.868 36.475 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 21.828 55.372 37.173 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 20.762 55.257 36.104 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 46.662 28.160 44.389 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 45.881 28.503 43.954 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 47.322 28.116 43.698 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 83.902 78.631 18.604 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 83.173 79.206 18.838 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 83.529 78.017 17.972 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 33.849 3.079 -14.903 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 34.178 2.220 -15.170 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 33.697 2.996 -13.962 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 83.088 76.141 36.642 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 82.950 76.418 37.548 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 83.037 75.186 36.673 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 42.636 54.099 41.081 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 42.309 54.892 40.655 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 43.535 54.011 40.765 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 81.458 49.173 -3.641 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 80.710 49.252 -3.049 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 81.676 50.075 -3.874 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 47.651 50.228 7.175 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 48.090 50.114 8.018 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 47.536 51.175 7.091 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 84.506 19.928 -3.020 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 84.572 19.019 -3.311 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 83.913 20.339 -3.649 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 65.621 61.186 19.524 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 64.772 60.981 19.131 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 65.619 60.718 20.358 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 71.066 24.012 -10.356 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 71.865 23.611 -10.698 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 71.095 23.841 -9.415 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 42.831 54.230 10.354 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 43.401 53.551 9.992 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 43.348 54.630 11.053 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 71.626 23.757 4.104 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 71.748 24.016 3.191 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 71.731 24.569 4.600 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 39.250 20.727 -19.269 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 38.832 21.400 -18.733 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 38.522 20.223 -19.633 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 81.803 1.181 39.126 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 82.027 0.259 39.255 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 80.941 1.278 39.531 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 27.878 25.404 -18.974 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 28.468 26.103 -18.692 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 27.008 25.704 -18.712 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 81.515 36.944 31.278 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 80.607 36.863 31.572 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 81.959 36.187 31.660 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 56.837 7.271 27.501 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 56.252 7.203 26.746 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 57.643 7.647 27.147 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 60.758 18.399 -1.080 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 59.896 18.133 -1.400 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 61.056 17.660 -0.551 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 57.888 22.812 37.821 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 57.162 22.707 37.205 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 58.439 23.490 37.429 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 30.338 70.774 -3.525 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 31.035 71.011 -4.137 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 30.789 70.331 -2.807 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 58.672 7.968 61.074 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 57.727 7.936 60.925 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 58.984 8.659 60.489 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 42.383 22.552 -15.569 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 42.926 21.842 -15.228 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 41.840 22.139 -16.240 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 21.160 39.730 64.066 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 21.480 38.870 64.337 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 20.416 39.902 64.643 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 38.110 45.137 -16.224 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 38.033 44.530 -15.488 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 38.991 45.503 -16.142 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 25.983 30.570 11.278 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 26.647 30.449 11.957 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 25.306 31.102 11.697 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 73.929 47.087 -8.140 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 73.294 46.435 -8.435 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 73.667 47.289 -7.242 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 42.733 9.953 25.675 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 42.281 10.795 25.614 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 43.452 10.020 25.047 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 49.695 26.216 4.573 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 50.359 26.904 4.613 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 49.271 26.240 5.431 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 49.800 63.858 49.100 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 49.678 64.807 49.136 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 50.727 63.744 48.887 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 29.733 8.234 28.281 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 29.390 8.769 28.997 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 30.090 8.867 27.659 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 71.978 6.215 52.673 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 71.675 7.000 53.131 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 71.653 6.318 51.779 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 58.628 24.753 -4.804 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 58.928 23.863 -4.990 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 57.744 24.641 -4.454 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 52.611 57.771 49.160 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 53.006 58.470 49.681 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 52.234 57.174 49.806 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 66.511 53.232 60.093 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 66.321 53.735 59.301 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 65.664 53.147 60.532 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 68.959 24.612 1.110 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 68.497 25.186 1.722 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 69.078 25.145 0.324 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 54.421 26.891 -4.762 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 53.519 26.729 -4.484 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 54.512 27.843 -4.734 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 39.914 44.289 -2.731 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 40.674 44.817 -2.978 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 40.287 43.503 -2.332 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 42.442 71.393 -14.503 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 41.496 71.481 -14.618 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 42.670 72.068 -13.864 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 76.992 13.626 54.942 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 76.647 12.921 54.394 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 76.627 14.425 54.562 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 25.772 18.150 42.720 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 24.961 18.085 42.215 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 26.465 18.163 42.060 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 65.363 17.582 25.383 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 65.026 17.926 24.556 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 64.632 17.668 25.995 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 31.279 31.814 -10.196 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 31.790 32.482 -9.738 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 30.383 32.151 -10.189 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 90.259 5.789 -10.726 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 89.654 5.228 -10.242 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 91.128 5.513 -10.435 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 44.437 55.774 47.276 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 44.007 55.313 46.556 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 44.309 56.702 47.077 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 54.951 20.786 61.923 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 54.310 20.915 61.224 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 54.508 21.091 62.715 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 58.450 3.601 -9.250 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 58.782 3.921 -8.411 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 57.529 3.861 -9.258 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 55.993 37.149 -10.931 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 56.168 38.076 -10.768 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 55.729 37.113 -11.851 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 21.770 89.706 46.763 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 21.655 89.134 46.004 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 21.861 89.107 47.504 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 59.947 73.987 -11.476 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 60.396 74.710 -11.037 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 60.307 73.199 -11.070 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 61.394 30.158 47.529 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 61.483 29.619 48.315 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 60.472 30.074 47.284 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 86.778 14.766 2.442 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 86.676 14.762 3.394 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 87.588 15.252 2.290 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 49.223 43.150 24.528 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 48.473 43.727 24.668 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 49.604 43.447 23.701 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 54.188 41.870 39.836 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 53.837 42.526 39.235 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 54.381 41.114 39.281 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 39.394 45.953 45.109 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 38.909 46.591 45.633 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 40.162 45.741 45.639 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 75.120 37.984 17.385 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 74.595 38.083 16.590 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 75.569 37.145 17.272 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 83.932 31.407 1.889 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 84.481 31.779 2.578 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 83.040 31.472 2.231 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 21.198 86.557 36.636 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 21.717 85.834 36.989 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 20.290 86.265 36.722 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 50.775 38.804 38.525 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 50.263 38.302 37.891 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 51.289 39.410 37.991 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 82.078 61.968 -19.251 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 82.093 61.716 -20.174 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 82.868 61.573 -18.881 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 48.760 18.727 -2.070 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 49.089 19.618 -1.951 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 48.716 18.367 -1.184 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 60.915 93.612 15.017 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 61.025 92.761 15.441 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 61.807 93.922 14.865 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 82.971 36.070 6.311 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 83.043 36.908 5.854 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 82.097 36.083 6.701 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 52.688 8.560 66.506 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 53.180 7.977 65.928 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 53.128 8.486 67.352 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 34.036 32.144 8.404 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 34.941 31.883 8.236 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 33.518 31.625 7.788 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 46.479 34.239 55.243 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 46.824 34.998 54.772 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 46.880 34.292 56.110 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 77.151 51.625 46.962 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 76.279 51.248 47.078 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 77.573 51.059 46.316 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 68.723 68.453 52.438 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 69.652 68.657 52.330 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 68.301 69.306 52.541 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 45.939 5.771 49.392 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 46.219 4.861 49.291 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 44.994 5.717 49.535 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 65.249 69.931 -15.228 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 65.636 69.115 -15.546 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 64.681 70.221 -15.942 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 60.740 9.958 18.997 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 60.722 10.409 18.152 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 61.488 9.363 18.936 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 57.334 3.143 14.437 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 57.305 4.100 14.436 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 57.976 2.923 15.112 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 37.773 22.570 59.968 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 38.500 23.192 59.988 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 37.940 21.983 60.706 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 74.842 48.187 25.412 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 74.627 47.353 25.831 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 74.128 48.335 24.792 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 23.772 63.944 62.049 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 24.410 63.592 61.429 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 23.771 64.887 61.883 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 90.106 22.784 39.057 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 90.350 23.474 38.441 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 90.902 22.262 39.160 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 40.863 23.703 12.199 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 40.183 23.647 11.528 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 41.074 22.792 12.403 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 42.142 91.436 13.885 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 41.343 91.794 14.273 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 42.120 91.731 12.975 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 57.558 33.803 49.552 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 56.866 34.368 49.207 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 58.359 34.124 49.138 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 47.175 84.803 60.124 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 47.763 85.501 60.414 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 47.345 84.080 60.728 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 89.846 84.446 -13.122 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 90.612 85.008 -13.006 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 90.016 83.688 -12.563 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 62.770 49.597 6.445 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 62.428 48.989 7.099 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 63.065 50.354 6.952 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 38.508 9.014 13.913 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 38.152 9.477 14.672 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 38.573 9.684 13.232 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 22.051 38.459 11.431 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 21.195 38.080 11.631 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 21.852 39.310 11.040 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 66.004 57.982 28.290 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 65.670 58.494 29.027 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 66.096 58.617 27.580 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 68.390 74.453 -9.633 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 68.816 74.149 -8.832 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 67.509 74.081 -9.593 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 76.978 28.318 18.404 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 76.312 28.309 19.092 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 77.540 29.061 18.623 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 90.880 26.940 42.925 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 90.716 27.572 42.225 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 90.312 26.198 42.717 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 59.816 72.409 -8.309 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 60.654 72.116 -7.951 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 59.927 73.351 -8.438 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 76.235 39.205 37.412 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 76.550 38.476 36.878 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 76.482 39.988 36.919 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 38.878 49.762 36.093 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 39.483 50.368 35.665 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 38.795 50.096 36.986 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 46.492 19.799 -18.528 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 47.358 19.987 -18.890 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 46.044 19.312 -19.219 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 58.134 59.331 43.293 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 58.543 59.126 42.452 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 57.276 59.687 43.063 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 56.866 62.621 41.998 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 56.932 62.309 41.096 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 56.287 61.992 42.428 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 45.531 53.327 11.251 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 45.747 54.049 11.842 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 46.098 52.610 11.533 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 35.320 17.917 58.884 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 34.782 18.462 58.311 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 35.429 18.438 59.680 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 38.833 45.205 10.179 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 39.544 44.605 10.402 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 39.274 45.999 9.878 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 36.050 32.524 32.735 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 35.641 33.118 33.363 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 35.799 32.871 31.878 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 45.988 71.929 14.385 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 46.467 71.431 15.048 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 45.511 71.266 13.885 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 61.065 37.893 26.984 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 61.012 38.773 26.612 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 60.708 37.323 26.303 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 36.265 91.591 34.674 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 36.651 92.455 34.822 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 36.989 91.057 34.348 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 44.795 84.348 -18.172 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 44.341 84.976 -17.609 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 44.112 84.007 -18.750 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 33.771 23.235 1.128 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 34.040 22.917 1.990 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 33.411 24.106 1.294 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 55.810 45.307 22.774 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 55.049 45.653 23.241 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 55.686 45.593 21.869 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 55.522 34.799 -19.553 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 55.981 35.361 -20.178 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 55.572 35.273 -18.723 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 44.601 29.624 43.696 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 44.480 29.578 44.645 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 44.179 30.443 43.439 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 64.096 10.442 31.959 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 64.312 11.295 31.582 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 63.324 10.607 32.499 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 25.031 92.084 22.233 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 25.303 91.807 23.108 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 25.379 91.410 21.649 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 57.733 18.830 46.682 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 57.317 18.172 47.238 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 58.173 18.324 45.999 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 76.496 23.956 59.304 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 77.088 23.838 58.562 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 76.983 23.622 60.057 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 48.984 81.758 11.742 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 48.599 81.910 10.878 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 49.121 80.811 11.780 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 27.464 94.818 19.755 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 27.224 93.892 19.782 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 28.355 94.825 19.405 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 82.374 81.274 -2.955 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 82.816 82.110 -3.107 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 82.935 80.817 -2.329 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 75.330 12.669 -12.780 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 74.961 11.947 -13.289 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 74.945 12.570 -11.909 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 64.602 78.067 53.642 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 64.812 78.081 52.708 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 63.753 78.504 53.704 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 28.319 4.627 55.816 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 28.329 4.359 54.898 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 28.517 3.826 56.302 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 41.717 51.988 -6.009 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 41.654 51.350 -6.720 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 41.523 51.485 -5.218 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 29.246 90.881 45.374 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 29.820 91.530 44.968 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 29.570 90.040 45.053 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 27.188 78.907 52.505 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 28.099 78.652 52.653 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 26.735 78.084 52.323 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 88.220 56.166 51.118 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 88.591 55.855 50.292 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 88.961 56.177 51.724 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 83.409 85.294 52.184 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 83.136 85.710 51.366 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 84.146 85.824 52.488 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 87.475 3.852 58.738 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 88.051 4.588 58.943 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 87.530 3.282 59.506 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 38.686 66.414 18.145 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 39.551 66.694 18.446 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 38.770 65.469 18.022 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 78.622 68.348 -11.654 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 78.961 68.762 -10.860 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 78.176 67.560 -11.342 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 40.031 87.654 48.770 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 40.462 87.742 49.620 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 39.470 88.427 48.706 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 29.762 87.262 39.170 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 29.320 86.695 39.803 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 29.939 86.693 38.421 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 32.623 34.870 60.068 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 33.323 35.265 59.548 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 32.892 33.959 60.181 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 56.484 2.988 9.515 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 55.648 2.732 9.905 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 56.243 3.516 8.754 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 58.549 73.793 33.292 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 58.024 73.623 32.510 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 58.137 73.267 33.978 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 22.654 61.566 31.115 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 22.521 62.451 30.774 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 23.549 61.573 31.456 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 82.271 53.952 -15.305 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 82.665 53.334 -14.691 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 81.928 54.654 -14.752 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 41.723 52.622 43.678 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 42.121 53.201 43.028 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 42.261 52.735 44.461 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 82.003 91.095 -13.920 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 81.748 90.975 -14.834 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 81.646 90.330 -13.468 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 40.326 76.512 -17.349 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 40.374 75.721 -16.812 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 40.835 77.162 -16.865 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 35.756 79.893 -17.706 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 34.841 80.144 -17.579 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 36.197 80.708 -17.948 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 20.409 20.265 46.802 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 21.077 20.278 46.117 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 19.808 19.567 46.539 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 71.612 30.369 -15.288 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 71.069 29.585 -15.358 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 71.682 30.529 -14.347 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 60.637 24.129 44.459 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 59.853 23.929 43.948 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 61.250 24.497 43.823 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 65.141 78.903 58.614 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 64.939 79.656 59.170 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 64.727 79.108 57.775 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 29.976 42.199 -2.865 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 29.463 42.252 -3.671 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 29.337 42.322 -2.164 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 72.359 49.749 23.733 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 72.234 50.273 24.524 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 71.478 49.638 23.377 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 24.829 49.719 -5.047 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 24.935 50.111 -5.913 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 24.241 50.316 -4.584 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 47.371 94.488 -4.204 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 46.553 93.993 -4.251 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 48.025 93.845 -3.929 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 45.385 49.380 -0.922 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 45.800 49.986 -1.535 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 45.081 49.935 -0.204 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 43.018 56.041 43.898 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 43.866 56.426 43.679 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 42.741 55.598 43.097 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 35.838 5.630 53.034 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 36.635 5.782 53.541 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 35.424 6.491 52.975 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 61.281 18.567 53.006 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 60.862 19.411 52.836 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 61.316 18.140 52.150 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 62.010 75.961 15.509 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 62.376 75.223 15.022 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 61.579 75.559 16.264 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 24.235 94.175 -16.017 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 24.956 94.051 -15.399 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 23.487 93.744 -15.602 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 44.753 95.358 -6.325 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 45.048 94.483 -6.076 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 44.128 95.604 -5.643 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 49.266 12.998 14.467 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 49.901 12.592 13.878 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 49.712 13.776 14.803 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 54.862 73.826 64.178 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 54.996 73.131 63.534 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 53.974 73.682 64.504 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 25.067 26.660 21.069 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 24.682 27.455 20.700 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 24.471 26.410 21.774 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 81.754 91.945 9.083 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 82.247 92.667 8.694 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 81.145 91.673 8.397 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 20.920 96.001 20.886 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 20.495 96.645 21.452 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 20.204 95.614 20.382 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 42.703 72.842 -0.516 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 42.942 73.499 0.138 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 43.044 72.019 -0.165 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 35.352 82.110 25.807 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 36.061 81.784 26.361 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 35.724 82.123 24.925 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 53.475 26.836 57.400 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 54.207 27.164 56.877 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 53.286 25.973 57.032 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 86.775 33.197 -8.749 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 86.316 32.359 -8.697 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 87.490 33.119 -8.118 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 89.359 9.125 0.053 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 89.942 9.058 0.809 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 89.923 9.424 -0.660 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 41.798 87.591 5.539 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 40.994 87.639 5.022 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 41.516 87.257 6.391 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 29.772 88.473 -16.352 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 29.889 88.688 -17.277 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 28.873 88.149 -16.292 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 24.839 84.247 29.854 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 25.426 84.080 30.592 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 24.283 83.470 29.809 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 26.359 88.271 4.991 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 27.168 88.593 5.388 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 25.661 88.648 5.527 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 31.902 25.052 35.008 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 31.592 25.620 35.713 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 32.097 25.650 34.286 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 25.095 96.593 66.449 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 25.582 97.415 66.494 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 24.972 96.337 67.364 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 29.447 33.956 -14.158 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 29.899 34.372 -14.892 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 29.201 34.682 -13.585 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 86.128 72.701 55.237 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 86.476 73.494 54.829 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 86.895 72.266 55.609 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 69.598 15.275 43.754 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 70.171 14.893 43.089 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 68.714 15.042 43.471 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 82.454 11.943 63.510 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 82.721 11.111 63.121 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 81.648 12.176 63.049 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 55.722 86.372 42.346 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 55.696 87.108 42.958 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 55.213 85.685 42.776 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 42.223 36.331 13.763 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 42.944 35.720 13.614 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 42.042 36.265 14.700 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 42.709 76.924 4.091 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 43.474 76.451 4.417 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 41.994 76.290 4.145 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 88.108 31.107 40.120 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 87.889 30.202 40.342 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 88.872 31.308 40.661 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 56.927 68.463 6.423 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 56.606 69.173 6.978 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 56.685 67.664 6.892 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 29.270 12.175 36.532 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 28.772 12.489 35.777 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 30.140 11.982 36.181 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 66.395 2.912 33.812 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 67.230 2.726 33.384 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 65.813 2.211 33.517 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 53.659 62.234 14.279 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 53.402 61.715 15.041 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 54.481 61.840 13.987 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 81.819 10.975 40.738 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 82.097 10.745 41.625 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 82.305 11.774 40.534 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 54.450 71.598 56.181 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 53.891 70.825 56.258 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 53.991 72.276 56.677 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 75.231 21.970 7.364 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 75.755 21.492 6.721 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 75.405 21.525 8.193 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 72.793 43.548 -18.356 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 72.737 44.455 -18.655 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 72.970 43.615 -17.418 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 29.283 71.017 66.078 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 29.865 70.258 66.056 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 29.412 71.393 66.949 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 60.637 80.205 -10.535 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 61.553 80.245 -10.263 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 60.141 80.397 -9.739 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 43.287 2.796 26.723 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 42.584 2.237 26.391 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 43.541 3.333 25.972 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 80.440 60.520 31.453 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 80.384 59.723 30.926 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 80.506 61.227 30.811 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 47.273 24.538 5.745 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 47.977 24.286 6.342 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 46.509 24.052 6.054 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 36.229 72.321 0.399 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 35.759 73.087 0.729 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 36.032 71.628 1.028 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 37.727 85.008 23.793 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 37.902 84.122 24.111 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 38.075 85.016 22.901 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 31.854 3.537 -2.981 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 31.296 3.961 -3.632 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 31.832 4.125 -2.226 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 40.257 29.655 39.819 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 40.653 30.468 39.505 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 39.567 29.463 39.184 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 61.037 17.411 57.852 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 61.012 18.355 57.691 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 60.653 17.306 58.723 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 20.585 28.748 16.325 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 20.044 28.432 15.601 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 20.850 27.954 16.790 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 65.502 79.713 29.304 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 66.002 78.974 29.652 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 65.284 79.455 28.409 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 50.901 12.126 -15.669 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 50.290 12.840 -15.855 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 50.757 11.497 -16.376 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 45.532 41.743 -17.356 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 45.439 41.340 -16.493 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 45.856 42.625 -17.175 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 41.525 24.604 -5.946 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 41.782 24.702 -5.029 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 41.409 25.501 -6.260 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 48.259 93.155 36.754 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 47.733 93.629 36.110 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 49.157 93.227 36.430 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 61.214 5.870 9.431 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 61.176 6.793 9.182 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 60.323 5.658 9.708 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 74.611 94.040 11.473 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 74.762 94.222 10.545 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 75.381 93.542 11.748 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 35.709 82.883 23.283 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 35.598 81.948 23.111 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 36.601 83.076 22.993 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 43.638 80.789 37.366 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 44.559 80.820 37.108 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 43.175 80.529 36.570 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 53.782 80.850 -12.589 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 53.186 81.106 -13.293 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 53.522 79.956 -12.367 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 68.534 19.422 0.633 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 68.643 19.114 -0.266 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 68.542 20.377 0.562 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 49.662 21.105 60.051 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 50.452 21.646 60.038 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 48.945 21.723 59.915 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 80.700 9.415 -7.264 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 79.971 9.545 -6.656 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 81.411 9.081 -6.717 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 42.914 82.726 64.853 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 43.091 83.662 64.753 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 42.108 82.581 64.357 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 78.797 92.202 30.668 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 79.294 92.814 31.210 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 77.930 92.600 30.589 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 39.865 34.523 3.391 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 40.695 34.244 3.005 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 39.928 35.478 3.430 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 68.227 42.553 60.468 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 67.724 42.803 59.693 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 68.645 43.366 60.755 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 33.427 16.633 12.947 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 34.249 16.263 13.266 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 32.958 16.895 13.739 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 21.839 94.387 46.010 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 21.844 93.826 45.235 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 22.758 94.618 46.145 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 83.942 23.712 36.064 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 83.919 23.013 35.410 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 84.770 23.580 36.527 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 57.323 22.449 40.730 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 57.313 22.478 39.773 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 57.012 23.314 41.000 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 38.237 26.556 -7.816 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 37.896 27.449 -7.769 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 39.189 26.662 -7.824 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 81.921 28.945 61.586 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 81.192 28.449 61.961 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 81.519 29.749 61.258 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 36.017 94.285 32.508 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 36.771 93.711 32.644 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 36.384 95.074 32.109 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 51.500 32.648 -1.703 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 50.773 32.275 -1.204 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 52.175 31.970 -1.687 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 32.049 33.929 29.916 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 31.208 33.945 29.459 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 32.456 34.768 29.700 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 37.125 86.290 39.400 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 37.279 87.157 39.776 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 36.902 86.462 38.485 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 28.870 31.630 45.468 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 28.138 32.208 45.249 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 29.503 32.200 45.904 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 37.069 55.771 -12.349 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 37.305 55.517 -13.242 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 37.887 55.705 -11.857 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 75.235 90.558 51.563 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 75.860 89.900 51.868 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 75.366 91.303 52.149 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 74.410 57.849 17.490 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 73.909 57.068 17.253 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 74.709 57.680 18.383 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 48.350 10.274 26.094 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 47.888 11.058 26.390 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 48.273 10.295 25.140 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 36.981 72.921 -2.216 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 37.928 73.042 -2.142 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 36.672 72.888 -1.311 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 52.650 53.654 -17.360 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 52.946 53.161 -16.595 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 52.929 53.126 -18.108 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 29.403 5.230 5.207 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 29.493 5.067 6.146 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 29.039 4.417 4.856 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 51.873 40.511 36.795 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 52.170 41.416 36.881 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 51.802 40.370 35.851 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 56.326 6.531 43.367 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 55.829 6.979 44.053 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 55.830 6.696 42.565 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 70.956 23.110 -7.841 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 70.233 23.040 -7.217 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 71.280 22.215 -7.935 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 43.404 86.801 34.072 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 42.947 87.230 34.796 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 43.334 85.866 34.264 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 61.073 4.470 20.025 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 61.557 5.159 19.571 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 61.247 4.626 20.953 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 67.293 71.304 18.835 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 67.485 71.292 17.897 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 66.890 70.453 19.008 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 54.109 88.604 63.348 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 54.775 87.918 63.391 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 53.280 88.130 63.284 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 34.893 21.139 -1.333 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 35.575 20.482 -1.191 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 35.267 21.951 -0.990 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 78.155 30.689 8.426 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 78.720 29.931 8.574 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 77.272 30.323 8.369 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 28.367 88.514 -10.188 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 28.375 89.451 -9.996 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 29.197 88.354 -10.638 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 30.189 35.162 0.270 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 30.100 35.262 -0.678 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 31.134 35.137 0.422 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 66.249 48.683 11.974 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 65.675 48.048 12.402 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 65.806 49.524 12.092 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 27.352 76.354 6.620 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 28.208 75.986 6.840 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 27.334 77.202 7.063 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 82.622 32.081 44.582 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 82.635 31.304 44.024 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 82.904 31.764 45.441 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 84.011 41.489 30.499 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 83.575 41.713 29.677 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 83.758 40.581 30.666 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 21.349 29.689 47.667 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 20.784 30.409 47.389 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 21.467 29.157 46.880 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 77.869 76.436 61.909 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 77.645 75.584 61.534 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 78.107 76.975 61.154 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 61.643 16.047 39.115 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 61.366 15.956 38.204 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 62.443 15.524 39.176 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 63.522 0.915 -11.257 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 63.837 0.016 -11.164 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 63.439 1.044 -12.201 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 50.472 3.766 -1.673 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 49.853 3.543 -0.978 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 50.512 2.982 -2.220 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 81.779 39.263 61.519 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 81.932 40.089 61.059 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 81.631 39.519 62.429 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 54.624 76.470 32.835 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 55.293 75.944 32.397 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 53.827 75.943 32.774 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 54.100 7.194 26.562 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 53.826 6.803 25.733 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 53.677 6.658 27.233 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 40.614 15.528 18.919 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 41.542 15.346 19.064 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 40.584 16.458 18.694 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 67.350 36.404 3.871 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 67.153 35.828 4.610 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 68.062 36.961 4.185 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 51.926 1.466 0.655 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 51.313 2.112 1.006 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 52.104 0.880 1.391 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 37.889 84.188 6.163 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 38.080 83.769 7.002 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 37.049 83.815 5.894 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 68.411 32.506 21.050 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 68.662 32.723 20.152 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 67.615 31.983 20.957 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 61.520 8.922 4.206 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 62.389 8.839 4.598 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 61.530 8.310 3.470 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 38.505 55.936 55.855 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 39.100 55.225 55.614 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 37.747 55.819 55.283 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 84.704 93.218 21.146 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 84.575 94.039 20.672 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 83.951 93.160 21.734 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 36.615 86.555 7.976 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 37.097 85.970 8.561 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 35.702 86.472 8.252 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 37.622 19.262 54.025 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 37.421 20.101 54.439 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 37.824 19.485 53.116 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 75.053 30.533 -5.589 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 74.497 31.252 -5.289 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 75.856 30.621 -5.075 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 80.204 28.615 2.565 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 79.321 28.574 2.198 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 80.285 27.817 3.087 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 40.058 59.591 52.463 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 40.943 59.954 52.463 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 40.173 58.677 52.204 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 56.206 89.569 22.620 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 55.741 88.974 22.032 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 56.406 90.333 22.079 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 32.545 17.933 64.971 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 31.698 17.519 65.140 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 32.346 18.643 64.360 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 33.556 5.801 42.883 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 33.758 6.727 43.013 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 33.692 5.654 41.947 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 58.184 13.246 27.689 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 57.594 13.198 26.937 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 58.674 14.058 27.558 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 84.923 26.312 -16.446 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 84.994 27.179 -16.846 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 84.722 25.726 -17.176 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 62.434 10.553 13.568 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 63.139 10.426 12.933 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 62.686 10.012 14.317 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 25.307 6.680 12.007 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 26.012 7.028 12.553 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 25.231 5.762 12.270 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 40.619 31.979 -17.095 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 41.421 32.317 -16.697 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 40.701 31.028 -17.031 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 81.383 24.742 11.380 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 81.105 24.816 12.293 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 81.473 23.801 11.231 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 63.502 30.798 -2.312 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 63.273 30.313 -1.519 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 63.498 31.716 -2.042 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 74.236 91.959 23.859 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 73.391 91.524 23.744 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 74.018 92.887 23.943 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 55.435 18.663 9.398 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 55.150 19.360 8.807 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 56.258 18.352 9.021 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 23.476 34.191 -18.663 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 23.987 34.222 -17.854 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 22.566 34.152 -18.371 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 23.062 0.230 42.787 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 22.914 -0.601 42.336 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 23.975 0.446 42.598 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 67.688 43.606 53.506 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 67.795 44.557 53.502 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 66.857 43.459 53.957 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 26.202 64.408 -9.228 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 26.676 64.989 -8.634 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 26.854 63.766 -9.508 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 36.684 44.154 -1.756 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 37.450 43.604 -1.596 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 36.443 44.488 -0.892 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 22.233 7.564 -1.385 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 22.448 6.631 -1.419 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 22.081 7.809 -2.297 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 79.501 53.745 61.946 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 78.907 54.257 61.397 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 79.229 53.943 62.843 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 86.901 3.635 11.260 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 86.332 4.367 11.021 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 86.779 3.534 12.204 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 57.517 35.091 10.452 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 56.597 34.989 10.208 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 57.498 35.626 11.245 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 37.123 20.052 -12.723 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 36.613 19.385 -12.264 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 36.802 20.883 -12.373 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 24.883 54.160 21.363 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 25.155 53.463 20.766 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 24.960 54.962 20.847 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 41.287 11.540 39.587 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 42.002 10.921 39.435 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 40.899 11.676 38.722 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 87.105 86.213 14.456 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 86.672 87.023 14.187 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 87.511 86.425 15.296 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 48.941 33.785 66.709 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 49.699 33.490 66.205 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 49.074 34.728 66.811 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 48.350 23.893 0.922 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 47.710 24.602 0.873 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 48.788 24.022 1.763 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 48.290 7.149 49.231 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 48.319 7.593 48.383 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 47.544 6.553 49.164 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 54.640 33.125 38.379 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 55.565 32.880 38.422 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 54.523 33.465 37.492 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 56.115 43.435 42.126 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 56.058 44.328 41.785 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 55.365 42.983 41.741 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 89.179 54.066 17.649 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 88.547 53.718 18.279 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 89.779 53.339 17.483 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 51.229 0.161 -10.719 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 51.454 1.050 -10.446 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 51.612 -0.401 -10.045 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 72.365 8.801 56.837 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 72.927 9.334 56.276 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 72.678 8.975 57.725 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 47.317 59.446 54.015 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 47.855 58.842 53.503 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 47.161 60.185 53.427 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 39.648 53.606 54.851 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 39.858 53.325 53.960 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 39.915 52.871 55.403 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 74.926 61.174 31.408 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 75.594 61.114 30.725 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 74.135 60.820 31.002 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 40.904 13.867 8.104 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 40.715 12.952 7.897 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 40.869 14.317 7.260 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 76.027 94.307 26.849 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 75.601 95.156 26.734 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 75.537 93.887 27.556 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 82.791 63.259 56.377 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 83.017 62.356 56.156 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 83.111 63.775 55.637 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 42.911 48.159 37.797 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 42.616 48.040 36.894 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 43.313 47.323 38.031 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 40.583 0.857 3.644 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 40.686 1.533 4.314 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 40.097 0.158 4.081 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 69.813 53.645 18.891 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 70.156 53.592 17.999 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 68.869 53.526 18.794 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 26.434 73.720 22.011 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 26.035 72.877 22.228 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 26.817 73.588 21.144 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 72.727 44.562 -8.845 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 73.295 44.493 -8.078 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 72.097 43.849 -8.743 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 79.141 58.995 -16.532 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 78.551 59.613 -16.099 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 79.519 58.482 -15.818 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 56.733 14.633 -18.776 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 56.064 13.950 -18.815 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 57.484 14.261 -19.238 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 89.624 18.071 45.456 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 88.701 18.286 45.324 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 89.749 17.250 44.980 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 62.686 95.667 29.146 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 63.549 95.780 29.545 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 62.101 95.493 29.883 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 29.948 43.450 24.317 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 30.579 43.582 25.024 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 29.758 44.331 23.997 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 43.918 65.016 -9.738 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 43.267 64.672 -9.127 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 44.733 64.577 -9.494 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 61.620 82.354 16.222 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 62.393 82.831 15.920 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 61.513 81.646 15.587 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 81.933 65.663 26.234 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 82.167 65.880 25.332 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 82.713 65.235 26.588 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 30.389 13.765 11.399 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 30.419 14.438 12.080 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 31.291 13.701 11.086 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 34.393 75.057 45.280 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 34.064 74.243 44.899 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 34.147 75.734 44.649 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 71.876 45.986 4.241 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 72.281 45.141 4.437 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 71.144 46.050 4.855 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 24.578 37.889 10.702 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 24.955 37.968 11.579 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 23.671 37.624 10.854 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 60.578 94.372 -12.757 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 60.234 93.487 -12.875 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 61.064 94.550 -13.563 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 69.473 20.343 9.074 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 69.027 21.023 9.578 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 68.784 19.716 8.854 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 44.156 51.071 -3.352 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 44.450 51.853 -2.885 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 43.232 50.984 -3.116 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 51.325 27.515 35.749 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 51.679 27.184 34.924 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 50.509 27.952 35.502 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 57.591 54.317 61.952 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 58.285 54.951 61.775 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 57.045 54.332 61.166 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 44.919 9.587 31.443 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 45.606 9.004 31.119 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 45.195 10.460 31.166 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 50.586 45.761 1.706 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 51.181 45.165 2.162 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 51.096 46.562 1.583 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 30.262 28.689 42.942 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 30.663 29.236 43.617 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 30.618 27.814 43.098 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 50.582 94.246 21.938 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 49.839 93.662 22.087 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 50.249 94.909 21.333 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 36.796 12.351 9.216 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 37.007 13.280 9.304 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 37.007 11.975 10.071 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 24.465 52.143 -6.543 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 25.145 52.644 -6.994 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 23.643 52.539 -6.832 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 63.885 95.970 -13.115 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 64.378 95.239 -12.744 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 63.532 95.630 -13.937 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 70.920 11.376 42.314 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 70.914 10.420 42.266 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 70.759 11.572 43.237 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 78.593 33.521 49.153 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 79.332 34.124 49.070 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 78.014 33.750 48.426 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 61.924 21.738 13.158 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 62.031 20.889 12.729 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 61.852 22.364 12.437 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 26.082 28.647 -16.545 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 26.611 29.426 -16.370 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 25.198 28.985 -16.689 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 23.780 19.032 -19.387 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 24.659 18.896 -19.034 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 23.580 19.946 -19.188 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 36.321 36.029 14.692 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 36.017 36.530 13.936 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 36.245 36.636 15.429 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 52.721 45.185 42.898 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 52.149 45.269 42.135 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 52.335 44.475 43.410 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 57.868 59.037 -17.055 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 57.102 59.502 -16.717 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 57.579 58.129 -17.141 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 27.611 36.284 21.933 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 28.534 36.505 22.056 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 27.201 37.105 21.660 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 29.316 84.180 16.212 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 29.890 83.729 16.831 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 29.901 84.486 15.519 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 27.622 76.443 30.309 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 27.202 76.515 29.452 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 28.480 76.852 30.192 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 38.238 55.589 67.633 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 37.878 55.491 66.752 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 38.828 56.340 67.569 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 42.139 21.798 46.950 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 41.996 20.927 46.582 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 42.745 22.220 46.342 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 56.435 42.950 -9.544 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 55.558 43.226 -9.278 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 56.765 43.678 -10.072 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 71.644 36.418 16.628 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 71.018 35.798 16.255 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 71.133 37.214 16.778 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 34.937 51.037 50.258 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 35.450 50.588 50.930 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 34.768 51.905 50.624 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 21.078 60.909 28.798 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 21.571 61.133 29.588 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 20.480 61.645 28.671 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 24.243 0.961 53.111 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 24.621 0.219 52.639 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 23.340 1.009 52.799 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 29.742 49.159 -10.375 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 29.021 48.915 -10.956 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 29.321 49.349 -9.537 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 66.456 64.685 49.818 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 65.695 64.268 49.415 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 66.754 65.322 49.169 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 61.955 36.242 16.757 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 61.261 35.608 16.579 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 61.503 37.084 16.813 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 87.303 3.472 64.636 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 86.553 3.968 64.965 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 88.067 3.973 64.921 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 79.801 60.550 65.836 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 79.234 60.443 66.600 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 80.084 59.662 65.621 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 54.333 40.518 10.801 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 53.468 40.899 10.650 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 54.833 41.216 11.222 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 73.524 47.329 16.678 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 72.723 47.835 16.810 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 73.493 46.650 17.352 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 65.054 46.956 23.159 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 64.635 47.693 23.602 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 64.553 46.845 22.351 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 31.143 74.746 16.204 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 32.098 74.777 16.261 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 30.937 75.189 15.380 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 67.539 23.476 43.024 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 67.646 24.284 43.527 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 68.432 23.174 42.862 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 80.349 4.079 40.679 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 80.793 3.991 39.836 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 80.281 5.023 40.817 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 78.518 53.794 64.740 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 77.934 54.136 65.417 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 77.932 53.389 64.100 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 75.015 42.941 63.562 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 75.019 42.210 64.181 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 75.572 42.648 62.841 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 47.084 2.888 29.314 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 47.401 2.463 30.112 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 46.507 2.240 28.911 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 67.376 76.137 21.058 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 67.247 75.193 21.148 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 67.658 76.255 20.151 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 32.695 69.524 1.600 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 31.886 69.084 1.859 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 33.333 68.817 1.501 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 35.977 4.830 65.457 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 36.746 4.987 66.003 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 35.234 4.931 66.053 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 83.265 3.470 38.458 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 82.936 2.575 38.546 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 83.921 3.554 39.149 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 41.716 22.825 -2.426 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 42.626 23.041 -2.221 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 41.501 22.103 -1.835 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 31.191 57.506 21.549 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 31.632 57.367 20.711 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 31.875 57.843 22.127 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 39.929 59.733 48.475 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 40.311 60.250 49.184 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 40.123 60.233 47.682 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 42.527 6.222 27.816 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 42.669 5.792 28.659 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 41.635 5.979 27.569 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 57.640 39.295 35.036 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 56.836 38.783 35.132 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 58.340 38.642 35.032 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 34.382 46.148 64.110 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 34.868 46.941 63.882 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 34.078 46.302 65.005 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 44.929 75.339 4.453 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 45.111 74.497 4.035 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 45.518 75.365 5.207 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 68.197 82.373 20.395 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 67.405 81.953 20.061 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 68.063 82.420 21.342 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 42.187 9.110 59.108 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 41.978 9.926 59.562 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 43.134 9.015 59.210 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 61.999 58.311 26.391 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 61.374 58.528 25.700 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 61.512 57.739 26.984 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 51.617 38.960 26.732 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 51.249 38.619 25.917 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 51.854 38.179 27.233 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 37.776 27.635 56.667 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 38.223 27.074 56.033 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 38.417 27.767 57.365 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 60.562 26.238 27.348 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 59.985 26.738 27.926 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 60.197 26.368 26.473 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 25.426 39.143 25.070 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 26.198 38.693 25.413 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 25.753 39.993 24.777 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 54.227 33.668 15.332 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 54.320 32.737 15.534 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 53.578 33.986 15.960 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 63.872 38.045 -13.791 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 63.649 37.365 -14.428 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 63.572 37.695 -12.952 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 66.371 2.842 37.451 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 66.392 1.999 36.998 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 67.226 2.909 37.876 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 29.608 36.145 33.485 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 30.431 35.701 33.280 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 29.790 37.071 33.331 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 52.704 46.705 59.171 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 52.792 47.357 58.475 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 53.589 46.612 59.525 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 67.929 58.906 31.689 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 68.020 58.018 31.341 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 67.242 58.835 32.352 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 59.231 41.684 35.686 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 59.973 41.883 35.115 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 59.541 41.898 36.566 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 47.928 78.640 53.173 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 48.219 79.318 53.784 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 48.738 78.266 52.826 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 69.564 66.613 -9.186 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 70.497 66.749 -9.016 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 69.528 65.797 -9.685 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 26.935 30.571 33.909 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 26.012 30.813 33.982 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 27.017 29.777 34.439 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 69.021 22.221 17.947 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 68.776 21.547 18.581 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 68.221 22.732 17.819 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 77.320 92.070 66.616 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 76.839 92.721 66.104 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 78.010 92.569 67.051 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 73.517 68.465 35.834 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 73.711 67.980 35.032 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 74.332 68.433 36.336 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 32.333 64.138 19.972 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 33.178 64.126 20.421 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 32.555 64.162 19.041 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 59.664 49.436 34.169 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 59.426 48.975 33.365 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 59.805 50.342 33.894 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 79.673 55.291 58.071 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 80.167 55.804 58.711 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 79.870 55.702 57.230 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 45.983 49.126 3.823 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 45.797 48.341 4.337 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 46.927 49.092 3.666 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 29.368 48.724 -14.342 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 28.867 48.486 -13.562 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 29.212 48.007 -14.956 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 52.414 26.849 1.520 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 52.398 26.250 2.266 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 53.082 27.496 1.746 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 28.568 32.298 23.683 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 28.144 32.290 22.824 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 28.836 33.209 23.809 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 42.846 31.907 42.340 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 41.890 31.937 42.297 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 43.135 32.536 41.678 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 45.447 61.139 50.664 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 45.274 61.349 49.746 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 45.431 60.183 50.699 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 33.819 47.488 24.912 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 33.620 48.280 24.412 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 34.458 47.020 24.375 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 52.903 40.420 47.327 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 53.090 41.313 47.036 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 52.340 40.059 46.642 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 90.950 24.672 -5.043 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 90.947 23.931 -5.650 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 90.024 24.864 -4.896 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 87.513 17.339 63.208 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 86.645 17.346 62.803 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 87.991 16.656 62.739 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 27.371 22.547 42.162 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 26.906 22.862 42.937 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 27.096 23.138 41.461 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 82.340 43.445 43.372 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 82.000 44.323 43.201 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 81.575 42.940 43.648 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 72.867 27.843 37.188 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 72.726 28.489 36.496 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 73.057 27.029 36.721 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 64.753 66.011 65.290 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 64.849 66.481 64.461 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 63.874 66.239 65.594 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 25.615 18.437 -9.523 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 26.034 18.743 -8.719 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 26.270 17.875 -9.937 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 24.879 89.409 52.224 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 25.505 89.981 52.668 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 24.577 88.809 52.905 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 80.346 80.783 61.885 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 80.394 80.008 62.446 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 80.117 80.440 61.022 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 33.639 41.911 18.485 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 34.042 41.371 17.805 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 34.322 42.013 19.147 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 88.792 75.417 43.062 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 89.195 76.276 42.936 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 88.415 75.202 42.209 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 26.474 1.393 14.812 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 27.262 1.905 14.992 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 25.856 2.025 14.446 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 73.077 60.419 61.956 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 72.704 61.280 62.142 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 73.435 60.499 61.072 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 52.029 33.418 17.479 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 52.848 33.375 17.973 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 51.344 33.312 18.140 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 65.569 84.080 35.536 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 65.051 84.199 34.740 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 65.212 83.288 35.938 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 50.156 88.346 36.653 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 49.503 88.039 37.282 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 50.976 88.360 37.146 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 75.997 47.267 46.370 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 75.433 46.746 46.941 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 75.866 48.169 46.661 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 40.765 86.690 35.710 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 41.109 85.806 35.839 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 39.936 86.561 35.248 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 27.855 31.150 -8.200 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 27.117 30.789 -8.691 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 27.654 30.952 -7.285 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 86.561 27.578 37.212 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 85.674 27.276 37.412 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 86.578 27.655 36.258 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 34.588 1.837 8.015 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 34.178 2.701 8.052 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 34.562 1.599 7.088 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 60.877 25.596 -7.305 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 60.715 24.656 -7.378 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 60.045 26.002 -7.550 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 77.170 58.465 24.170 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 76.529 58.486 23.459 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 77.675 57.666 24.014 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 54.522 95.140 0.923 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 54.832 94.255 0.732 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 54.006 95.045 1.724 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 54.596 50.625 18.284 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 55.283 50.232 18.822 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 53.797 50.520 18.801 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 44.590 48.728 -10.017 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 45.392 49.087 -10.397 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 44.525 49.145 -9.157 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 26.901 1.649 22.311 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 27.668 1.092 22.443 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 26.558 1.387 21.456 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 66.428 74.412 29.951 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 66.527 75.258 30.388 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 65.526 74.150 30.135 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 81.110 15.620 56.012 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 80.507 16.337 55.814 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 80.708 14.850 55.611 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 59.723 17.225 13.464 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 59.728 16.500 12.839 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 60.367 16.975 14.127 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 85.368 29.106 10.627 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 84.552 29.212 10.138 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 86.024 29.562 10.099 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 34.246 89.194 41.435 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 33.481 89.753 41.572 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 34.680 89.170 42.288 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 52.403 3.234 -9.349 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 53.045 3.381 -8.654 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 52.892 2.778 -10.034 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 76.963 33.969 26.100 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 77.515 34.747 26.177 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 76.646 33.988 25.197 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 88.259 90.483 39.722 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 88.856 89.910 39.240 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 88.018 91.162 39.092 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 20.823 41.799 30.447 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 21.760 41.654 30.581 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 20.514 42.155 31.280 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 62.431 14.854 43.941 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 63.168 14.477 43.459 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 62.228 15.664 43.474 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 31.543 42.279 -16.362 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 31.893 41.916 -15.549 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 30.767 42.770 -16.092 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 24.959 32.258 1.860 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 24.723 31.958 2.738 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 25.331 33.129 1.995 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 48.175 80.155 17.861 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 48.333 79.901 18.770 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 47.330 80.604 17.880 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 84.953 9.303 45.346 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 84.696 9.735 46.160 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 84.233 8.702 45.155 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 40.168 2.912 -18.209 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 39.861 2.010 -18.300 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 41.123 2.840 -18.192 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 88.586 80.006 -5.519 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 87.982 79.654 -4.865 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 88.621 80.944 -5.334 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 43.319 38.449 46.696 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 44.014 39.004 47.048 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 43.502 38.401 45.758 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 83.838 50.557 3.635 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 83.636 51.488 3.548 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 83.776 50.213 2.744 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 34.333 43.394 59.561 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 34.155 44.290 59.274 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 34.058 43.376 60.477 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 79.899 11.687 62.477 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 79.625 10.934 62.999 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 79.099 11.982 62.042 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 60.567 94.986 12.117 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 60.222 94.464 12.841 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 59.889 94.940 11.444 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 52.900 89.280 -11.249 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 53.299 89.001 -10.425 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 53.066 88.557 -11.853 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 37.953 12.451 1.492 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 37.825 11.538 1.751 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 37.769 12.953 2.286 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 77.281 7.551 36.347 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 77.367 7.055 35.533 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 76.563 8.163 36.180 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 61.570 66.297 -17.067 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 61.252 65.405 -17.204 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 62.374 66.190 -16.558 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 38.970 71.177 13.794 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 39.539 71.798 14.249 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 39.418 71.005 12.966 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 45.502 5.402 37.376 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 45.003 5.806 36.666 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 45.758 4.546 37.032 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 46.879 17.333 -12.505 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 47.774 17.662 -12.590 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 46.892 16.485 -12.948 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 48.093 13.590 -10.760 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 48.596 14.319 -10.397 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 48.299 12.849 -10.190 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 44.556 81.178 47.460 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 44.070 81.797 46.916 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 43.995 80.403 47.502 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 55.725 88.317 3.629 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 54.819 88.600 3.759 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 55.845 87.602 4.254 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 47.681 84.232 50.939 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 46.890 83.694 50.964 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 48.309 83.760 51.486 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 84.030 47.784 64.876 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 84.264 48.513 65.451 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 84.381 48.031 64.021 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 31.380 32.265 19.070 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 32.289 32.545 18.963 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 31.343 31.405 18.652 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 52.904 34.762 58.726 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 51.984 34.697 58.983 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 53.229 33.862 58.766 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 56.954 82.058 -7.005 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 56.196 81.502 -6.825 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 56.663 82.941 -6.779 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 45.035 41.901 61.466 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 44.842 41.874 60.529 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 44.610 42.701 61.776 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 74.939 23.705 -4.808 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 74.005 23.786 -4.613 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 75.227 22.950 -4.294 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 66.609 28.301 17.573 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 66.194 27.545 17.157 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 66.011 29.028 17.401 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 87.763 23.614 -3.715 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 88.183 24.373 -4.120 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 88.363 23.352 -3.017 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 56.341 15.497 21.345 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 56.476 15.246 20.431 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 55.532 16.008 21.336 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 49.831 7.196 19.512 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 49.789 6.425 18.947 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 50.216 7.877 18.959 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 74.203 6.759 5.757 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 74.049 6.116 6.450 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 75.096 7.068 5.911 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 77.505 32.557 58.094 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 78.190 32.020 57.696 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 77.821 33.456 58.003 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 55.526 59.811 -3.443 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 55.117 60.637 -3.184 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 55.806 59.413 -2.619 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 28.107 18.569 18.518 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 28.657 17.829 18.779 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 27.789 18.934 19.344 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 30.358 28.158 20.982 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 30.387 28.027 21.930 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 29.510 27.800 20.717 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 88.838 82.200 34.242 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 89.078 82.244 33.317 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 89.398 81.512 34.602 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 74.580 27.335 22.766 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 74.650 28.285 22.865 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 74.361 27.206 21.843 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 69.886 13.741 -2.294 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 69.004 13.652 -2.656 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 69.778 14.323 -1.541 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 59.729 15.427 27.230 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 58.871 15.670 26.880 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 60.346 15.659 26.535 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 79.042 47.537 28.128 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 79.716 47.156 27.565 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 78.809 46.833 28.733 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 25.006 5.912 -18.580 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 25.231 5.477 -17.757 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 24.336 5.352 -18.971 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 34.082 27.636 8.166 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 34.834 27.852 8.718 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 34.225 28.133 7.361 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 68.859 36.790 33.979 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 68.938 37.686 33.652 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 68.568 36.283 33.221 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 23.065 4.482 -3.562 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 22.560 4.509 -2.749 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 23.958 4.703 -3.298 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 50.833 4.416 -7.220 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 51.114 3.932 -7.996 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 50.884 5.336 -7.480 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 85.540 88.330 52.343 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 86.340 87.817 52.458 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 85.378 88.719 53.202 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 41.263 14.255 21.971 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 41.277 15.196 21.800 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 41.906 13.891 21.362 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 88.738 5.320 35.136 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 87.902 5.787 35.150 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 89.399 6.012 35.129 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 53.678 96.691 32.019 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 54.220 96.003 32.404 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 53.699 96.515 31.078 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 30.532 6.902 56.057 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 29.706 6.437 56.188 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 30.945 6.456 55.318 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 65.652 76.381 61.892 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 65.066 76.012 61.232 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 65.867 77.253 61.561 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 47.336 8.697 55.395 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 47.420 7.910 54.857 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 46.615 9.185 54.997 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 44.891 31.479 46.040 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 44.604 32.365 45.820 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 45.490 31.597 46.778 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 70.146 64.543 -11.306 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 69.588 65.128 -11.819 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 69.956 63.670 -11.648 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 67.048 77.351 47.652 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 67.753 76.730 47.469 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 66.304 76.803 47.902 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 48.984 30.683 55.793 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 49.605 30.913 55.102 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 49.452 30.868 56.608 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 59.331 5.740 -10.936 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 60.207 5.968 -10.624 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 58.985 5.148 -10.268 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 74.767 7.255 44.803 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 75.415 7.617 44.199 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 75.157 6.437 45.112 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 32.428 46.394 54.394 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 32.792 46.894 55.125 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 33.156 46.301 53.780 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 28.038 29.079 41.570 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 28.124 28.505 40.808 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 28.790 28.862 42.121 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 48.073 69.874 4.689 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 48.424 68.986 4.754 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 48.174 70.237 5.569 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 45.309 64.534 61.829 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 45.241 63.833 62.477 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 46.209 64.849 61.911 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 76.408 56.019 13.812 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 75.563 56.138 14.245 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 76.601 56.872 13.424 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 40.016 2.357 12.300 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 40.738 2.179 11.698 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 40.426 2.388 13.165 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 34.461 72.017 6.160 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 35.305 71.707 6.489 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 34.280 72.807 6.669 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 44.475 67.649 36.011 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 45.345 67.358 36.286 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 44.285 68.400 36.573 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 54.817 12.361 -11.703 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 54.447 11.993 -12.505 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 54.150 12.201 -11.036 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 78.407 68.201 36.904 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 78.248 68.221 35.960 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 77.560 68.420 37.294 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 57.338 8.589 5.255 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 58.064 9.052 5.672 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 56.696 8.469 5.955 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 64.725 29.283 61.953 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 64.767 29.753 62.785 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 63.818 29.386 61.664 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 56.273 87.702 51.953 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 56.840 87.026 51.582 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 56.658 87.895 52.808 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 53.499 12.132 1.754 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 53.662 12.418 2.653 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 54.340 11.784 1.457 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 65.356 15.022 -16.465 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 66.187 14.930 -15.998 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 65.101 15.933 -16.322 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 70.155 27.463 -11.792 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 69.316 27.919 -11.722 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 70.403 27.276 -10.887 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 51.331 35.724 21.023 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 52.165 35.452 20.640 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 51.483 36.621 21.318 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 45.395 82.891 6.949 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 46.034 83.540 6.656 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 45.705 82.622 7.814 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 33.232 18.586 14.974 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 33.737 19.071 14.320 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 33.128 19.200 15.700 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 87.120 90.992 -15.650 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 87.787 90.533 -15.139 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 86.495 90.310 -15.896 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 77.870 40.637 11.919 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 78.529 41.135 12.402 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 77.707 41.156 11.131 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 87.822 24.422 0.639 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 87.269 24.250 -0.124 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 88.149 25.311 0.503 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 72.779 86.051 0.864 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 72.793 87.006 0.929 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 73.701 85.795 0.885 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 70.629 3.622 44.751 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 71.065 3.445 43.918 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 69.838 3.083 44.728 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 57.723 30.518 -2.971 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 57.065 30.844 -3.586 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 58.114 31.308 -2.598 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 40.380 7.271 -7.136 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 40.235 6.540 -6.535 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 39.678 7.890 -6.935 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 87.335 52.051 25.738 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 86.754 51.427 25.303 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 86.854 52.322 26.520 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 63.779 40.302 22.893 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 63.063 39.754 22.574 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 63.391 41.172 22.992 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 41.155 92.085 1.688 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 41.380 92.025 0.760 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 41.510 91.285 2.074 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 86.798 28.837 53.873 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 87.545 28.699 53.290 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 87.059 28.428 54.698 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 35.967 50.722 47.592 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 35.887 50.917 48.526 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 36.882 50.911 47.385 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 83.544 72.500 0.416 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 84.082 72.545 -0.374 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 82.758 72.025 0.144 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 43.297 47.355 -1.081 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 44.124 47.772 -1.323 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 42.824 48.028 -0.591 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 86.164 24.029 -7.056 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 85.589 23.774 -6.334 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 86.892 23.409 -7.013 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 38.803 51.705 65.442 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 38.005 51.315 65.083 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 39.371 50.958 65.629 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 74.919 92.694 56.975 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 75.219 93.197 56.218 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 74.975 93.307 57.708 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 71.374 13.348 -4.550 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 71.789 12.489 -4.475 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 70.782 13.395 -3.799 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 61.866 70.624 33.403 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 61.116 70.436 33.968 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 61.502 70.634 32.518 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 83.533 27.210 50.542 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 83.654 28.137 50.338 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 84.317 26.968 51.035 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 81.094 28.790 15.807 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 81.942 28.353 15.891 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 80.912 29.131 16.683 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 22.547 65.725 66.651 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 22.102 66.531 66.392 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 22.594 65.773 67.606 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 58.175 96.686 26.140 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 59.002 97.069 25.845 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 58.384 95.768 26.314 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 42.973 27.185 27.135 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 42.726 28.109 27.173 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 42.157 26.727 26.937 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 79.997 13.486 42.750 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 79.654 12.727 43.221 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 79.848 13.283 41.827 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 87.176 63.461 49.404 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 87.179 64.392 49.626 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 87.007 63.439 48.462 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 65.426 54.159 7.242 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 64.901 54.956 7.169 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 65.360 53.912 8.165 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 57.665 66.168 -6.610 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 58.451 65.634 -6.498 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 57.467 66.491 -5.731 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 89.314 74.970 -1.746 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 89.327 74.384 -0.989 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 88.771 74.516 -2.391 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 32.565 50.153 1.986 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 32.228 49.329 2.338 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 33.456 49.946 1.704 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 42.194 81.113 -18.107 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 42.260 81.875 -18.682 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 41.564 81.373 -17.435 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 84.899 33.175 -18.410 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 84.293 33.380 -19.123 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 85.116 34.025 -18.027 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 89.671 48.058 -9.318 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 88.956 47.984 -8.686 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 90.387 47.555 -8.931 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 48.550 81.883 52.184 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 47.595 81.899 52.119 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 48.823 81.217 51.553 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 61.276 7.722 -0.582 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 61.606 8.605 -0.414 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 61.609 7.503 -1.452 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 46.950 61.820 -16.892 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 46.411 62.611 -16.882 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 46.453 61.184 -16.378 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 30.055 10.321 -2.007 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 30.367 9.626 -2.586 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 30.789 10.933 -1.950 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 60.014 1.342 7.002 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 59.778 1.947 7.705 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 60.447 0.614 7.448 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 56.810 25.670 14.663 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 56.366 25.134 15.321 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 56.151 26.307 14.388 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 29.488 18.375 24.108 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 29.441 19.227 24.542 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 29.140 17.759 24.752 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 50.106 21.987 56.319 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 50.645 22.220 55.563 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 50.282 22.675 56.960 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 42.703 81.899 1.627 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 43.492 81.516 2.011 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 43.022 82.404 0.879 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 32.288 84.966 -3.853 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 32.719 84.281 -3.341 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 31.424 85.057 -3.453 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 67.123 89.527 32.285 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 67.912 89.821 32.741 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 66.406 89.745 32.881 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 39.134 55.640 5.475 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 38.582 55.427 6.227 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 40.029 55.577 5.809 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 45.252 31.465 -16.601 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 45.982 31.559 -15.989 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 44.724 32.252 -16.468 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 29.422 31.906 42.278 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 29.300 31.976 43.225 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 28.535 31.841 41.925 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 33.242 43.633 47.215 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 32.815 43.162 47.931 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 32.951 43.182 46.423 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 54.300 9.552 54.142 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 54.076 9.294 55.036 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 53.589 9.201 53.606 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 72.576 91.799 53.416 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 73.226 91.595 54.088 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 72.591 91.043 52.830 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 72.821 30.754 13.471 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 71.921 30.713 13.146 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 72.980 31.686 13.619 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 50.170 52.255 -6.366 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 49.645 53.027 -6.577 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 50.466 52.405 -5.468 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 50.169 34.946 -13.957 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 49.526 35.484 -13.495 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 50.994 35.421 -13.860 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 28.107 43.562 -18.596 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 28.170 43.970 -19.460 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 27.230 43.177 -18.577 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 81.332 4.857 -3.714 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 81.047 5.763 -3.592 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 81.440 4.517 -2.826 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 35.130 4.707 58.286 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 34.859 3.818 58.516 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 36.055 4.622 58.054 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 53.942 6.612 35.354 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 54.796 6.322 35.674 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 54.020 6.582 34.400 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 86.766 78.605 28.317 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 86.425 77.818 28.742 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 87.595 78.779 28.763 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 51.433 37.031 5.526 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 51.400 37.946 5.804 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 51.810 36.566 6.273 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 27.460 69.609 62.026 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 28.378 69.337 62.020 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 27.294 69.910 61.132 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 73.869 11.556 -3.644 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 73.189 10.889 -3.544 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 73.930 11.967 -2.782 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 79.993 72.251 -13.926 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 80.611 71.813 -13.342 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 80.223 73.178 -13.867 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 49.781 8.699 13.219 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 49.538 9.155 12.414 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 50.710 8.897 13.337 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 47.080 4.261 34.329 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 46.287 3.736 34.443 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 47.768 3.620 34.147 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 52.610 46.204 67.134 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 52.625 47.101 66.800 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 51.686 46.030 67.314 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 64.507 77.649 50.836 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 64.534 77.007 50.126 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 63.574 77.811 50.978 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 81.274 25.849 39.613 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 80.949 25.294 38.903 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 81.190 25.308 40.398 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 79.358 35.424 -11.744 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 78.492 35.260 -12.119 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 79.344 34.967 -10.902 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 58.293 89.535 9.548 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 58.530 90.212 10.182 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 57.496 89.864 9.132 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 26.747 0.532 4.120 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 27.585 0.542 3.656 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 26.555 -0.397 4.247 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 62.140 3.277 -19.202 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 62.102 3.550 -20.119 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 61.316 3.585 -18.825 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 86.652 30.371 1.946 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 86.683 30.911 2.737 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 86.182 29.581 2.214 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 73.152 3.839 53.661 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 72.952 4.742 53.412 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 72.575 3.306 53.114 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 58.767 30.176 14.624 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 58.601 29.998 15.549 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 58.042 29.754 14.164 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 60.593 91.876 55.401 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 60.876 91.078 54.953 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 60.142 92.382 54.725 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 45.896 31.520 -0.244 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 46.591 32.167 -0.369 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 45.086 32.006 -0.393 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 59.790 36.812 -4.531 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 59.689 36.469 -3.643 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 60.296 37.618 -4.420 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 51.487 5.660 -19.931 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 51.923 5.010 -19.380 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 52.133 5.878 -20.602 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 81.900 32.226 11.292 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 82.115 32.167 10.361 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 81.550 31.362 11.513 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 68.079 5.819 33.284 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 67.689 6.634 32.967 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 67.346 5.204 33.328 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 61.459 21.481 2.570 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 61.308 21.491 1.625 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 60.717 21.961 2.937 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 55.555 18.142 12.030 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 54.771 18.559 12.387 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 55.578 18.417 11.114 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 32.832 94.308 59.922 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 32.679 94.774 60.744 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 31.968 93.987 59.664 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 58.147 93.238 44.089 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 58.464 94.129 43.940 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 58.385 92.763 43.294 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 71.038 93.853 27.127 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 70.948 93.226 26.409 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 70.150 93.956 27.468 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 30.209 87.407 -1.556 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 29.423 87.081 -1.117 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 30.809 87.626 -0.843 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 24.625 23.711 -18.100 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 24.244 24.083 -18.895 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 25.003 24.461 -17.641 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 42.460 8.305 46.264 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 42.863 8.432 45.405 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 41.519 8.281 46.087 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 26.335 7.712 -13.855 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 26.778 7.729 -13.006 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 25.416 7.550 -13.643 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 89.987 52.907 -1.413 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 89.555 53.223 -2.206 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 90.087 51.966 -1.553 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 89.861 69.485 -8.437 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 90.298 68.634 -8.404 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 89.940 69.829 -7.547 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 22.041 67.155 63.674 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 21.396 66.617 64.133 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 22.630 66.523 63.261 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 41.964 93.818 17.577 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 41.589 92.947 17.446 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 41.915 93.960 18.522 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 90.793 27.275 32.690 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 90.956 26.861 31.842 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 89.840 27.268 32.781 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 36.760 30.378 52.893 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 36.552 29.531 52.498 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 37.469 30.726 52.353 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 58.434 24.547 -15.105 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 58.937 24.957 -14.401 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 58.208 25.269 -15.691 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 61.340 27.015 22.549 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 60.421 27.128 22.793 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 61.436 27.510 21.736 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 69.581 48.061 28.912 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 69.076 48.199 28.111 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 69.481 47.128 29.102 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 77.857 39.655 -15.866 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 77.704 40.475 -16.335 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 78.512 39.876 -15.204 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 79.931 92.633 38.127 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 80.200 92.279 37.279 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 80.613 92.347 38.734 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 46.307 36.533 41.561 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 45.366 36.568 41.389 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 46.687 37.162 40.947 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 26.409 12.991 44.898 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 26.704 13.895 45.009 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 25.688 12.895 45.520 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 49.525 49.445 -6.330 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 50.059 49.305 -7.112 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 49.519 50.395 -6.210 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 63.480 28.554 5.711 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 62.558 28.602 5.964 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 63.463 28.356 4.774 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 58.861 16.588 24.229 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 59.788 16.502 24.449 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 58.787 17.459 23.837 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 68.953 79.234 58.257 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 69.274 79.342 59.152 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 69.362 78.425 57.951 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 55.018 9.973 16.327 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 55.876 10.268 16.633 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 54.832 9.194 16.852 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 63.313 6.535 21.283 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 62.779 5.915 21.779 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 62.975 6.481 20.389 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 63.549 58.392 41.941 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 62.719 57.943 41.780 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 63.768 58.175 42.847 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 24.338 57.998 35.157 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 24.624 58.836 35.519 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 24.791 57.933 34.316 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 33.525 51.791 5.784 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 32.729 51.922 5.269 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 34.148 51.404 5.168 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 67.741 29.465 25.326 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 67.794 28.634 24.854 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 68.629 29.819 25.289 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 70.018 6.964 60.579 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 70.104 6.158 60.070 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 69.074 7.088 60.675 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 73.811 24.563 27.176 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 73.834 23.630 26.967 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 74.667 24.892 26.902 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 82.372 84.266 -15.474 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 81.612 84.731 -15.126 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 82.966 84.183 -14.728 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 75.866 18.239 65.066 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 76.271 18.575 64.266 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 76.554 17.722 65.485 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 38.544 27.651 25.914 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 38.555 28.603 25.819 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 38.027 27.341 25.171 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 83.102 42.259 26.805 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 83.319 41.959 25.922 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 83.601 43.069 26.912 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 56.672 80.615 -11.713 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 56.657 79.701 -11.431 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 55.913 80.701 -12.290 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 45.317 76.594 15.587 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 45.586 76.023 14.868 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 45.862 76.322 16.326 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 80.835 19.396 -16.013 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 81.594 18.924 -15.671 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 80.187 18.715 -16.188 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 50.439 1.449 -19.087 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 50.700 0.531 -19.161 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 50.512 1.645 -18.153 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 72.080 12.158 9.806 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 72.015 11.225 10.010 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 72.957 12.407 10.097 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 22.850 1.675 4.838 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 22.928 0.735 4.678 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 22.912 2.073 3.969 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 31.798 50.204 25.770 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 31.664 51.152 25.765 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 32.504 50.065 26.402 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 54.617 60.213 51.418 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 54.823 61.095 51.727 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 53.991 60.348 50.707 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 27.321 19.705 6.715 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 28.269 19.579 6.751 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 27.208 20.565 6.309 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 43.639 95.920 55.596 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 44.236 95.198 55.794 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 43.322 95.734 54.712 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 81.724 20.321 -9.334 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 81.339 21.127 -9.679 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 81.312 20.206 -8.478 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 42.878 83.292 -0.721 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 43.762 83.644 -0.623 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 42.302 84.031 -0.524 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 72.714 16.690 -19.665 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 72.099 17.045 -20.307 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 72.892 15.800 -19.969 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 79.061 8.406 -14.484 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 79.750 9.012 -14.757 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 79.312 7.567 -14.870 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 35.873 52.911 59.572 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 35.203 53.586 59.677 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 36.362 53.178 58.794 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 88.529 80.030 52.828 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 88.694 80.572 53.600 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 89.284 79.444 52.781 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 56.808 35.057 36.280 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 56.244 35.688 35.831 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 56.571 35.139 37.204 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 63.374 34.068 -19.302 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 63.004 34.102 -18.420 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 63.219 33.169 -19.592 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 76.564 70.757 42.117 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 75.981 70.550 41.388 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 77.406 70.377 41.867 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 79.829 79.812 -8.129 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 80.013 79.505 -9.017 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 78.879 79.924 -8.105 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 22.205 54.130 -13.475 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 22.464 53.286 -13.845 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 22.731 54.216 -12.680 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 89.183 69.593 2.077 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 88.675 68.984 2.613 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 89.690 69.031 1.491 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 69.683 30.922 16.383 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 69.438 30.500 17.207 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 68.905 30.840 15.831 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 42.320 93.484 10.948 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 41.506 93.845 10.596 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 42.271 92.548 10.755 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 68.925 34.837 25.813 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 68.410 34.653 25.028 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 69.500 35.560 25.560 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 29.782 54.355 2.066 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 30.013 55.167 1.616 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 30.602 53.865 2.115 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 42.979 35.676 63.737 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 42.237 35.119 63.973 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 43.738 35.095 63.783 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 36.247 9.165 21.009 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 37.123 9.394 20.700 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 36.172 9.598 21.859 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 50.484 60.315 -10.103 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 51.250 60.342 -9.529 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 49.813 59.868 -9.588 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 90.315 37.109 30.121 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 89.393 37.155 30.371 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 90.524 37.990 29.813 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 60.262 89.934 65.326 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 60.696 89.565 64.557 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 59.695 89.232 65.643 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 82.295 15.209 49.710 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 82.532 14.907 50.587 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 81.346 15.098 49.667 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 60.030 64.694 -6.760 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 59.911 65.013 -7.655 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 59.747 63.780 -6.792 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 66.491 80.492 64.996 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 66.165 81.082 65.675 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 65.783 79.862 64.865 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 71.626 47.307 11.854 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 72.328 46.656 11.855 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 71.237 47.242 12.726 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 24.682 78.493 36.151 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 24.263 77.633 36.183 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 24.027 79.063 35.747 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 44.756 42.231 65.754 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 44.094 42.919 65.808 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 45.288 42.467 64.994 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 32.336 39.828 -11.009 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 32.171 39.435 -10.151 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 33.109 39.369 -11.338 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 26.137 57.126 52.622 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 26.081 58.082 52.614 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 26.415 56.909 53.512 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 72.753 22.379 -12.246 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 72.674 21.687 -11.590 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 72.000 22.251 -12.822 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 39.861 60.154 -2.200 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 39.097 60.730 -2.215 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 39.520 59.295 -2.447 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 51.233 7.473 36.011 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 51.302 8.217 35.413 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 52.080 7.033 35.945 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 82.105 83.751 10.233 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 82.441 84.626 10.424 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 82.394 83.573 9.338 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 62.678 78.927 31.492 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 62.395 78.197 32.043 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 62.306 78.736 30.631 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 35.607 13.696 49.481 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 35.409 14.631 49.543 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 36.195 13.526 50.217 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 50.889 20.245 16.481 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 50.154 20.623 15.999 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 50.615 20.274 17.398 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 26.390 42.004 5.650 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 26.523 41.543 6.478 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 25.711 42.650 5.841 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 62.730 10.663 -18.859 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 63.517 11.208 -18.888 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 62.467 10.671 -17.939 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 77.688 32.266 17.152 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 77.504 32.346 16.216 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 78.642 32.218 17.206 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 57.947 35.878 -13.521 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 58.318 36.757 -13.446 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 58.352 35.386 -12.806 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 30.535 66.495 34.960 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 31.295 66.040 34.599 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 29.843 66.357 34.312 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 89.724 39.857 65.921 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 89.177 39.109 66.161 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 89.600 40.483 66.635 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 54.659 63.292 -10.634 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 54.169 62.718 -10.044 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 55.491 63.441 -10.186 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 45.707 36.349 49.040 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 45.631 35.907 48.195 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 44.915 36.882 49.105 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 47.550 38.699 56.734 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 46.896 38.578 57.423 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 47.682 39.646 56.692 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 83.177 37.690 -20.085 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 83.339 37.556 -19.151 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 83.758 38.411 -20.329 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 79.573 2.279 -13.163 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 79.934 2.335 -14.048 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 79.703 1.366 -12.908 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 41.261 70.090 -8.489 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 42.110 69.651 -8.423 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 41.309 70.802 -7.852 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 20.338 28.086 6.437 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 19.695 28.243 7.128 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 20.827 27.318 6.735 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 27.552 88.786 -2.932 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 27.880 88.320 -2.162 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 26.977 88.157 -3.366 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 76.730 19.317 62.906 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 76.224 19.528 62.121 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 77.253 20.101 63.072 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 22.470 18.147 42.648 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 21.761 18.311 42.026 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 22.344 17.238 42.920 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 46.390 69.733 26.821 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 46.890 69.623 27.630 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 47.016 70.108 26.201 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 51.457 19.745 62.103 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 50.565 19.528 61.834 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 51.923 19.907 61.282 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 83.757 84.995 -6.275 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 84.712 84.968 -6.328 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 83.575 85.339 -5.401 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 63.856 22.706 -12.647 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 62.899 22.728 -12.685 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 64.123 22.385 -13.509 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 76.622 12.734 40.409 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 76.186 11.927 40.682 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 77.342 12.440 39.849 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 60.025 25.978 61.264 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 60.890 25.755 60.918 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 59.824 26.829 60.875 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 20.907 37.588 50.178 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 20.297 38.085 50.723 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 21.753 38.015 50.315 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 25.518 17.062 8.824 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 26.363 17.459 9.035 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 25.561 16.188 9.211 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 27.872 46.824 21.195 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 27.927 47.773 21.306 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 28.479 46.470 21.845 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 32.615 51.901 8.383 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 32.451 52.724 8.843 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 33.427 52.054 7.900 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 86.139 95.177 -16.818 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 86.764 95.769 -17.237 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 86.319 94.322 -17.210 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 67.731 47.041 26.036 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 66.908 47.501 26.204 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 68.373 47.738 25.903 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 33.343 49.383 27.815 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 33.083 48.466 27.907 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 34.289 49.380 27.961 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 54.440 52.601 23.689 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 54.815 51.914 23.137 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 54.130 53.262 23.070 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 28.358 48.692 39.329 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 28.815 49.521 39.470 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 29.026 48.107 38.972 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 50.258 50.909 -16.603 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 51.190 50.964 -16.394 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 50.219 50.342 -17.373 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 77.996 29.343 44.794 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 78.899 29.560 45.028 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 78.014 29.240 43.842 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 24.957 7.541 -2.941 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 25.211 8.452 -3.092 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 25.184 7.377 -2.026 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 52.078 67.519 -13.180 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 52.262 66.929 -12.449 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 52.883 67.517 -13.698 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 46.322 40.014 -10.782 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 46.977 39.362 -10.534 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 46.434 40.119 -11.727 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 22.020 81.360 23.997 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 21.359 80.684 23.847 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 21.538 82.079 24.406 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 87.968 65.381 37.855 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 87.265 65.528 37.223 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 88.742 65.211 37.318 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 53.160 20.638 2.224 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 53.940 20.941 2.689 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 52.560 21.383 2.251 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 83.438 82.638 3.547 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 83.390 81.686 3.450 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 83.737 82.951 2.693 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 32.930 27.305 20.795 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 32.021 27.602 20.828 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 32.980 26.775 19.999 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 45.922 58.474 17.506 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 45.568 58.946 18.260 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 46.870 58.491 17.636 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 61.906 64.223 23.569 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 62.085 65.084 23.191 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 60.956 64.123 23.498 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 29.972 24.436 11.019 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 30.526 23.765 10.619 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 30.064 24.292 11.961 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 26.366 60.070 58.976 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 26.946 59.308 58.963 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 26.916 60.796 58.681 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 54.954 23.858 1.310 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 55.201 24.669 0.864 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 54.125 23.604 0.906 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 80.992 78.006 29.350 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 81.598 77.468 28.841 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 80.177 77.991 28.847 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 68.631 87.295 -9.786 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 69.083 86.995 -10.575 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 68.190 86.515 -9.451 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 62.300 57.557 60.165 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 61.530 57.910 59.719 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 62.857 58.320 60.321 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 53.881 89.579 60.910 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 53.866 89.106 61.742 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 54.786 89.877 60.819 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 77.981 91.407 56.414 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 78.094 92.186 55.870 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 78.718 90.842 56.181 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 49.304 74.585 -11.631 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 48.839 73.790 -11.895 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 49.167 74.640 -10.686 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 83.530 91.345 5.657 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 83.408 91.971 4.944 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 83.771 91.883 6.412 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 28.443 70.698 18.874 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 29.178 70.818 19.475 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 27.996 69.914 19.194 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 45.226 51.092 64.997 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 44.420 50.977 64.495 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 45.176 51.989 65.329 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 86.455 64.733 3.671 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 86.812 64.108 4.302 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 86.560 64.303 2.822 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 72.561 44.397 0.863 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 72.348 44.906 0.081 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 73.367 44.793 1.195 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 46.042 53.614 20.898 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 46.934 53.413 21.181 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 46.101 54.495 20.527 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 32.981 15.308 43.707 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 33.071 14.363 43.831 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 32.501 15.607 44.478 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 21.077 12.372 10.053 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 21.954 12.717 9.887 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 20.502 13.133 9.984 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 78.500 91.761 4.416 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 79.378 91.775 4.035 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 78.523 92.433 5.097 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 61.102 49.870 24.616 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 60.304 49.575 25.054 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 60.845 49.985 23.701 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 58.057 42.996 33.510 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 57.298 43.460 33.158 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 58.803 43.359 33.032 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 57.299 30.552 3.415 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 57.965 31.214 3.600 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 56.604 30.727 4.050 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 52.017 69.130 29.057 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 51.421 68.666 28.468 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 51.685 68.939 29.934 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 85.895 70.740 39.976 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 86.057 69.798 39.929 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 86.758 71.124 40.134 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 58.288 66.883 41.946 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 58.493 66.788 41.016 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 58.012 66.009 42.222 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 43.516 39.953 65.674 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 43.978 40.774 65.839 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 43.819 39.677 64.808 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 61.364 22.307 -13.608 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 60.867 23.124 -13.657 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 61.742 22.204 -14.482 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 45.561 73.717 16.632 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 44.709 73.447 16.976 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 45.563 73.409 15.726 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 40.607 25.786 18.141 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 41.510 25.469 18.141 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 40.687 26.739 18.189 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 49.264 29.046 34.807 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 49.617 29.212 33.933 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 48.454 29.555 34.840 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 54.073 85.558 10.793 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 54.473 85.313 9.959 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 54.527 86.360 11.051 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 40.920 32.646 45.442 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 41.734 33.144 45.513 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 40.616 32.811 44.549 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 50.627 54.575 16.913 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 51.045 53.714 16.905 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 49.694 54.387 17.017 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 57.101 46.254 -11.620 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 57.011 46.852 -10.878 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 56.204 46.102 -11.916 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 30.058 12.260 48.314 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 30.353 12.443 49.206 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 30.860 12.050 47.835 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 52.664 83.068 11.159 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 53.058 82.638 10.400 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 53.161 83.880 11.259 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 60.462 5.653 43.399 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 60.659 4.910 43.971 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 59.789 5.325 42.803 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 45.683 5.365 -9.180 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 46.506 5.852 -9.144 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 45.097 5.839 -8.590 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 52.724 63.286 41.480 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 53.167 62.668 40.898 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 52.898 64.145 41.095 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 66.493 62.099 -12.216 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 65.973 61.329 -11.987 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 66.714 62.499 -11.375 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 49.015 62.533 63.602 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 49.439 63.296 63.207 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 48.273 62.348 63.027 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 42.267 64.229 9.322 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 43.156 63.929 9.134 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 42.380 64.922 9.973 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 27.792 62.674 22.010 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 28.066 62.633 21.094 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 28.577 62.947 22.484 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 62.414 62.249 46.338 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 62.771 61.392 46.572 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 62.163 62.162 45.419 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 35.396 6.394 16.847 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 36.051 5.763 17.146 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 35.310 7.012 17.572 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 39.860 21.985 -4.103 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 39.303 22.763 -4.108 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 40.569 22.201 -3.498 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 49.371 80.803 46.885 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 49.469 79.858 46.997 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 48.429 80.938 46.787 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 50.454 84.561 -15.423 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 51.226 85.027 -15.101 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 50.162 84.036 -14.677 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 31.855 9.977 62.140 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 32.735 10.015 62.514 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 31.288 9.767 62.883 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 70.706 54.183 -2.980 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 70.835 54.052 -2.040 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 70.730 55.133 -3.095 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 74.529 89.902 15.674 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 74.091 90.031 14.832 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 75.415 90.238 15.537 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 59.553 32.271 -20.131 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 59.407 32.964 -19.486 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 58.686 31.889 -20.272 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 58.815 15.871 46.277 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 59.269 16.516 45.735 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 58.614 15.152 45.678 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 56.496 58.953 -1.049 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 57.397 58.713 -1.267 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 56.576 59.505 -0.271 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 25.746 59.862 29.162 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 26.331 60.564 28.878 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 26.277 59.067 29.098 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 82.725 47.877 12.413 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 82.107 47.879 13.144 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 83.025 48.783 12.349 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 49.302 86.333 60.881 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 49.543 87.171 60.485 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 49.523 86.432 61.807 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 63.822 83.074 20.992 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 64.063 83.978 21.197 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 63.141 82.857 21.629 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 61.711 83.194 29.709 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 61.397 82.441 30.210 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 62.352 83.613 30.283 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 69.590 30.192 -11.593 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 70.254 30.113 -12.278 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 70.088 30.186 -10.775 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 43.464 5.412 24.682 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 43.803 5.941 25.405 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 42.516 5.409 24.811 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 73.975 12.108 6.863 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 73.462 11.327 6.654 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 73.538 12.816 6.389 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 46.274 6.874 -0.451 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 46.404 7.089 0.473 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 46.206 5.919 -0.468 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 71.217 4.420 7.785 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 70.534 4.242 7.139 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 71.492 5.318 7.601 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 40.316 87.136 -18.016 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 40.582 86.779 -17.169 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 41.035 87.715 -18.269 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 66.526 68.461 55.776 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 66.482 67.509 55.680 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 66.417 68.797 54.887 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 69.430 61.848 10.755 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 69.604 61.017 11.198 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 69.381 61.619 9.827 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 70.573 18.142 60.093 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 70.413 18.137 59.150 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 71.522 18.047 60.177 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 80.526 11.866 -8.619 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 80.627 11.245 -7.897 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 80.399 11.316 -9.392 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 43.163 87.191 55.086 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 42.938 87.497 55.965 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 42.320 87.077 54.648 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 65.706 78.641 26.703 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 65.697 79.430 26.160 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 66.046 77.957 26.126 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 42.907 95.720 3.606 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 42.236 96.250 4.035 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 43.641 95.717 4.221 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 31.281 6.621 39.205 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 32.146 6.269 39.417 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 30.832 5.901 38.762 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 37.382 23.060 29.397 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 38.123 23.392 29.904 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 36.611 23.429 29.829 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 44.930 74.283 7.544 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 45.792 73.909 7.362 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 44.455 73.584 7.994 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 80.291 21.770 1.001 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 80.528 22.037 1.889 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 79.585 21.136 1.122 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 62.318 54.069 -11.701 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 61.459 53.649 -11.724 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 62.200 54.827 -11.128 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 50.416 93.242 54.741 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 49.810 92.518 54.896 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 49.851 94.005 54.617 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 40.632 81.497 -9.176 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 40.166 81.218 -8.388 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 41.323 80.844 -9.289 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 46.792 25.453 59.188 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 46.121 25.311 58.520 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 47.527 25.840 58.712 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 62.137 93.397 18.993 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 62.977 93.424 19.452 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 61.485 93.550 19.676 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 45.571 69.210 62.884 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 45.958 68.669 62.196 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 45.037 69.850 62.413 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 63.108 44.605 6.161 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 63.909 44.184 6.474 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 62.632 44.838 6.958 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 52.280 6.135 49.869 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 51.499 5.607 49.702 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 52.396 6.099 50.818 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 54.766 19.501 46.342 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 55.625 19.644 45.944 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 54.880 18.720 46.883 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 82.503 34.477 63.569 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 83.458 34.492 63.625 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 82.242 35.391 63.680 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 58.782 30.661 53.172 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 58.246 31.299 53.642 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 59.242 31.176 52.509 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 34.817 19.267 61.333 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 34.016 19.176 61.849 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 34.716 20.104 60.880 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 61.792 21.723 20.694 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 61.452 22.408 21.270 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 61.120 21.622 20.019 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 49.588 85.478 13.670 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 50.284 84.823 13.625 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 49.697 85.887 14.528 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 43.978 56.968 -16.067 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 43.408 57.700 -16.304 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 44.348 57.217 -15.220 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 25.191 22.563 53.255 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 25.181 21.838 52.629 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 25.957 22.395 53.804 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 78.669 37.129 30.545 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 78.149 36.341 30.703 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 78.123 37.665 29.969 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 24.634 14.251 -6.253 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 25.015 15.061 -5.913 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 24.882 14.239 -7.178 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 45.867 76.974 49.175 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 46.172 77.877 49.259 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 46.637 76.441 49.374 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 79.661 66.806 38.787 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 78.986 66.128 38.829 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 79.301 67.468 38.198 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 85.087 44.420 50.263 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 84.133 44.451 50.337 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 85.353 43.729 50.869 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 61.117 2.337 16.584 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 61.725 2.245 17.317 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 60.498 1.615 16.693 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 20.522 65.815 -7.077 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 20.852 66.311 -7.826 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 19.650 65.525 -7.347 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 46.928 84.984 6.101 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 46.797 85.142 5.166 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 47.851 85.188 6.251 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 64.598 28.402 -3.058 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 64.166 29.197 -2.744 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 63.894 27.756 -3.121 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 30.359 88.866 -19.249 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 29.757 89.432 -19.732 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 30.836 88.389 -19.927 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 53.829 25.298 7.242 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 53.663 25.408 8.179 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 53.964 26.188 6.916 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 61.364 19.146 29.458 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 62.231 19.503 29.266 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 60.757 19.741 29.018 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 56.636 57.785 12.810 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 55.963 57.369 13.348 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 56.391 58.710 12.793 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 26.186 75.137 25.800 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 26.167 76.061 25.550 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 26.844 75.090 26.494 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 79.286 17.245 -16.470 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 79.388 16.333 -16.196 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 78.627 17.603 -15.875 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 27.661 87.351 -7.937 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 28.323 86.685 -7.752 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 27.842 87.625 -8.837 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 63.504 13.038 30.969 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 64.128 13.759 31.052 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 62.666 13.465 30.790 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 59.337 76.588 -0.488 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 58.547 76.734 -1.009 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 59.018 76.492 0.409 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 37.850 21.129 25.592 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 38.097 20.822 24.719 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 38.669 21.130 26.087 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 71.407 1.772 38.216 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 70.873 2.196 37.544 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 71.792 2.496 38.709 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 74.720 92.465 41.717 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 74.660 91.532 41.921 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 74.143 92.888 42.353 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 34.640 26.422 64.071 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 35.071 26.141 64.878 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 35.018 25.865 63.390 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 40.216 12.688 -9.270 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 40.698 13.514 -9.237 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 40.867 12.021 -9.054 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 63.349 29.489 54.364 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 62.571 29.457 54.921 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 63.012 29.695 53.492 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 53.060 49.396 36.477 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 53.350 49.650 35.601 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 53.296 50.139 37.032 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 80.156 88.457 63.082 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 80.442 87.615 63.434 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 79.707 88.237 62.266 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 81.242 79.346 -11.155 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 81.303 80.289 -11.003 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 82.151 79.054 -11.223 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 49.112 19.642 18.405 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 49.016 20.005 19.286 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 48.695 20.287 17.833 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 50.211 34.111 14.831 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 49.346 34.504 14.710 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 50.219 33.826 15.745 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 31.937 26.848 4.705 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 31.297 27.298 4.153 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 31.454 26.631 5.503 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 72.548 97.002 -1.330 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 72.713 96.573 -2.169 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 72.301 96.290 -0.741 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 87.421 43.227 -19.340 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 86.973 42.596 -19.902 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 87.466 44.026 -19.865 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 34.081 83.933 21.334 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 34.299 84.854 21.189 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 34.764 83.615 21.924 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 53.098 93.298 46.478 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 52.471 93.347 45.757 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 53.947 93.468 46.070 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 69.742 27.873 56.677 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 69.340 27.174 56.160 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 69.178 28.633 56.531 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 74.494 28.028 -1.423 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 74.304 28.927 -1.157 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 75.350 28.079 -1.847 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 27.873 61.677 28.486 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 28.702 61.531 28.940 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 28.121 62.099 27.663 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 19.951 36.813 62.977 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 20.460 37.174 63.704 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 20.329 35.947 62.827 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 35.404 29.849 10.158 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 35.683 30.756 10.285 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 34.548 29.800 10.582 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 34.210 49.216 53.781 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 35.074 48.977 53.444 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 33.716 49.485 53.007 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 50.141 77.265 30.424 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 49.622 76.624 30.911 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 50.848 76.753 30.031 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 26.624 76.762 34.603 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 26.486 77.540 35.144 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 26.616 76.034 35.224 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 26.608 55.245 18.883 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 27.402 55.149 18.357 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 26.715 56.086 19.328 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 47.397 95.564 -1.254 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 47.270 95.907 -2.139 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 48.246 95.122 -1.288 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 30.004 27.102 6.954 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 29.244 27.662 6.797 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 30.526 27.581 7.597 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 31.564 2.359 -8.197 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 31.638 1.785 -7.435 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 30.706 2.773 -8.104 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 38.106 24.720 12.912 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 38.434 25.610 12.786 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 38.781 24.159 12.529 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 22.813 22.146 -14.857 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 22.198 21.975 -15.570 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 22.268 22.486 -14.147 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 71.280 32.129 38.856 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 72.006 31.953 39.455 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 71.180 33.081 38.873 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 59.135 8.262 -14.400 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 59.300 9.038 -14.936 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 59.231 7.527 -15.005 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 86.147 73.084 43.670 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 85.826 73.018 44.569 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 86.708 72.317 43.558 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 21.627 84.897 23.058 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 21.098 84.424 23.700 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 22.532 84.708 23.307 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 74.760 60.680 22.054 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 75.235 61.054 21.311 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 73.848 60.933 21.907 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 88.677 3.098 36.837 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 88.552 2.314 36.302 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 88.696 3.818 36.207 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 28.231 26.588 46.171 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 28.919 26.382 45.537 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 28.640 26.443 47.024 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 30.555 52.869 -2.663 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 31.227 52.266 -2.347 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 29.733 52.389 -2.558 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 81.628 32.096 61.426 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 82.041 31.940 62.276 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 82.094 32.852 61.069 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 67.755 85.003 48.627 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 67.368 84.600 47.850 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 68.407 85.612 48.282 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 56.552 43.504 -4.308 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 55.970 43.044 -3.704 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 57.425 43.394 -3.931 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 77.228 35.565 50.454 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 77.386 34.713 50.047 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 76.662 36.025 49.834 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 70.241 38.379 11.568 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 69.382 38.760 11.750 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 70.634 38.248 12.431 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 90.022 29.288 35.690 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 89.674 29.081 34.823 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 89.342 29.822 36.101 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 37.018 75.835 -7.739 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 36.920 76.622 -8.275 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 37.957 75.780 -7.563 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 34.688 94.871 2.982 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 35.155 94.260 3.551 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 33.890 94.405 2.732 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 89.073 35.993 4.782 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 89.677 36.479 4.219 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 89.519 35.945 5.627 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 66.607 71.141 0.017 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 65.909 71.748 -0.229 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 66.188 70.281 0.018 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 27.181 40.049 -9.013 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 27.668 40.208 -8.205 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 27.701 40.476 -9.694 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 73.850 10.413 -13.404 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 73.065 9.877 -13.294 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 74.448 9.863 -13.911 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 55.605 46.495 33.087 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 55.292 45.659 32.740 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 56.513 46.553 32.789 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 20.441 88.147 -0.963 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 21.156 87.779 -0.445 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 20.224 88.969 -0.523 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 83.365 38.607 21.446 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 82.685 38.569 20.774 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 83.030 39.228 22.093 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 52.689 80.637 60.016 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 52.343 80.796 60.894 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 53.635 80.753 60.106 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 35.280 33.571 14.989 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 36.153 33.472 15.370 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 35.321 34.397 14.508 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 58.368 4.661 36.458 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 58.986 4.358 35.793 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 57.811 5.289 35.999 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 51.300 22.542 38.499 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 51.437 22.843 39.397 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 50.364 22.664 38.344 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 32.336 74.554 60.773 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 31.719 74.258 61.443 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 33.056 73.925 60.816 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 51.785 42.651 63.925 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 51.488 43.457 63.504 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 51.289 42.609 64.742 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 32.969 23.912 63.987 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 32.534 24.129 64.811 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 33.561 24.648 63.827 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 68.479 43.030 33.402 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 68.377 43.810 32.857 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 68.275 42.300 32.817 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 77.776 17.785 -2.916 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 78.440 18.473 -2.961 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 78.151 17.127 -2.330 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 60.643 19.910 57.301 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 60.790 20.601 56.655 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 59.803 20.132 57.704 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 57.179 84.704 7.468 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 57.602 85.364 8.017 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 57.873 84.075 7.271 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 88.286 0.867 -12.688 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 88.191 1.813 -12.801 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 88.610 0.556 -13.533 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 27.156 37.555 16.334 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 27.949 37.511 15.800 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 26.833 38.448 16.212 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 49.280 18.538 -12.478 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 48.967 19.406 -12.733 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 49.990 18.349 -13.091 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 68.769 81.392 56.662 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 68.793 80.641 57.256 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 68.331 82.080 57.164 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 20.919 15.676 -3.496 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 21.837 15.590 -3.240 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 20.491 16.057 -2.730 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 22.473 19.784 44.881 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 22.762 19.404 44.051 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 22.672 20.716 44.800 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 20.946 48.273 25.631 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 20.080 48.402 26.018 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 20.867 48.621 24.743 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 79.052 29.546 -7.139 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 79.268 29.658 -6.214 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 78.524 28.748 -7.168 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 90.865 28.350 55.353 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 90.335 27.914 54.686 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 90.716 29.284 55.205 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 58.409 34.948 -0.976 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 57.804 34.471 -0.408 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 57.850 35.339 -1.647 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 77.864 63.576 48.718 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 78.021 64.520 48.718 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 77.588 63.379 49.614 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 89.281 74.819 -11.792 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 89.689 74.679 -10.938 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 88.503 75.343 -11.604 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 33.195 10.398 13.003 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 33.952 10.981 13.057 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 33.553 9.524 13.157 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 38.767 27.980 7.043 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 38.902 28.437 7.873 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 39.588 28.102 6.566 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 83.890 18.891 67.164 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 84.743 19.308 67.286 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 84.094 17.967 67.016 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 61.989 2.983 -10.246 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 61.342 2.402 -9.846 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 62.703 2.401 -10.509 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 83.357 6.471 -14.214 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 82.758 6.188 -13.523 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 84.138 6.767 -13.747 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 34.574 56.465 -17.516 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 34.882 56.105 -16.684 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 33.829 55.915 -17.755 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 46.400 58.144 9.078 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 47.148 58.174 9.675 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 46.790 58.165 8.204 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 36.806 38.222 16.580 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 37.534 38.364 15.976 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 37.170 37.667 17.269 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 21.363 37.086 15.466 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 20.906 37.813 15.043 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 21.071 37.116 16.377 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 26.840 16.138 40.459 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 26.854 15.817 39.557 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 25.910 16.220 40.670 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 78.067 14.432 -17.146 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 78.462 13.806 -17.753 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 77.163 14.133 -17.047 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 70.211 34.760 38.864 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 69.515 35.259 39.292 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 70.098 34.940 37.931 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 69.664 83.252 43.022 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 69.311 82.593 43.620 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 69.404 84.089 43.407 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 64.985 68.853 14.243 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 65.620 68.364 14.767 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 64.973 68.401 13.399 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 90.449 48.957 19.571 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 90.724 49.481 20.324 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 90.891 49.361 18.824 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 40.589 4.353 60.677 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 40.563 3.669 60.008 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 41.416 4.810 60.521 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 65.164 95.451 55.175 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 66.103 95.298 55.071 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 64.798 94.585 55.350 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 74.257 82.311 64.578 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 73.330 82.466 64.755 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 74.342 81.358 64.558 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 75.245 87.391 27.318 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 74.726 88.194 27.267 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 75.258 87.173 28.249 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 80.487 70.310 -17.765 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 80.246 69.523 -18.253 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 79.943 70.281 -16.978 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 73.416 31.833 6.938 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 72.481 31.993 7.066 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 73.819 32.094 7.766 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 51.430 94.200 64.110 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 51.710 95.070 64.393 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 50.932 93.854 64.852 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 64.629 26.229 16.561 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 64.568 26.284 15.607 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 64.013 26.889 16.879 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 78.237 31.322 11.916 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 78.401 31.970 11.230 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 77.562 30.751 11.550 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 66.392 40.246 -19.352 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 66.933 39.739 -18.747 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 66.508 39.813 -20.198 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 87.412 33.969 13.983 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 87.022 34.254 14.810 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 86.851 33.252 13.688 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 71.706 26.841 23.255 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 71.235 26.482 22.502 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 72.618 26.591 23.109 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 82.343 58.577 46.350 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 82.239 59.527 46.299 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 81.525 58.227 45.997 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 83.388 93.683 28.037 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 83.425 92.734 28.153 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 83.999 94.028 28.688 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 53.309 37.342 -3.614 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 53.811 36.533 -3.509 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 52.405 37.089 -3.425 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 81.345 62.030 53.411 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 80.998 61.395 54.037 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 80.599 62.249 52.852 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 65.683 49.517 34.977 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 65.718 49.943 34.120 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 64.748 49.437 35.168 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 53.209 93.079 -1.892 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 53.519 92.985 -0.991 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 52.402 92.565 -1.922 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 73.791 83.756 3.376 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 73.679 83.971 2.450 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 72.919 83.860 3.755 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 39.421 89.535 0.065 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 39.252 90.391 -0.327 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 40.282 89.283 -0.271 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 36.803 43.769 56.036 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 35.865 43.654 55.882 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 36.911 43.625 56.976 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 76.094 76.374 52.643 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 75.530 76.944 53.165 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 75.935 76.642 51.738 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 63.170 24.390 18.433 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 63.404 25.047 17.777 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 62.239 24.536 18.597 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 20.354 43.864 -1.915 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 19.588 44.200 -2.381 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 20.776 44.643 -1.553 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 50.215 9.601 -2.550 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 49.606 9.469 -3.276 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 49.776 9.212 -1.793 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 33.701 36.044 29.068 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 33.325 36.845 28.702 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 34.586 36.293 29.333 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 22.430 84.305 -10.842 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 22.963 83.536 -10.642 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 21.527 83.990 -10.797 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 60.353 16.531 4.596 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 59.766 17.286 4.634 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 59.935 15.875 5.154 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 43.410 33.332 44.595 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 43.204 32.761 43.855 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 43.799 34.111 44.196 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 82.062 20.402 40.204 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 81.326 20.690 40.744 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 82.762 21.024 40.401 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 72.753 43.663 15.391 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 73.396 43.760 14.689 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 72.125 44.370 15.240 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 22.033 56.251 28.621 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 22.547 56.038 27.842 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 22.059 57.206 28.672 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 23.863 41.097 15.694 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 24.734 41.133 15.298 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 23.354 41.750 15.214 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 63.162 16.040 58.644 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 62.825 15.315 59.169 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 62.382 16.529 58.381 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 89.455 68.592 13.732 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 89.348 67.926 13.053 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 90.273 68.358 14.171 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 47.039 41.036 7.399 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 46.745 41.761 7.950 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 46.353 40.373 7.487 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 87.008 86.458 -16.983 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 87.618 85.800 -17.316 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 86.235 85.957 -16.720 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 73.809 23.912 8.563 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 74.321 23.352 9.146 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 73.774 23.429 7.737 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 43.828 11.401 -16.430 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 43.835 12.132 -15.812 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 43.770 10.621 -15.879 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 77.622 52.449 38.296 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 77.753 52.740 37.394 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 77.091 53.137 38.696 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 61.505 35.671 59.100 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 61.725 36.440 59.626 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 60.874 35.188 59.633 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 76.920 39.105 7.074 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 76.156 38.553 6.911 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 76.593 39.808 7.635 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 66.897 48.228 42.522 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 66.189 48.106 43.155 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 67.455 48.900 42.913 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 70.736 25.764 25.459 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 71.618 25.543 25.757 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 70.874 26.329 24.699 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 49.431 7.922 46.074 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 49.202 7.480 45.257 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 48.649 8.426 46.302 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 87.769 38.025 66.470 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 86.985 38.556 66.607 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 87.542 37.443 65.745 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 24.466 75.463 -10.370 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 24.105 75.260 -9.507 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 25.413 75.376 -10.261 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 83.388 28.353 37.171 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 82.901 28.386 36.347 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 83.504 27.419 37.343 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 32.629 69.829 44.979 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 33.558 70.048 44.903 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 32.279 69.957 44.097 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 37.935 51.474 9.334 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 38.759 51.412 9.819 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 37.794 50.593 8.987 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 76.738 22.407 -10.162 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 77.446 21.890 -10.545 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 77.093 22.720 -9.329 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 32.968 48.017 -19.257 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 32.691 47.703 -18.396 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 33.923 48.064 -19.200 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 73.970 62.972 39.223 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 74.553 63.699 39.005 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 73.134 63.207 38.821 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 49.220 6.277 16.671 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 48.340 6.082 16.994 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 49.209 7.219 16.498 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 55.950 43.909 2.063 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 55.946 42.954 2.127 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 55.312 44.197 2.715 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 70.035 80.873 -4.776 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 69.466 80.116 -4.635 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 69.866 81.136 -5.681 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 55.211 51.156 2.632 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 54.289 51.008 2.845 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 55.355 52.083 2.823 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 61.497 16.077 29.632 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 60.848 15.469 29.987 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 61.112 16.388 28.813 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 45.580 23.628 -6.550 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 46.243 23.481 -7.224 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 44.748 23.439 -6.985 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 33.586 28.761 -6.150 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 34.108 28.604 -5.363 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 33.274 29.661 -6.055 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 61.304 40.703 66.097 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 60.435 40.700 66.497 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 61.393 41.579 65.721 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 72.214 62.967 47.504 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 72.014 62.689 46.610 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 71.449 62.705 48.014 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 54.176 6.189 7.667 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 53.518 6.800 7.334 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 53.756 5.330 7.611 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 37.114 77.372 23.421 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 38.002 77.611 23.688 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 37.201 76.490 23.060 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 56.233 63.867 15.805 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 56.832 63.168 16.067 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 55.952 63.624 14.922 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 38.562 88.378 7.739 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 37.759 87.944 8.027 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 38.319 88.816 6.923 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 31.423 56.689 53.382 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 31.101 57.440 53.881 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 31.575 56.011 54.041 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 57.102 89.638 36.732 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 57.111 88.685 36.828 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 57.922 89.927 37.131 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 45.625 46.739 43.601 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 45.538 46.148 44.349 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 46.085 47.502 43.950 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 87.463 44.137 -1.582 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 87.890 43.658 -0.871 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 87.048 44.885 -1.151 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 27.688 34.705 54.820 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 27.278 35.323 54.215 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 28.250 35.248 55.373 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 60.708 59.423 50.292 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 60.200 59.521 49.487 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 60.381 58.614 50.686 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 37.610 67.137 -13.428 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 37.946 66.265 -13.224 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 38.318 67.732 -13.180 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 42.028 40.022 57.595 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 42.552 40.774 57.318 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 42.500 39.262 57.255 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 65.368 32.741 -12.437 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 66.218 33.045 -12.117 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 64.975 32.296 -11.686 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 75.400 16.943 11.085 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 75.827 16.876 11.939 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 74.550 17.341 11.272 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 74.248 71.960 -9.991 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 74.026 72.681 -9.401 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 73.711 71.228 -9.687 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 46.411 65.743 53.539 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 47.014 66.486 53.509 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 46.398 65.409 52.642 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 29.579 0.658 46.901 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 29.742 1.225 46.147 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 30.249 0.907 47.538 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 29.473 53.212 34.095 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 29.652 52.713 33.298 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 29.474 54.126 33.811 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 25.982 53.440 5.467 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 26.707 52.846 5.659 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 26.249 54.276 5.849 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 38.035 33.484 15.692 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 38.156 34.314 15.231 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 38.916 33.230 15.965 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 89.211 52.450 29.102 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 89.260 51.958 29.921 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 89.574 53.309 29.316 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 20.384 80.186 45.758 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 19.566 80.586 45.464 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 20.902 80.917 46.094 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 55.879 38.600 48.354 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 55.607 39.427 47.957 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 56.518 38.238 47.740 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 55.628 43.854 37.141 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 55.945 43.632 38.017 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 55.659 44.810 37.110 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 83.011 12.200 6.401 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 83.249 12.956 6.938 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 82.616 12.579 5.615 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 30.088 16.750 4.962 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 29.978 17.352 5.698 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 30.668 17.213 4.358 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 55.490 67.278 -14.463 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 55.871 67.402 -13.593 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 55.553 66.336 -14.620 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 84.023 16.329 5.889 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 84.726 16.944 6.093 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 84.042 16.249 4.935 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 64.572 36.893 60.566 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 64.897 36.955 61.464 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 63.651 37.146 60.626 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 42.644 77.164 15.458 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 42.882 78.029 15.123 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 43.454 76.656 15.408 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 56.343 53.649 19.213 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 55.487 53.476 19.604 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 56.643 52.795 18.904 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 72.978 26.160 -9.581 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 72.550 25.435 -10.037 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 73.313 25.771 -8.773 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 64.391 51.719 25.168 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 63.807 51.658 24.411 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 64.113 52.514 25.623 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 43.740 19.737 -5.547 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 43.555 20.084 -4.675 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 43.132 20.201 -6.123 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 46.791 37.200 -18.712 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 47.691 37.139 -18.392 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 46.735 38.070 -19.108 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 51.544 16.241 -17.384 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 52.413 16.426 -17.028 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 51.503 16.748 -18.195 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 85.072 40.788 56.156 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 84.154 41.017 56.296 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 85.562 41.519 56.534 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 66.496 42.425 -6.353 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 66.855 41.697 -6.860 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 65.590 42.171 -6.176 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 71.540 29.575 57.981 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 72.475 29.372 57.964 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 71.134 28.878 57.464 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 63.526 66.085 42.821 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 62.851 65.427 42.990 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 64.275 65.583 42.498 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 72.786 36.226 46.085 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 73.562 36.786 46.093 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 73.012 35.495 46.660 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 45.363 74.955 13.326 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 45.857 74.241 12.924 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 45.020 75.457 12.586 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 70.531 55.966 24.324 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 70.630 56.767 23.810 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 69.839 56.168 24.953 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 27.621 82.497 -9.351 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 27.432 82.365 -10.280 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 26.914 83.062 -9.041 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 56.479 35.886 -2.831 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 56.891 35.671 -3.668 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 55.721 35.305 -2.780 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 72.198 56.525 59.232 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 71.485 55.912 59.055 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 72.389 56.922 58.382 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 53.369 22.070 34.700 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 52.758 21.406 34.380 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 54.229 21.765 34.409 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 89.111 21.905 1.109 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 88.417 22.527 1.330 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 89.609 21.804 1.920 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 54.324 96.897 64.934 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 54.185 96.138 64.367 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 53.575 96.892 65.530 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 60.793 36.536 -13.091 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 60.173 37.236 -13.297 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 61.335 36.895 -12.388 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 59.378 60.154 -0.201 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 58.500 60.036 0.162 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 59.770 60.841 0.338 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 57.830 30.989 -12.698 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 57.520 31.758 -12.220 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 57.163 30.321 -12.538 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 22.969 66.877 54.729 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 22.231 66.612 54.180 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 23.280 67.692 54.336 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 64.389 19.809 -19.058 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 64.701 19.042 -18.578 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 65.128 20.418 -19.045 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 35.452 24.331 14.109 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 35.022 24.811 14.817 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 36.387 24.473 14.256 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 55.194 83.856 60.989 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 54.508 84.194 60.414 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 54.900 82.976 61.223 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 60.253 34.762 52.537 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 60.461 35.324 53.284 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 59.799 35.338 51.922 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 81.716 61.817 62.306 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 81.692 60.940 61.923 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 81.784 61.665 63.249 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 40.518 61.738 50.440 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 40.519 62.387 51.143 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 41.370 61.842 50.015 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 74.538 91.948 38.316 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 74.071 91.924 39.151 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 75.203 92.627 38.432 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 38.686 23.720 52.209 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 38.713 23.826 53.160 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 39.466 23.206 52.002 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 71.179 85.250 66.974 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 70.389 84.768 67.218 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 71.630 85.406 67.803 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 69.901 43.211 17.581 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 70.596 42.728 17.135 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 69.168 43.199 16.966 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 35.471 18.784 12.852 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 35.620 19.646 12.463 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 36.055 18.759 13.610 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 52.676 47.166 -5.335 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 53.217 46.542 -4.851 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 52.052 47.496 -4.688 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 78.655 23.646 38.946 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 78.176 24.475 38.931 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 78.833 23.489 39.873 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 60.936 28.241 20.076 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 60.710 29.096 19.709 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 60.440 27.615 19.548 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 85.330 77.247 66.024 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 86.198 77.132 65.636 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 85.483 77.790 66.797 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 31.557 49.170 36.278 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 32.513 49.151 36.310 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 31.348 49.163 35.344 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 36.839 1.763 27.967 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 36.302 1.899 27.187 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 37.067 2.645 28.259 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 66.654 96.166 40.231 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 67.077 95.692 40.947 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 67.366 96.647 39.808 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 71.951 86.319 10.504 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 72.872 86.438 10.738 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 71.971 86.026 9.593 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 77.428 39.045 16.611 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 76.603 38.641 16.880 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 77.165 39.830 16.131 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 34.896 55.423 -14.918 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 34.484 54.566 -14.813 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 35.794 55.297 -14.613 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 79.101 87.961 27.675 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 78.887 88.683 28.265 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 79.765 88.320 27.087 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 32.047 58.042 28.755 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 32.438 57.434 29.384 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 32.795 58.473 28.342 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 65.250 39.962 29.706 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 65.771 40.221 28.947 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 64.488 39.517 29.335 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 75.208 82.610 -11.139 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 75.286 83.030 -10.282 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 74.478 81.999 -11.042 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 52.622 14.780 -6.307 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 53.314 15.145 -5.756 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 52.657 13.837 -6.144 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 69.956 89.611 19.852 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 69.846 88.937 19.181 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 70.880 89.558 20.096 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 69.335 3.853 31.948 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 69.048 4.629 32.429 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 68.565 3.583 31.446 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 34.344 22.421 -10.809 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 33.896 22.778 -11.576 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 33.638 22.117 -10.238 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 88.041 43.937 38.911 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 87.212 43.536 38.651 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 88.380 43.364 39.599 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 66.264 67.889 10.101 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 65.792 67.430 10.796 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 66.436 67.215 9.442 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 30.977 26.370 -12.282 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 31.063 27.265 -11.955 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 30.873 25.835 -11.495 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 46.582 54.378 26.300 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 46.647 55.330 26.216 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 46.854 54.043 25.446 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 81.578 26.060 -10.076 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 82.093 25.273 -9.898 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 80.687 25.738 -10.211 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 59.202 43.556 -3.301 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 60.055 43.125 -3.351 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 59.400 44.489 -3.372 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 60.795 84.416 -13.096 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 60.628 84.099 -12.209 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 61.135 85.302 -12.974 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 75.727 33.741 5.731 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 76.306 33.120 5.290 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 75.165 33.195 6.281 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 54.293 58.461 18.536 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 53.668 57.805 18.226 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 53.973 58.704 19.405 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 21.361 87.376 20.191 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 21.494 86.434 20.295 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 22.055 87.775 20.716 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 79.634 77.965 20.738 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 78.959 78.265 21.347 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 79.283 77.154 20.371 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 58.175 2.070 64.868 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 58.814 1.361 64.790 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 57.542 1.753 65.512 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 39.906 95.999 9.794 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 40.757 96.279 9.457 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 39.275 96.566 9.351 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 64.695 2.297 8.441 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 63.997 2.737 7.955 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 64.891 1.515 7.925 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 23.272 67.319 8.071 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 22.450 66.828 8.077 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 23.360 67.629 7.170 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 32.544 6.248 18.506 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 33.317 6.739 18.783 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 32.895 5.457 18.097 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 73.350 19.434 60.011 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 73.450 20.308 60.389 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 73.522 19.554 59.077 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 23.277 51.526 63.225 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 22.590 50.880 63.390 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 23.266 52.090 63.998 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 47.271 60.176 10.838 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 46.913 60.368 11.704 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 48.212 60.324 10.929 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 53.838 13.333 18.120 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 53.290 14.070 18.389 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 54.243 13.026 18.931 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 20.232 56.996 2.238 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 20.679 57.123 1.401 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 20.825 56.442 2.746 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 75.778 29.030 60.474 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 75.232 29.816 60.444 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 76.246 29.032 59.640 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 42.754 30.076 45.887 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 42.235 30.869 45.747 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 43.644 30.395 46.035 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 82.485 75.204 -8.934 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 82.039 75.997 -8.638 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 81.973 74.487 -8.558 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 83.164 37.140 25.656 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 83.778 37.784 25.302 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 82.672 37.619 26.323 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 65.214 60.668 13.346 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 66.040 60.185 13.321 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 64.628 60.170 12.776 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 85.876 39.322 -15.275 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 85.317 39.988 -14.876 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 86.526 39.119 -14.602 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 75.337 70.214 7.337 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 74.488 69.818 7.139 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 75.929 69.470 7.447 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 47.128 95.191 45.536 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 47.981 94.764 45.615 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 47.108 95.526 44.640 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 34.547 58.872 7.523 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 34.679 59.761 7.851 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 35.381 58.430 7.684 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 70.531 -0.002 65.964 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 71.290 0.269 65.448 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 70.891 -0.223 66.823 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 74.114 14.521 39.543 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 74.605 13.815 39.963 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 74.768 15.198 39.369 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 67.291 53.757 18.183 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 66.543 53.254 17.861 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 66.923 54.607 18.425 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 32.378 95.822 34.909 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 32.303 96.323 35.722 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 33.082 96.254 34.425 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 45.233 85.869 8.593 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 45.768 85.191 9.006 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 45.242 85.647 7.662 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 68.601 82.888 25.773 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 68.660 83.300 24.911 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 69.344 82.286 25.803 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 44.818 15.375 -4.925 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 45.110 14.906 -4.144 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 44.037 14.901 -5.211 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 51.676 32.403 61.954 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 52.462 32.384 62.500 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 50.983 32.060 62.519 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 63.104 31.745 -11.063 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 63.089 32.553 -10.551 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 62.579 31.127 -10.554 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 57.825 82.451 58.099 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 57.021 81.941 58.201 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 57.652 83.022 57.351 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 63.069 73.220 16.854 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 63.181 72.274 16.757 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 63.425 73.587 16.045 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 32.494 64.553 50.816 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 32.755 64.744 49.915 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 32.171 63.652 50.786 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 28.410 74.987 27.645 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 29.298 75.277 27.852 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 28.393 74.065 27.901 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 21.573 32.474 34.696 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 21.922 33.198 35.216 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 22.234 32.321 34.021 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 64.341 17.881 60.590 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 64.049 18.779 60.743 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 63.904 17.622 59.779 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 42.506 2.738 2.692 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 42.609 3.039 1.789 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 41.923 1.981 2.628 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 33.531 82.650 45.191 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 33.783 81.727 45.215 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 34.119 83.043 44.546 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 46.930 9.159 -15.556 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 46.962 9.491 -14.659 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 47.792 9.363 -15.918 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 86.534 34.308 41.232 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 86.743 34.584 40.340 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 87.278 33.767 41.497 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 37.588 79.685 35.823 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 37.182 79.259 36.578 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 38.494 79.377 35.832 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 22.106 60.365 -1.610 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 22.497 60.497 -0.746 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 22.659 59.704 -2.025 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 58.961 11.039 20.503 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 58.599 11.686 19.899 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 59.720 10.679 20.043 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 75.061 63.251 47.034 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 75.408 63.600 47.855 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 74.120 63.168 47.187 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 67.977 36.918 66.758 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 68.158 36.091 67.204 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 68.596 37.539 67.144 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 55.998 15.695 -16.337 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 56.651 16.224 -15.877 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 56.494 15.241 -17.019 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 75.946 83.777 18.646 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 76.401 83.031 18.254 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 75.219 83.387 19.130 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 37.194 69.846 21.507 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 37.665 69.596 22.302 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 37.864 69.855 20.824 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 70.916 68.029 25.808 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 71.854 68.200 25.891 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 70.517 68.532 26.519 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 42.185 57.711 45.922 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 42.753 58.469 45.784 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 42.470 57.075 45.266 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 48.714 70.510 7.379 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 48.344 70.387 8.253 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 49.650 70.339 7.489 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 42.875 54.563 -10.571 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 43.279 53.840 -11.051 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 43.337 55.343 -10.878 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 80.193 75.658 -3.795 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 80.659 75.238 -4.518 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 79.359 75.190 -3.743 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 90.988 50.122 64.282 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 90.402 49.965 63.542 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 90.635 50.903 64.708 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 24.749 1.767 -2.508 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 25.522 1.595 -1.969 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 25.065 2.345 -3.203 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 86.859 35.093 48.254 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 86.199 35.783 48.330 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 86.657 34.489 48.968 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 21.210 67.878 -2.234 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 21.329 67.201 -2.900 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 21.644 68.650 -2.596 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 56.733 16.158 16.412 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 56.815 17.093 16.603 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 55.839 16.058 16.085 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 25.554 93.129 -3.817 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 25.741 92.192 -3.875 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 24.961 93.301 -4.549 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 25.225 68.647 18.864 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 25.836 69.043 19.485 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 25.383 67.706 18.938 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 89.297 73.831 63.323 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 88.715 73.078 63.219 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 89.055 74.206 64.170 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 38.915 12.428 47.149 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 39.742 11.971 46.999 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 39.139 13.357 47.090 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 42.692 45.612 50.523 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 43.609 45.723 50.777 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 42.620 46.062 49.682 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 84.336 80.784 21.627 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 84.499 80.904 22.563 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 84.283 79.835 21.513 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 61.083 13.848 65.164 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 61.635 13.067 65.204 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 60.742 13.856 64.270 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 90.209 17.553 53.170 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 89.806 18.319 52.762 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 89.487 16.936 53.289 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 87.272 96.127 15.549 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 86.316 96.117 15.577 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 87.512 95.262 15.216 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 54.714 95.847 13.672 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 55.186 95.700 14.492 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 55.290 96.418 13.163 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 26.259 90.510 43.314 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 26.006 91.428 43.405 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 27.100 90.447 43.767 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 27.245 24.674 65.575 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 27.396 24.749 66.517 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 27.384 23.747 65.383 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 76.501 35.906 -13.037 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 76.014 35.628 -13.813 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 76.377 36.855 -13.003 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 53.543 86.498 6.097 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 52.704 86.953 6.164 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 53.480 85.784 6.731 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 83.844 93.770 15.231 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 83.198 94.367 15.608 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 83.980 94.095 14.341 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 62.933 1.212 18.231 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 63.510 0.584 17.796 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 62.504 0.705 18.921 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 43.853 78.188 20.306 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 43.956 78.257 21.256 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 43.379 77.367 20.176 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 88.437 56.159 38.233 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 89.218 55.605 38.230 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 88.498 56.655 39.049 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 25.738 85.797 4.549 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 25.806 86.626 5.022 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 26.615 85.650 4.195 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 59.053 84.025 -3.118 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 59.667 83.642 -3.745 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 58.691 83.274 -2.648 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 65.142 27.987 37.898 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 65.538 27.455 38.588 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 64.743 27.351 37.304 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 45.467 11.127 6.530 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 44.642 11.585 6.368 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 46.143 11.746 6.254 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 54.035 64.122 11.516 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 54.772 63.998 12.115 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 54.376 64.697 10.831 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 69.971 38.286 -5.845 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 69.671 38.095 -4.957 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 70.622 38.979 -5.735 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 66.211 84.648 66.591 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 66.761 84.640 65.807 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 65.435 84.146 66.345 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 35.178 91.654 -5.418 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 34.660 91.182 -4.767 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 35.428 92.469 -4.981 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 59.038 94.081 26.804 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 59.262 93.816 27.697 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 59.437 93.412 26.248 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 29.262 0.543 2.586 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 29.430 1.369 2.133 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 29.943 -0.049 2.265 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 56.749 6.781 20.874 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 57.424 7.122 20.287 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 57.103 5.949 21.189 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 58.976 90.108 -11.448 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 58.832 90.216 -10.508 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 59.054 89.163 -11.572 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 58.312 -0.199 0.939 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 57.460 -0.483 1.270 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 58.398 0.705 1.242 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 79.603 57.683 54.533 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 80.273 58.112 54.000 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 80.059 56.951 54.949 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 88.256 32.703 43.095 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 87.351 32.744 43.404 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 88.553 31.825 43.335 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 69.858 31.778 36.584 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 70.420 31.967 37.335 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 70.018 32.500 35.976 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 84.444 85.449 63.844 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 85.222 84.919 63.672 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 84.696 86.017 64.572 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 39.972 50.495 -11.666 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 40.167 51.411 -11.865 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 39.898 50.466 -10.712 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 32.272 5.463 -0.373 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 32.576 6.369 -0.314 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 32.253 5.158 0.534 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 35.434 91.083 2.786 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 35.527 91.872 3.321 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 34.838 90.524 3.285 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 67.564 1.341 -19.276 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 68.066 2.107 -18.998 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 66.801 1.332 -18.698 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 65.853 74.872 -19.052 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 66.518 74.551 -19.661 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 65.162 75.222 -19.615 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 24.823 37.296 -11.826 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 25.139 37.990 -11.247 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 25.113 37.562 -12.699 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 64.066 58.033 -14.277 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 63.467 57.671 -14.930 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 63.676 58.873 -14.034 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 69.968 61.976 31.831 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 69.153 61.716 31.400 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 70.035 61.394 32.588 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 82.892 2.177 49.698 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 82.514 3.047 49.823 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 83.756 2.342 49.321 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 25.076 97.115 -13.793 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 25.798 96.767 -13.270 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 24.373 96.474 -13.688 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 57.125 75.422 25.912 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 57.401 74.505 25.921 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 56.426 75.456 25.259 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 86.662 53.429 31.272 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 85.982 54.098 31.191 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 86.618 52.941 30.449 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 50.012 37.463 -18.713 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 50.573 38.152 -18.356 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 49.904 36.843 -17.993 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 41.295 71.031 52.384 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 41.675 70.832 51.528 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 41.025 70.180 52.729 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 52.487 29.964 56.023 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 52.230 30.350 55.186 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 53.080 30.607 56.412 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 51.563 93.172 14.357 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 52.322 92.889 13.846 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 51.891 93.241 15.254 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 48.879 75.252 31.805 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 48.814 74.298 31.844 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 48.213 75.563 32.419 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 38.708 65.383 -3.153 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 38.797 66.272 -2.809 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 38.556 65.503 -4.091 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 82.538 74.457 -2.367 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 81.764 74.892 -2.726 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 82.567 73.612 -2.815 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 32.743 25.932 23.345 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 31.813 25.809 23.154 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 33.166 25.943 22.486 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 87.319 57.152 7.911 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 87.543 57.494 7.045 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 88.140 56.791 8.245 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 81.710 9.271 52.526 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 80.869 9.724 52.463 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 81.858 9.170 53.466 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 59.241 6.030 -1.060 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 59.895 6.635 -0.711 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 59.100 5.396 -0.357 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 72.959 78.901 58.115 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 73.608 78.352 57.675 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 72.116 78.573 57.805 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 61.833 90.736 -2.811 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 61.424 91.082 -3.604 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 61.128 90.267 -2.363 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 22.581 23.456 4.096 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 21.663 23.500 4.361 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 23.061 23.321 4.913 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 79.328 33.513 10.904 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 79.469 33.882 11.775 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 80.169 33.119 10.671 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 52.939 34.942 47.096 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 52.773 34.496 46.265 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 53.885 35.089 47.104 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 68.688 25.312 62.397 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 67.853 25.637 62.060 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 69.035 26.037 62.917 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 78.429 73.082 -0.359 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 78.821 73.302 0.486 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 77.494 73.248 -0.240 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 25.764 46.590 34.006 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 24.929 47.043 34.121 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 25.666 46.111 33.183 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 32.052 6.632 -8.080 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 32.728 6.689 -7.405 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 31.347 6.129 -7.671 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 87.076 44.255 48.697 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 86.325 44.119 49.275 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 87.669 43.531 48.898 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 67.991 72.116 30.798 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 67.426 71.364 30.620 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 67.387 72.854 30.885 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 37.937 84.391 -13.088 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 38.891 84.447 -13.033 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 37.635 85.285 -12.932 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 88.279 55.991 34.612 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 87.681 55.973 35.359 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 87.724 56.215 33.865 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 40.447 68.578 53.571 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 40.256 67.665 53.359 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 41.248 68.541 54.094 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 28.577 83.733 31.147 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 28.800 84.600 31.485 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 28.115 83.305 31.868 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 32.033 88.098 0.418 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 31.940 89.027 0.627 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 31.990 87.656 1.266 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 69.146 9.118 39.059 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 68.417 9.734 38.987 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 69.413 8.956 38.154 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 31.805 6.596 27.254 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 32.123 6.380 28.130 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 31.000 7.091 27.405 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 24.607 60.275 7.248 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 25.467 60.433 7.638 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 24.349 61.121 6.884 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 61.367 88.737 -0.210 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 61.993 88.073 -0.499 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 60.736 88.255 0.325 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 47.069 94.989 32.606 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 47.918 94.719 32.958 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 46.735 94.210 32.162 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 44.258 38.090 59.918 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 45.164 38.348 60.089 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 44.155 38.188 58.971 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 81.362 88.365 26.231 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 81.949 88.181 26.965 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 81.206 87.511 25.829 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 36.197 95.688 57.231 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 35.757 95.753 58.079 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 35.712 95.011 56.760 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 28.028 34.075 12.646 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 28.093 33.991 11.694 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 28.874 33.767 12.972 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 55.761 31.856 -4.319 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 55.584 32.455 -5.044 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 55.464 32.327 -3.540 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 32.886 36.201 -2.788 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 32.826 36.312 -1.839 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 33.807 35.995 -2.947 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 29.241 41.107 -10.820 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 29.167 42.058 -10.739 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 29.362 40.955 -11.758 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 49.687 78.643 -10.028 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 50.345 77.961 -10.165 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 50.189 79.409 -9.751 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 63.363 87.040 3.013 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 62.623 87.645 3.051 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 64.115 87.563 3.291 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 78.283 13.471 57.781 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 78.203 13.716 56.859 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 78.548 12.551 57.762 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 36.996 3.200 45.404 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 37.134 2.815 46.270 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 37.863 3.509 45.139 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 60.820 35.411 62.523 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 60.838 36.182 63.090 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 61.286 34.738 63.019 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 35.306 27.667 46.522 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 35.116 27.692 45.584 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 35.455 26.740 46.711 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 51.053 91.350 -7.779 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 51.117 91.393 -8.733 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 51.383 92.197 -7.478 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 71.542 74.269 -1.703 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 70.853 74.919 -1.839 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 71.791 73.995 -2.586 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 84.983 83.534 24.634 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 84.282 82.918 24.421 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 85.439 83.132 25.374 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 84.665 76.245 2.742 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 84.989 76.712 1.972 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 85.447 76.084 3.271 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 82.856 76.724 -17.398 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 83.707 77.092 -17.158 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 82.320 77.485 -17.621 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 31.201 9.150 12.412 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 31.564 8.273 12.291 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 31.957 9.734 12.350 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 74.135 19.575 -1.184 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 74.648 20.176 -0.643 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 73.644 19.046 -0.556 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 64.355 53.597 12.798 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 64.452 54.546 12.710 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 63.778 53.484 13.553 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 49.738 1.161 45.179 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 50.192 1.596 44.457 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 49.484 0.309 44.824 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 40.504 33.551 -8.510 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 40.495 33.761 -7.577 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 39.724 33.012 -8.643 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 71.056 79.703 45.789 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 70.206 79.404 46.111 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 71.649 78.972 45.961 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 57.841 82.786 19.494 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 57.990 82.842 18.550 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 57.204 83.477 19.678 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 54.528 30.925 16.487 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 54.581 31.261 17.382 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 53.617 31.070 16.230 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 25.107 55.921 62.648 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 24.509 56.457 62.127 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 25.165 55.094 62.170 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 80.362 54.564 -10.921 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 80.946 54.954 -10.271 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 80.745 53.705 -11.103 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 21.478 28.255 66.482 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 21.186 28.883 65.822 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 20.835 28.331 67.187 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 58.564 88.376 42.032 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 59.435 88.250 42.409 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 58.065 87.613 42.321 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 40.817 -0.032 -14.926 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 40.766 0.922 -14.983 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 40.366 -0.248 -14.110 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 29.579 36.470 55.985 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 29.844 37.096 55.311 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 30.386 36.012 56.218 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 48.460 14.169 -18.729 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 48.572 14.348 -17.795 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 49.253 14.518 -19.137 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 45.478 49.513 38.970 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 46.263 49.613 38.432 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 45.021 48.762 38.591 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 25.557 20.067 10.052 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 25.101 20.235 9.227 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 26.111 19.309 9.870 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 52.830 52.906 -3.261 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 53.049 52.830 -2.333 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 52.993 53.825 -3.472 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 69.008 80.211 39.208 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 68.630 81.057 39.448 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 68.762 80.090 38.290 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 50.240 4.256 62.858 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 50.458 4.153 63.785 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 51.032 3.987 62.393 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 59.149 6.066 13.738 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 58.335 5.899 13.263 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 59.698 6.541 13.115 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 43.152 15.010 -16.499 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 43.774 15.677 -16.208 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 43.144 14.365 -15.793 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 68.800 89.029 56.669 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 68.924 89.690 55.988 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 68.168 89.420 57.271 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 47.740 10.699 20.519 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 46.944 10.918 20.034 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 47.569 9.829 20.880 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 46.230 18.758 -8.077 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 46.280 18.679 -7.125 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 45.561 19.426 -8.228 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 49.926 85.146 48.615 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 49.344 85.881 48.422 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 50.095 85.214 49.554 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 46.138 89.805 19.518 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 46.735 90.401 19.064 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 45.385 89.729 18.932 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 48.238 91.972 63.161 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 48.849 91.347 62.770 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 48.294 92.745 62.600 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 49.922 47.462 63.930 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 49.012 47.167 63.910 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 50.202 47.440 63.015 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 47.649 12.893 44.605 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 47.035 12.165 44.700 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 47.120 13.676 44.758 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 41.169 91.123 -8.196 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 40.554 90.948 -7.484 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 40.871 91.952 -8.571 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 75.259 56.107 1.168 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 76.046 56.284 1.684 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 74.802 56.946 1.131 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 57.115 85.149 1.516 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 56.905 84.569 2.248 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 56.717 84.728 0.754 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 72.628 59.790 16.764 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 73.267 59.079 16.818 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 71.793 59.351 16.604 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 64.561 32.542 32.200 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 65.027 32.650 31.371 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 63.635 32.582 31.963 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 77.444 42.119 8.649 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 76.742 42.271 9.281 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 77.118 42.497 7.832 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 38.465 76.859 20.530 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 37.814 76.290 20.939 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 39.259 76.325 20.490 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 39.528 44.938 41.221 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 40.220 44.834 41.874 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 39.385 44.054 40.881 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 86.439 56.787 66.667 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 86.376 55.984 67.183 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 87.366 57.023 66.701 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 57.246 32.202 38.454 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 57.729 32.678 39.130 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 57.792 32.277 37.672 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 32.148 47.063 28.521 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 31.305 46.805 28.894 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 32.767 46.414 28.856 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 34.979 31.607 4.585 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 34.574 31.199 5.350 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 34.554 32.462 4.517 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 79.252 38.983 14.402 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 79.577 39.688 14.962 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 78.299 39.041 14.472 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 26.152 40.182 20.785 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 26.391 40.597 19.956 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 26.952 40.216 21.310 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 26.972 52.663 28.882 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 27.152 53.571 28.638 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 27.361 52.144 28.178 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 88.930 94.535 41.754 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 89.269 93.653 41.908 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 89.025 94.667 40.811 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 44.999 91.831 27.277 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 45.777 91.370 27.590 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 45.009 92.666 27.746 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 50.688 22.610 35.479 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 50.710 21.653 35.497 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 49.805 22.824 35.178 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 81.613 70.582 57.219 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 81.372 71.064 58.010 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 82.440 70.154 57.441 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 26.098 24.107 -8.486 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 25.456 24.450 -7.864 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 26.873 24.654 -8.356 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 38.025 27.406 -2.707 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 37.185 27.230 -2.285 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 38.087 28.361 -2.728 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 36.804 57.851 -18.147 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 35.992 57.365 -18.007 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 37.471 57.343 -17.685 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 49.087 55.678 4.975 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 49.316 56.088 5.809 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 49.624 56.134 4.327 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 53.437 24.572 -9.570 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 53.963 24.660 -8.775 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 52.994 23.729 -9.473 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 23.393 43.207 13.659 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 22.516 43.548 13.832 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 23.929 43.550 14.374 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 28.247 22.901 -19.876 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 27.991 23.679 -19.381 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 27.847 22.172 -19.401 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 81.406 59.693 2.416 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 81.602 58.966 1.825 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 81.383 59.295 3.286 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 71.783 18.265 41.176 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 71.474 19.106 40.840 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 71.202 17.618 40.775 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 71.805 10.174 -2.677 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 71.577 9.529 -2.007 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 71.505 11.009 -2.319 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 52.908 46.565 52.457 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 52.790 47.411 52.024 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 52.790 45.920 51.760 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 80.421 24.617 57.433 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 80.320 25.241 58.152 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 79.923 24.999 56.711 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 40.493 15.089 40.683 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 40.217 14.251 40.312 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 39.692 15.612 40.719 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 69.407 50.132 -9.309 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 69.726 49.237 -9.428 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 69.373 50.493 -10.195 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 22.425 20.932 37.729 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 21.824 20.734 37.012 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 23.295 20.892 37.332 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 36.175 46.659 23.744 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 36.608 45.849 23.476 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 36.099 46.587 24.696 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 75.620 22.980 14.287 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 76.085 23.498 14.944 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 75.887 23.359 13.450 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 88.309 67.207 56.108 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 88.206 66.260 56.015 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 87.859 67.574 55.348 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 62.843 77.980 25.214 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 62.977 77.472 26.014 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 62.701 77.323 24.533 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 37.764 84.545 -17.037 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 38.494 85.122 -16.812 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 37.254 84.476 -16.230 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 33.107 65.497 53.214 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 33.638 66.160 52.773 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 32.669 65.028 52.503 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 81.686 29.936 18.097 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 80.894 29.673 18.566 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 81.776 30.870 18.284 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 61.631 11.237 42.993 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 61.001 11.636 42.393 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 61.093 10.738 43.609 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 44.631 43.524 44.944 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 43.813 43.065 45.133 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 44.978 43.085 44.167 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 31.302 48.116 -4.537 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 32.044 48.078 -3.934 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 30.882 48.955 -4.349 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 32.073 43.301 42.742 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 32.531 43.082 41.930 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 32.111 44.256 42.789 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 35.218 28.098 43.774 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 35.663 27.363 43.353 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 34.536 28.354 43.153 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 79.268 61.836 5.890 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 78.691 61.259 6.389 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 78.719 62.171 5.181 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 45.541 52.241 47.354 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 46.041 51.468 47.616 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 45.813 52.922 47.968 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 55.032 5.012 -13.940 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 54.680 5.223 -14.804 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 55.906 5.403 -13.935 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 24.699 47.517 -7.254 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 25.067 47.256 -8.098 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 23.834 47.867 -7.468 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 86.631 50.041 8.206 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 87.082 49.703 8.980 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 87.333 50.372 7.646 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 59.459 26.168 -2.462 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 58.751 25.648 -2.843 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 59.897 25.569 -1.857 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 64.927 83.807 32.263 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 65.294 83.022 31.855 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 64.454 84.246 31.556 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 72.364 82.432 52.953 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 71.726 81.824 53.326 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 72.005 83.300 53.139 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 40.103 74.041 -12.898 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 40.611 73.397 -12.404 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 39.462 74.374 -12.270 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 58.873 66.636 56.548 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 58.609 66.894 55.665 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 58.748 67.425 57.075 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 61.851 36.979 42.338 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 61.610 37.313 41.474 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 62.683 36.527 42.198 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 46.710 13.187 -15.926 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 47.586 12.857 -16.122 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 46.238 12.428 -15.583 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 42.195 44.791 16.645 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 43.003 45.305 16.630 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 41.865 44.889 17.538 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 31.976 45.941 -6.784 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 32.010 46.429 -5.961 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 31.278 46.362 -7.284 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 88.526 28.492 46.482 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 89.075 27.722 46.630 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 88.522 28.949 47.323 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 29.715 0.060 33.868 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 29.584 0.854 34.386 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 30.548 -0.295 34.179 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 72.535 72.860 33.508 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 72.824 73.772 33.476 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 71.884 72.839 34.210 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 80.325 32.415 17.751 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 80.086 32.879 18.553 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 80.596 33.105 17.146 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 52.221 46.699 -12.134 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 51.766 46.347 -12.900 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 53.138 46.463 -12.271 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 56.878 34.090 52.404 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 56.348 34.064 51.608 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 57.781 34.134 52.090 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 66.161 63.143 -17.323 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 65.838 62.363 -16.872 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 67.025 63.300 -16.942 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 62.416 48.222 -13.947 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 62.040 47.399 -14.260 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 61.899 48.441 -13.171 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 73.543 16.057 61.672 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 73.704 16.399 62.551 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 73.466 16.836 61.121 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 77.097 61.558 -19.920 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 77.271 62.217 -20.592 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 77.343 61.982 -19.098 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 71.986 36.121 7.452 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 72.484 35.404 7.844 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 71.855 36.742 8.168 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 63.894 58.860 -2.578 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 63.050 59.077 -2.975 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 63.825 57.931 -2.361 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 74.770 12.405 -10.066 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 73.832 12.478 -9.890 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 75.189 12.658 -9.243 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 64.890 75.542 43.336 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 65.527 76.199 43.617 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 65.260 75.177 42.533 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 49.304 44.274 3.772 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 49.563 44.093 4.675 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 50.131 44.381 3.302 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 58.396 57.532 1.171 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 58.094 58.412 1.396 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 57.905 56.953 1.755 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 24.666 32.994 60.982 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 25.192 33.535 61.571 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 24.068 33.610 60.561 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 29.966 82.224 39.293 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 29.728 82.236 40.220 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 29.183 81.898 38.849 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 68.029 30.222 63.077 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 68.905 29.982 62.773 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 68.184 30.776 63.842 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 42.599 10.234 14.167 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 43.423 9.759 14.063 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 42.575 10.839 13.426 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 49.557 40.792 8.481 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 48.708 40.982 8.083 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 49.411 39.996 8.991 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 81.710 81.971 -11.145 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 82.445 82.506 -11.443 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 80.975 82.245 -11.694 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 34.209 45.375 17.480 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 34.922 45.169 18.084 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 34.025 46.302 17.634 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 59.171 35.544 8.422 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 58.510 35.343 9.084 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 59.623 36.317 8.761 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 30.938 23.632 55.114 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 30.193 23.707 55.710 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 31.549 24.308 55.407 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 36.772 69.807 -19.942 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 36.084 70.214 -19.416 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 36.966 70.451 -20.624 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 52.167 31.273 -12.913 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 52.367 31.732 -13.729 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 52.044 31.970 -12.269 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 51.743 86.106 40.994 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 51.031 85.470 41.067 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 52.440 85.634 40.538 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 77.176 60.310 8.164 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 77.578 59.603 8.669 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 77.271 61.085 8.717 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 79.308 33.913 2.246 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 78.853 34.747 2.131 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 78.642 33.250 2.063 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 67.624 42.783 8.469 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 66.667 42.764 8.465 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 67.870 42.310 9.265 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 57.276 32.284 6.571 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 56.516 32.843 6.734 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 57.944 32.605 7.177 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 59.298 4.345 16.006 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 59.390 4.734 15.136 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 59.996 3.691 16.051 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 83.792 39.752 -2.012 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 83.368 40.430 -1.486 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 83.503 38.928 -1.620 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 20.630 76.815 22.826 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 19.903 76.716 22.211 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 20.959 75.925 22.953 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 43.282 28.373 -14.615 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 44.016 28.896 -14.292 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 42.973 27.894 -13.847 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 53.368 24.313 40.004 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 53.754 23.690 39.388 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 52.862 23.771 40.609 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 58.150 3.769 22.448 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 58.115 3.538 21.519 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 59.055 3.592 22.705 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 22.384 37.474 -10.637 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 22.366 36.565 -10.340 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 23.175 37.537 -11.173 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 38.698 91.699 -1.420 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 38.414 92.384 -0.813 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 39.620 91.894 -1.586 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 63.591 35.943 -2.111 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 63.154 36.474 -1.446 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 63.591 36.493 -2.895 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 60.463 46.236 -3.474 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 61.088 46.951 -3.354 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 59.840 46.568 -4.120 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 67.081 2.889 30.421 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 66.683 3.739 30.608 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 67.152 2.863 29.466 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 88.314 56.382 30.706 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 87.808 55.671 31.098 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 88.014 57.170 31.161 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 39.753 37.944 34.705 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 40.626 38.325 34.805 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 39.673 37.773 33.766 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 63.721 62.486 -10.488 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 62.876 62.278 -10.089 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 64.254 61.704 -10.340 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 65.337 81.019 44.899 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 65.602 80.142 44.623 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 64.432 80.915 45.194 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 76.733 74.299 60.923 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 76.379 73.597 61.468 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 76.187 74.291 60.137 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 33.523 6.005 -10.097 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 33.131 6.429 -9.333 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 32.776 5.740 -10.634 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 62.498 77.297 37.146 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 62.533 77.342 38.102 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 61.793 76.677 36.961 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 61.045 74.122 5.999 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 61.459 74.791 6.544 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 60.555 73.579 6.617 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 52.963 24.436 -20.178 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 53.254 23.542 -19.998 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 52.202 24.560 -19.611 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 44.388 67.474 55.723 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 44.452 68.118 55.018 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 45.289 67.180 55.862 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 61.408 59.870 -13.370 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 60.686 59.252 -13.488 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 61.021 60.728 -13.542 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 46.494 15.064 -13.988 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 46.368 14.744 -14.881 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 46.245 14.326 -13.431 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 56.764 9.593 21.880 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 56.531 8.919 21.242 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 57.270 10.233 21.380 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 60.078 47.141 13.620 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 59.225 46.725 13.491 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 59.953 47.713 14.377 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 49.544 71.455 57.514 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 49.267 72.339 57.756 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 48.798 70.899 57.739 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 39.246 16.327 52.370 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 38.863 16.411 53.243 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 40.191 16.374 52.516 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 78.218 25.649 61.316 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 77.928 25.027 60.649 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 77.439 26.168 61.515 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 89.483 22.995 -1.709 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 89.956 23.753 -1.365 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 89.349 22.430 -0.948 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 33.782 46.064 59.102 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 32.960 46.468 59.379 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 34.110 46.637 58.409 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 67.356 73.836 5.132 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 66.939 73.669 5.978 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 68.292 73.735 5.302 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 35.253 70.255 59.118 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 34.771 69.713 58.494 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 35.060 69.866 59.972 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 51.685 20.455 20.163 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 50.927 20.734 20.676 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 51.746 21.097 19.456 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 47.927 8.581 59.510 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 47.703 7.666 59.339 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 48.883 8.604 59.476 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 71.103 27.826 19.392 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 71.468 28.534 19.922 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 71.829 27.543 18.837 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 38.855 54.763 59.566 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 39.467 54.220 59.070 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 38.561 54.201 60.283 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 57.358 71.405 46.966 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 57.412 71.052 46.078 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 58.137 71.066 47.407 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 82.748 41.739 3.144 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 83.046 41.059 3.748 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 82.476 41.262 2.361 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 79.034 26.849 65.165 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 79.446 27.636 64.810 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 79.656 26.525 65.816 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 74.819 72.461 17.217 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 74.196 72.789 16.569 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 74.764 71.508 17.142 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 87.077 18.417 51.905 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 86.871 18.342 50.973 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 87.469 19.286 51.994 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 84.790 20.048 43.323 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 84.295 20.866 43.276 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 85.147 19.933 42.442 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 84.632 24.930 -19.000 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 85.280 24.277 -18.735 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 84.929 25.227 -19.861 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 73.018 56.112 46.410 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 72.381 56.137 47.124 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 72.929 56.962 45.979 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 21.097 85.639 -7.992 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 21.535 85.763 -8.834 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 21.706 85.105 -7.481 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 41.963 57.541 18.820 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 41.747 58.103 18.077 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 42.640 58.022 19.296 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 68.330 35.625 -13.523 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 67.675 35.170 -14.052 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 69.148 35.160 -13.702 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 53.761 60.247 -11.078 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 54.708 60.389 -11.081 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 53.440 60.788 -10.358 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 86.102 78.660 45.588 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 86.229 78.060 44.852 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 85.207 78.982 45.483 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 62.790 61.718 38.671 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 61.851 61.811 38.508 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 62.912 60.784 38.843 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 36.801 6.214 43.833 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 36.889 6.440 44.759 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 36.268 6.918 43.464 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 47.298 89.329 14.939 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 46.781 88.564 15.191 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 48.196 89.102 15.180 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 21.289 41.741 22.911 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 21.955 41.054 22.903 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 21.405 42.179 23.754 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 43.891 52.372 26.983 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 43.378 52.376 26.174 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 44.753 52.051 26.718 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 30.696 12.209 44.118 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 31.284 11.532 44.453 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 31.167 13.029 44.263 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 40.899 51.135 34.774 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 41.192 51.660 35.518 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 41.115 51.664 34.006 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 42.841 28.847 -8.152 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 43.108 29.500 -7.505 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 42.578 29.360 -8.916 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 49.414 64.656 -12.551 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 49.588 64.790 -13.483 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 48.461 64.695 -12.477 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 83.091 33.301 4.811 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 83.444 33.947 5.424 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 82.169 33.538 4.718 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 54.712 12.888 20.842 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 54.722 12.293 21.592 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 53.922 13.415 20.964 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 67.614 91.801 8.635 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 67.552 90.900 8.319 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 66.786 91.955 9.089 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 42.911 24.345 -18.676 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 43.522 23.658 -18.945 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 42.120 24.175 -19.188 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 21.619 91.381 -11.347 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 20.691 91.207 -11.508 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 21.634 92.251 -10.948 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 68.847 56.669 -10.337 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 68.546 57.550 -10.111 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 68.662 56.145 -9.557 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 72.304 5.954 -17.388 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 71.678 5.983 -18.111 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 73.087 6.385 -17.731 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 39.542 79.631 63.157 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 39.923 78.759 63.059 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 38.657 79.472 63.486 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 74.298 39.944 10.056 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 73.393 39.937 10.369 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 74.528 40.872 10.009 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 85.060 42.334 66.369 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 85.527 42.156 65.553 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 84.146 42.440 66.105 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 42.759 48.570 34.811 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 42.833 49.515 34.677 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 43.657 48.247 34.741 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 89.090 43.733 21.631 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 89.529 43.467 22.439 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 89.644 44.428 21.275 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 51.649 82.260 38.707 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 51.063 81.949 38.018 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 51.905 83.138 38.426 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 37.234 62.772 2.399 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 38.073 62.993 2.802 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 37.358 61.888 2.054 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 64.151 64.284 21.629 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 63.528 64.979 21.415 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 63.615 63.493 21.689 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 21.062 45.688 39.743 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 20.274 46.218 39.621 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 21.098 45.130 38.966 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 68.632 73.175 40.463 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 68.317 72.533 39.827 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 68.329 72.844 41.309 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 23.820 30.619 39.547 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 23.072 31.005 39.090 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 23.818 29.700 39.276 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 76.859 86.089 62.573 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 77.784 86.046 62.814 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 76.862 86.363 61.656 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 21.858 78.123 54.499 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 21.960 79.071 54.422 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 21.892 77.953 55.441 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 83.481 37.187 -1.243 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 83.222 36.330 -0.902 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 84.383 37.301 -0.943 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 66.169 17.587 -5.614 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 66.144 18.304 -6.249 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 67.001 17.702 -5.155 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 55.956 13.230 50.486 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 56.761 13.429 50.007 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 55.321 13.870 50.164 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 60.932 74.459 28.131 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 61.265 73.888 28.824 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 60.423 73.878 27.566 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 47.602 53.668 60.816 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 47.481 54.205 60.033 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 48.388 53.154 60.635 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 75.750 51.881 20.924 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 75.558 51.197 20.282 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 76.191 52.565 20.421 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 27.342 43.340 26.496 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 27.035 43.660 27.344 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 26.584 42.894 26.119 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 31.377 53.749 52.986 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 30.654 54.153 52.506 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 31.166 52.815 52.996 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 37.734 29.132 12.421 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 38.343 28.428 12.646 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 36.870 28.781 12.637 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 51.767 19.127 -0.494 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 51.985 18.938 -1.407 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 52.606 19.338 -0.085 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 36.836 12.620 40.109 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 37.541 12.935 40.675 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 36.170 13.306 40.150 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 66.886 80.758 -19.112 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 66.809 80.392 -18.231 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 67.708 80.401 -19.449 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 88.852 49.032 0.758 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 88.712 49.670 1.458 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 88.000 48.959 0.326 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 61.305 89.502 -14.092 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 60.773 88.809 -14.483 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 60.689 90.218 -13.935 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 33.344 56.921 12.584 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 34.204 57.334 12.504 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 33.521 56.073 12.991 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 22.975 9.365 50.379 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 23.591 9.011 49.738 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 22.898 10.292 50.151 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 85.721 1.561 48.661 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 85.402 1.015 47.942 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 85.839 0.952 49.390 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 47.299 44.518 1.122 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 46.804 44.743 0.335 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 47.878 43.807 0.847 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 40.375 86.361 17.801 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 40.985 87.078 17.627 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 40.937 85.601 17.958 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 58.286 10.885 33.423 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 57.637 11.544 33.672 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 58.345 10.955 32.471 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 30.356 80.735 -1.082 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 30.014 80.453 -0.233 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 31.137 80.198 -1.216 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 73.110 41.727 52.559 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 72.654 40.885 52.540 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 73.538 41.749 53.415 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 80.583 19.850 3.304 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 79.694 19.872 2.951 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 80.505 19.358 4.121 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 22.504 79.038 4.339 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 22.462 79.990 4.432 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 23.431 78.827 4.454 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 80.653 52.133 -17.960 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 81.401 52.163 -17.363 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 79.917 52.451 -17.438 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 89.330 77.330 -8.261 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 89.860 77.475 -7.477 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 89.910 76.855 -8.858 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 43.983 25.747 55.224 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 43.568 25.686 56.085 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 43.254 25.713 54.604 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 73.106 59.706 -18.122 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 73.873 59.735 -17.550 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 73.449 59.905 -18.994 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 90.295 95.381 8.031 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 89.709 96.012 7.613 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 89.831 95.110 8.823 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 49.942 55.936 -4.779 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 50.038 56.033 -3.832 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 50.840 55.905 -5.109 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 87.190 57.809 58.973 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 87.880 57.148 58.928 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 87.544 58.487 59.550 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 50.878 9.281 -16.559 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 50.638 8.569 -17.151 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 50.454 9.057 -15.730 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 56.738 32.592 45.919 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 56.410 33.131 45.200 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 55.953 32.214 46.313 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 53.440 20.058 -3.837 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 52.632 19.547 -3.794 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 53.313 20.645 -4.583 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 50.851 14.917 29.221 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 51.454 14.614 28.542 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 49.982 14.814 28.833 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 56.925 -0.137 -9.019 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 56.266 -0.011 -9.703 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 57.759 0.042 -9.453 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 83.809 91.563 -10.860 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 83.928 91.378 -11.791 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 84.123 90.774 -10.417 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 29.557 37.792 23.452 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 29.922 38.562 23.889 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 30.322 37.292 23.169 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 53.344 54.662 19.672 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 52.939 54.552 18.812 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 52.827 55.348 20.095 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 20.145 47.630 15.012 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 20.810 47.105 15.458 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 20.478 48.526 15.053 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 34.470 61.383 11.179 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 35.167 61.610 11.796 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 33.719 61.169 11.733 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 87.642 36.799 29.090 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 86.695 36.874 28.970 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 87.848 35.904 28.819 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 37.657 76.709 51.139 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 37.840 77.023 50.254 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 38.201 77.257 51.705 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 53.563 35.322 64.179 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 53.776 34.407 63.997 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 52.627 35.393 63.990 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 76.773 72.775 14.656 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 75.979 72.626 15.170 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 76.646 72.254 13.863 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 85.650 80.307 40.312 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 85.933 79.456 40.648 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 84.719 80.353 40.528 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 62.037 7.950 45.367 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 62.705 7.315 45.108 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 61.385 7.433 45.840 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 30.571 82.130 -10.817 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 29.854 82.691 -11.113 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 30.791 82.460 -9.946 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 40.678 55.146 49.944 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 40.703 55.934 49.399 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 41.387 54.599 49.607 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 86.512 78.913 3.135 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 86.916 78.552 3.923 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 87.212 78.908 2.482 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 82.652 58.118 13.814 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 83.052 58.959 14.036 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 82.882 57.543 14.545 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 76.430 87.564 9.099 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 76.911 86.845 8.689 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 77.064 88.280 9.150 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 60.290 95.077 62.709 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 59.910 94.462 63.336 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 61.082 94.641 62.395 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 66.953 22.902 20.838 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 66.036 22.779 20.596 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 67.305 22.015 20.906 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 89.482 24.253 65.697 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 89.652 24.983 66.292 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 88.542 24.301 65.520 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 40.805 11.828 26.868 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 41.058 12.713 27.128 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 40.525 11.917 25.957 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 75.557 86.754 17.922 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 74.861 87.412 17.905 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 75.095 85.916 17.947 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 68.484 55.509 30.793 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 69.077 54.762 30.874 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 67.971 55.325 30.006 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 47.946 19.850 56.671 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 47.824 19.731 55.730 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 48.706 20.426 56.744 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 53.375 44.484 62.011 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 54.300 44.256 62.094 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 53.371 45.286 61.487 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 51.230 11.526 18.452 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 51.881 12.148 18.127 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 50.805 11.981 19.179 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 47.415 51.594 44.058 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 48.069 51.485 43.367 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 46.590 51.723 43.590 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 87.288 38.898 -6.334 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 87.837 39.671 -6.201 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 87.880 38.246 -6.710 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 50.776 11.732 27.584 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 50.403 11.317 26.806 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 51.292 12.463 27.242 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 53.268 12.701 47.328 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 52.738 12.124 47.878 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 54.020 12.166 47.073 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 55.807 11.020 1.077 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 56.614 10.742 1.510 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 55.177 10.328 1.278 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 59.956 30.767 -5.493 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 59.478 30.692 -4.667 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 59.345 30.443 -6.154 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 88.756 80.590 39.414 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 88.839 79.643 39.303 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 88.429 80.902 38.570 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 39.023 3.883 29.462 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 39.850 3.470 29.213 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 39.277 4.732 29.822 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 85.412 23.031 6.228 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 86.090 22.925 6.895 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 85.339 22.168 5.820 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 26.344 0.573 -9.305 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 25.982 1.328 -9.770 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 25.729 0.415 -8.588 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 77.348 35.208 47.346 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 76.733 35.767 46.870 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 78.204 35.424 46.976 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 33.419 13.752 -15.270 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 33.974 13.905 -16.035 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 32.619 14.245 -15.451 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 53.093 81.425 23.401 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 53.865 80.859 23.407 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 53.370 82.214 23.866 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 60.318 94.718 -10.008 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 60.611 94.348 -10.841 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 61.095 95.146 -9.649 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 53.199 24.001 22.484 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 53.231 23.663 23.379 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 53.139 24.950 22.588 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 90.366 71.321 37.409 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 90.659 71.447 36.506 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 91.169 71.350 37.928 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 80.874 26.281 -7.241 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 81.780 26.190 -6.947 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 80.928 26.843 -8.014 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 34.424 93.477 35.697 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 35.039 92.749 35.616 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 33.566 93.059 35.773 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 56.782 84.013 36.512 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 56.174 83.660 35.862 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 57.382 83.291 36.697 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 71.674 79.288 39.576 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 71.025 78.668 39.244 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 71.167 80.067 39.804 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 36.857 56.969 59.064 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 37.258 56.431 59.746 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 37.359 56.769 58.274 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 45.754 88.799 -1.476 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 45.863 89.349 -0.700 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 46.328 88.049 -1.321 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 46.080 28.765 36.087 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 45.197 28.602 36.419 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 45.945 29.261 35.280 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 41.219 41.825 -2.483 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 41.672 42.049 -1.670 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 41.913 41.783 -3.141 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 52.219 45.945 55.267 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 52.405 46.386 54.438 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 51.285 46.097 55.415 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 59.232 21.564 7.747 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 59.373 21.453 6.806 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 58.383 22.000 7.813 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 35.431 8.165 52.773 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 35.199 9.082 52.922 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 36.389 8.158 52.770 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 88.452 24.598 -13.369 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 89.348 24.390 -13.633 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 87.960 23.793 -13.534 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 39.978 8.351 45.659 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 39.311 8.747 46.221 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 39.791 8.696 44.786 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 65.447 10.033 -17.188 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 65.931 10.272 -16.398 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 65.153 10.868 -17.551 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 24.533 7.063 -12.185 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 24.096 6.259 -12.467 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 25.101 6.787 -11.465 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 25.584 3.271 7.401 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 24.637 3.300 7.534 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 25.813 2.348 7.508 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 56.410 93.378 29.164 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 56.033 92.631 28.698 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 56.072 94.144 28.702 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 59.468 15.922 -17.886 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 58.848 15.362 -17.419 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 60.232 15.364 -18.032 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 34.321 0.115 -6.712 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 34.271 1.028 -6.995 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 33.426 -0.213 -6.798 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 73.517 46.589 27.079 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 72.991 46.861 27.831 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 73.207 45.706 26.876 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 77.945 17.492 52.988 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 78.877 17.578 52.790 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 77.566 18.331 52.725 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 37.334 81.807 3.864 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 36.904 82.654 3.742 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 38.248 82.026 4.049 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 72.862 69.679 59.995 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 72.951 70.632 59.993 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 72.836 69.439 59.068 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 51.234 1.038 32.326 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 51.958 0.429 32.472 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 51.027 0.945 31.396 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 24.969 40.816 -2.230 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 24.256 41.180 -1.705 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 25.558 41.555 -2.380 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 56.292 88.834 30.807 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 55.753 89.618 30.914 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 56.643 88.904 29.919 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 22.919 26.289 -17.084 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 23.670 25.800 -16.749 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 23.112 26.420 -18.012 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 66.938 27.888 62.693 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 67.305 28.764 62.815 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 66.001 28.037 62.565 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 42.305 59.386 -15.577 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 41.760 59.128 -16.320 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 41.682 59.577 -14.876 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 75.275 73.751 53.218 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 75.317 74.618 52.814 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 75.896 73.222 52.717 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 66.954 12.475 12.538 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 67.894 12.646 12.474 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 66.651 13.061 13.232 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 52.238 84.811 45.103 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 52.623 85.683 45.019 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 52.788 84.251 44.555 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 23.127 19.253 5.200 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 23.894 19.742 4.901 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 23.236 19.193 6.149 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 66.694 4.169 27.872 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 66.335 4.665 28.608 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 67.221 4.805 27.388 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 26.139 23.845 -11.064 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 26.181 23.756 -10.112 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 26.756 24.548 -11.267 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 55.360 27.984 -8.720 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 55.586 28.820 -8.311 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 56.144 27.737 -9.210 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 78.966 16.900 39.011 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 78.538 17.007 39.860 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 79.771 16.420 39.206 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 58.289 16.607 -0.064 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 57.430 16.675 0.353 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 58.349 17.384 -0.620 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 34.684 85.639 -12.319 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 34.571 86.475 -11.867 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 34.937 85.881 -13.210 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 89.373 67.486 -13.796 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 88.801 68.225 -14.007 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 90.244 67.770 -14.074 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 77.679 94.936 51.895 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 76.790 94.850 52.240 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 78.226 94.462 52.522 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 49.883 13.738 35.300 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 49.052 14.114 35.011 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 49.841 13.769 36.256 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 66.024 31.354 0.532 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 66.425 31.846 1.248 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 65.116 31.655 0.512 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 77.103 19.494 -7.014 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 77.517 19.378 -7.870 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 76.949 20.437 -6.947 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 44.624 94.419 36.562 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 45.082 94.811 37.306 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 45.321 94.062 36.012 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 77.228 30.654 -13.569 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 78.038 31.164 -13.549 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 76.657 31.136 -14.168 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 76.622 96.247 20.315 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 76.605 95.336 20.609 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 75.795 96.616 20.627 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 85.401 11.722 5.397 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 85.802 12.591 5.406 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 84.471 11.886 5.557 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 74.194 8.953 53.084 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 74.293 8.434 52.286 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 73.289 8.804 53.357 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 37.876 64.006 21.834 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 37.629 63.836 20.926 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 38.370 63.230 22.099 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 75.211 10.961 0.238 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 76.141 10.873 0.445 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 74.922 10.067 0.051 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 53.862 31.100 43.625 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 53.120 30.696 43.175 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 54.548 31.148 42.959 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 61.041 77.424 29.045 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 61.903 77.495 28.635 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 60.755 76.531 28.851 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 41.209 65.879 -4.108 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 41.885 65.221 -4.269 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 40.535 65.414 -3.614 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 50.920 15.752 5.680 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 50.978 15.999 6.603 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 50.229 16.312 5.325 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 77.905 77.810 42.015 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 77.273 77.093 42.076 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 78.730 77.429 42.316 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 80.169 87.613 16.814 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 79.340 87.910 17.189 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 80.802 88.285 17.068 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 63.564 22.472 -1.292 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 64.277 21.873 -1.069 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 62.767 21.989 -1.074 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 38.375 23.155 1.616 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 38.662 23.438 2.484 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 38.477 22.203 1.627 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 64.760 45.454 -15.982 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 65.301 46.085 -15.506 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 64.925 44.619 -15.545 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 75.457 63.553 29.000 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 74.991 64.079 28.351 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 74.842 63.468 29.728 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 44.102 27.120 -5.886 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 44.075 28.056 -5.683 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 43.252 26.938 -6.287 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 70.078 37.081 36.426 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 69.825 36.721 35.576 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 71.007 37.291 36.331 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 47.504 37.241 63.277 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 47.710 37.844 63.991 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 46.676 37.564 62.921 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 59.473 50.205 59.979 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 58.705 50.700 60.265 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 60.217 50.761 60.211 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 50.348 38.093 -2.788 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 49.450 37.831 -2.585 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 50.261 38.703 -3.521 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 25.269 10.206 62.136 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 25.416 9.357 62.553 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 24.528 10.059 61.548 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 50.904 28.257 57.335 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 51.369 28.968 56.894 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 51.597 27.704 57.696 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 38.947 6.520 -4.342 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 38.199 5.941 -4.487 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 38.569 7.303 -3.941 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 79.594 54.722 49.764 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 79.031 54.486 49.027 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 80.059 55.506 49.471 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 72.547 26.512 13.662 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 72.580 25.818 14.321 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 71.781 27.034 13.901 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 66.508 13.685 65.355 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 67.444 13.849 65.236 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 66.232 14.330 66.005 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 35.920 88.025 50.557 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 36.110 88.796 51.092 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 34.970 87.918 50.619 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 76.434 48.822 37.016 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 75.611 48.772 37.501 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 77.113 48.791 37.691 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 68.089 2.094 2.433 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 68.979 2.250 2.118 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 67.611 2.893 2.212 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 68.121 88.113 -19.095 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 68.678 88.416 -18.378 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 67.587 88.874 -19.322 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 60.417 18.822 -17.425 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 60.219 17.885 -17.437 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 59.577 19.242 -17.244 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 46.311 21.375 37.576 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 45.671 22.037 37.838 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 46.543 21.607 36.678 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 46.840 44.321 30.246 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 46.654 44.572 29.342 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 47.791 44.397 30.325 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 57.212 90.908 -19.749 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 57.259 90.065 -20.199 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 56.357 90.903 -19.319 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 71.082 96.887 45.370 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 70.273 97.044 44.884 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 71.122 95.936 45.469 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 25.945 53.992 55.949 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 25.231 53.355 55.996 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 25.524 54.836 56.115 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 48.894 28.586 -12.740 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 48.421 28.444 -11.919 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 48.207 28.683 -13.399 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 79.818 74.139 4.362 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 79.263 74.275 5.130 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 80.015 73.202 4.371 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 27.162 22.726 61.578 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 26.487 23.199 61.092 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 27.936 23.286 61.522 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 57.119 27.268 8.797 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 56.287 27.644 9.083 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 57.719 28.013 8.756 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 82.530 44.903 8.776 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 83.214 45.534 8.557 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 82.951 44.292 9.381 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 74.292 45.584 30.654 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 73.776 45.891 29.909 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 73.662 45.524 31.373 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 77.086 36.179 13.715 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 76.441 36.666 14.229 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 76.823 36.319 12.805 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 88.032 30.962 61.783 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 88.260 31.873 61.965 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 88.359 30.804 60.898 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 67.916 72.790 26.763 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 67.066 72.394 26.959 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 68.184 72.386 25.938 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 86.778 44.063 25.082 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 85.955 43.948 24.607 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 87.104 44.916 24.794 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 80.952 39.717 43.829 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 80.454 40.497 43.586 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 81.356 39.425 43.012 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 45.320 4.532 44.373 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 44.962 3.769 44.828 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 46.051 4.817 44.921 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 42.778 68.111 -13.741 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 42.255 67.577 -13.143 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 43.246 68.721 -13.170 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 37.376 38.845 8.366 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 37.923 39.624 8.265 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 37.347 38.693 9.311 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 74.126 12.821 -1.240 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 74.091 13.633 -0.734 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 74.620 12.215 -0.688 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 76.240 94.089 36.357 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 75.979 93.835 37.242 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 75.422 94.340 35.928 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 75.866 2.674 -1.616 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 75.000 3.081 -1.580 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 76.148 2.791 -2.523 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 82.495 32.910 27.051 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 83.034 33.663 26.809 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 82.399 32.978 28.001 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 77.657 35.436 -5.331 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 78.010 34.869 -6.017 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 77.657 36.311 -5.719 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 67.696 94.802 33.874 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 67.460 95.478 33.239 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 67.797 94.006 33.352 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 61.692 56.671 38.662 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 60.835 56.251 38.587 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 62.295 56.064 38.234 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 33.704 89.380 -17.358 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 33.467 89.541 -16.444 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 34.611 89.677 -17.426 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 69.403 79.352 51.457 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 69.424 78.547 51.974 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 68.637 79.254 50.892 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 86.989 71.977 24.587 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 87.168 71.981 23.647 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 87.789 71.632 24.982 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 38.577 47.970 -8.362 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 38.825 48.593 -7.679 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 37.688 48.226 -8.609 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 39.777 80.640 -6.657 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 39.814 81.259 -5.928 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 40.124 79.824 -6.297 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 54.127 16.552 2.668 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 53.418 17.178 2.813 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 54.686 16.638 3.440 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 23.392 22.979 13.522 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 23.326 23.576 12.777 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 23.485 22.112 13.128 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 39.310 86.829 41.574 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 40.199 86.483 41.648 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 38.921 86.337 40.851 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 44.307 12.665 62.202 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 44.876 12.187 62.806 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 44.043 12.012 61.554 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 28.805 31.922 66.630 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 28.784 31.002 66.365 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 28.008 32.041 67.146 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 66.104 40.024 4.951 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 65.494 39.321 5.172 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 66.692 40.078 5.704 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 71.326 48.907 16.332 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 70.633 48.290 16.566 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 71.095 49.205 15.452 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 44.804 14.332 55.184 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 44.070 14.279 55.795 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 45.144 15.220 55.293 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 58.898 88.794 50.151 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 57.946 88.709 50.202 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 59.213 87.899 50.025 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 86.755 23.568 65.539 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 86.207 24.334 65.369 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 86.191 22.975 66.035 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 73.551 1.142 60.161 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 74.012 1.501 60.919 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 73.235 0.288 60.455 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 65.106 33.769 51.304 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 64.240 33.833 51.705 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 64.982 33.181 50.558 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 80.122 46.056 -5.362 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 80.975 46.404 -5.100 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 79.642 45.954 -4.540 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 83.305 47.407 60.812 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 82.417 47.358 61.164 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 83.694 48.167 61.245 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 24.599 23.616 36.820 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 24.307 23.833 37.705 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 25.466 24.015 36.749 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 54.190 83.904 56.696 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 53.619 83.377 56.136 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 53.677 84.051 57.491 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 56.407 26.649 -10.766 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 56.334 26.458 -11.701 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 56.148 25.835 -10.333 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 89.954 2.783 -16.354 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 89.193 2.797 -15.774 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 89.584 2.794 -17.236 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 86.737 46.646 24.002 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 87.272 46.734 23.213 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 86.049 47.303 23.899 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 32.841 77.296 18.501 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 32.087 76.874 18.912 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 32.648 78.232 18.549 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 75.931 26.604 8.661 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 76.024 25.854 8.073 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 75.499 26.248 9.437 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 33.065 36.948 -0.002 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 33.715 37.107 0.682 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 32.888 36.009 0.049 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 79.283 84.324 0.985 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 79.770 85.057 0.608 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 78.793 83.957 0.250 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 74.840 54.944 -15.427 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 74.481 54.093 -15.175 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 74.727 55.492 -14.651 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 41.721 33.257 -13.797 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 41.814 32.866 -12.928 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 40.890 32.916 -14.126 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 44.001 6.053 18.253 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 43.583 5.243 18.547 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 43.368 6.446 17.653 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 68.703 23.780 27.227 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 68.740 24.131 26.337 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 68.835 24.541 27.791 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 38.479 91.326 4.506 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 38.401 91.946 3.781 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 38.969 90.589 4.140 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 38.500 87.455 29.869 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 39.237 86.977 29.487 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 37.875 86.773 30.115 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 68.618 42.150 5.989 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 68.493 42.976 5.521 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 68.457 42.368 6.907 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 54.807 50.694 -12.247 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 55.498 50.046 -12.385 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 54.069 50.371 -12.765 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 53.284 34.421 -17.193 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 52.734 33.830 -16.680 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 53.276 34.052 -18.076 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 39.811 28.468 35.101 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 40.403 28.830 34.441 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 38.950 28.482 34.684 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 43.169 39.701 -7.577 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 42.398 39.948 -7.067 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 43.904 39.829 -6.977 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 21.884 89.417 -13.030 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 22.704 89.820 -13.315 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 21.625 89.919 -12.257 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 61.867 12.686 53.278 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 62.209 13.580 53.275 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 61.973 12.386 52.375 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 63.757 19.005 50.457 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 63.301 18.214 50.745 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 63.096 19.695 50.511 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 54.815 31.368 4.626 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 54.725 31.401 5.578 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 54.444 32.196 4.321 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 37.158 86.651 58.234 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 37.284 86.021 58.945 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 37.359 87.500 58.628 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 29.233 60.875 55.691 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 28.331 61.072 55.440 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 29.152 60.345 56.484 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 70.651 38.379 -15.277 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 71.555 38.068 -15.233 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 70.185 37.695 -15.758 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 60.674 21.933 55.676 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 60.816 22.831 55.375 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 60.372 21.464 54.898 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 80.535 54.665 36.275 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 79.661 54.342 36.056 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 80.870 55.028 35.455 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 69.775 68.933 28.441 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 69.566 68.181 28.995 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 68.926 69.236 28.117 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 43.519 61.401 65.944 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 43.364 61.014 65.082 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 42.711 61.875 66.143 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 21.416 9.267 -10.151 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 20.760 9.861 -10.517 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 21.135 9.129 -9.246 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 81.954 39.097 9.495 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 81.846 39.891 8.971 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 81.286 38.497 9.163 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 34.273 32.566 25.758 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 34.614 32.274 26.603 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 34.526 31.875 25.146 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 86.498 51.566 39.283 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 87.094 52.140 39.764 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 86.624 51.803 38.364 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 34.148 19.511 42.770 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 33.703 20.222 43.230 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 34.189 19.803 41.859 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 68.812 66.864 -1.203 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 68.430 66.156 -1.721 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 69.548 67.177 -1.728 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 58.175 49.623 -16.041 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 59.011 50.067 -15.901 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 57.596 49.984 -15.369 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 37.880 28.210 -15.113 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 37.143 28.772 -14.874 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 37.474 27.425 -15.481 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 31.424 52.020 -7.839 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 32.168 51.459 -8.057 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 30.678 51.612 -8.278 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 56.513 60.681 48.640 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 56.327 59.745 48.714 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 57.382 60.721 48.240 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 69.031 65.377 21.654 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 69.581 65.549 20.890 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 68.185 65.766 21.433 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 68.671 7.965 35.452 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 69.087 7.471 34.745 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 69.390 8.444 35.865 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 66.830 19.568 29.882 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 66.501 20.435 29.647 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 67.713 19.538 29.515 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 32.801 41.447 -5.784 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 32.323 40.665 -5.507 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 33.402 41.133 -6.459 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 77.938 54.000 35.806 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 77.327 53.706 35.131 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 77.551 54.808 36.144 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 33.492 15.176 -9.759 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 33.321 16.118 -9.782 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 34.437 15.100 -9.895 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 84.241 90.035 57.427 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 83.487 89.881 57.996 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 84.348 90.986 57.424 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 59.520 32.227 4.130 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 60.265 32.234 3.530 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 59.594 33.050 4.614 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 73.202 37.175 22.707 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 73.517 38.064 22.544 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 72.453 37.075 22.119 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 40.705 46.594 30.634 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 40.698 47.206 29.898 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 41.510 46.089 30.518 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 46.530 44.734 27.769 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 46.478 43.829 27.463 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 46.005 45.230 27.140 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 54.764 55.327 -7.252 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 54.145 54.629 -7.467 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 54.575 55.542 -6.338 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 70.316 46.439 49.141 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 69.392 46.191 49.149 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 70.784 45.627 49.335 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 48.582 74.955 63.776 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 47.676 75.197 63.583 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 48.911 74.586 62.956 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 50.574 26.503 -0.434 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 51.322 26.474 0.162 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 49.813 26.592 0.139 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 45.255 57.858 5.451 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 46.057 57.662 5.936 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 44.548 57.610 6.048 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 24.971 21.584 49.878 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 25.746 21.778 49.350 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 25.146 20.721 50.253 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 50.668 48.016 44.150 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 51.386 48.353 44.687 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 50.812 47.070 44.124 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 44.121 57.635 -3.084 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 44.874 57.878 -2.546 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 44.496 57.138 -3.811 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 28.818 89.343 30.015 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 28.861 90.063 30.644 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 28.998 89.753 29.169 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 44.158 -0.039 64.715 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 44.226 0.468 63.906 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 43.713 0.546 65.328 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 29.749 27.894 33.645 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 29.262 27.897 32.821 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 29.300 27.245 34.186 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 79.623 41.437 35.065 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 79.714 41.679 34.144 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 78.772 41.790 35.324 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 73.305 78.106 48.869 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 74.250 78.111 48.712 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 73.085 79.023 49.033 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 74.104 63.827 52.890 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 73.336 63.951 53.448 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 74.346 64.711 52.616 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 30.173 14.092 4.827 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 30.116 14.947 5.253 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 29.393 13.623 5.123 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 72.185 60.536 22.944 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 71.523 59.848 23.015 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 72.244 60.904 23.825 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 41.795 51.585 -17.641 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 41.157 52.146 -18.081 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 42.646 51.934 -17.908 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 79.485 96.463 49.186 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 79.228 95.976 49.969 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 78.676 96.550 48.681 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 71.136 18.150 -0.648 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 70.194 18.292 -0.554 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 71.420 17.845 0.214 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 68.027 44.569 -7.368 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 67.502 45.370 -7.391 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 67.445 43.911 -6.989 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 41.154 28.073 10.518 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 41.356 28.259 11.435 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 41.863 27.500 10.227 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 86.295 70.636 2.460 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 86.371 69.693 2.603 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 86.429 70.748 1.519 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 32.105 29.228 -10.937 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 31.562 29.173 -11.724 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 31.732 29.955 -10.439 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 85.681 11.378 51.059 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 85.139 11.640 50.315 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 86.577 11.568 50.781 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 55.466 55.925 51.180 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 54.935 55.236 50.782 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 55.977 56.284 50.455 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 90.385 54.851 29.606 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 89.720 55.495 29.850 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 91.067 55.363 29.171 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 28.635 35.064 66.578 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 28.594 34.115 66.457 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 28.864 35.406 65.714 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 23.870 24.224 39.397 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 23.185 23.556 39.394 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 23.431 25.017 39.704 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 64.182 85.711 21.694 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 63.665 86.371 22.157 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 64.499 86.160 20.911 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 23.839 39.375 -4.478 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 24.062 39.733 -3.618 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 23.754 38.433 -4.331 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 30.931 19.147 43.644 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 31.301 18.810 42.828 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 31.002 20.098 43.565 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 20.533 46.268 57.457 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 20.045 45.511 57.780 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 21.402 45.923 57.250 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 83.270 29.167 -17.736 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 82.691 29.749 -18.230 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 84.148 29.373 -18.059 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 50.351 59.941 11.704 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 50.772 59.513 12.449 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 50.194 60.838 11.999 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 47.240 31.977 3.197 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 47.920 31.638 3.780 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 47.277 32.927 3.312 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 53.688 85.921 36.163 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 54.545 86.291 35.951 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 53.270 85.781 35.314 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 89.567 10.521 62.557 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 89.617 9.825 63.212 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 90.274 11.122 62.792 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 61.004 41.250 62.655 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 60.534 40.667 63.251 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 60.735 40.967 61.781 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 40.903 35.289 6.857 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 39.995 35.262 6.553 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 40.931 34.664 7.582 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 62.842 90.964 25.015 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 63.521 90.532 24.496 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 63.323 91.420 25.707 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 58.399 63.324 26.198 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 58.652 62.617 25.604 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 57.446 63.373 26.120 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 67.020 60.167 -19.038 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 67.010 59.255 -19.328 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 67.927 60.448 -19.159 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 76.348 43.667 22.018 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 75.491 43.306 21.792 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 76.731 43.023 22.613 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 62.382 58.128 20.852 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 62.233 57.444 20.199 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 61.508 58.345 21.176 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 62.454 85.808 8.789 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 62.428 84.853 8.744 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 62.933 86.073 8.004 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 65.924 75.579 17.135 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 65.986 75.862 16.223 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 65.691 76.373 17.617 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 71.067 40.397 34.532 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 70.617 40.737 33.758 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 70.364 40.072 35.094 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 69.632 60.157 27.753 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 69.935 60.488 28.599 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 68.821 60.636 27.585 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 50.841 56.526 56.676 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 51.076 57.236 57.274 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 49.932 56.320 56.893 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 68.997 93.806 13.832 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 69.048 93.763 14.787 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 69.125 92.902 13.544 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 68.486 17.510 -14.555 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 68.219 17.532 -15.474 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 68.142 18.324 -14.186 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 89.900 55.358 -8.236 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 89.075 55.627 -8.639 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 90.152 56.102 -7.688 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 34.904 60.803 50.853 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 34.710 60.778 49.916 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 35.830 61.041 50.900 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 87.392 68.050 21.817 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 86.656 68.104 22.426 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 87.202 67.282 21.278 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 58.307 67.353 53.926 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 58.332 66.596 53.340 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 57.492 67.803 53.703 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 47.601 15.193 35.323 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 46.875 14.907 34.768 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 47.515 16.145 35.359 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 40.281 38.573 6.886 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 41.056 38.131 6.538 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 40.044 38.064 7.661 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 82.528 33.176 13.916 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 82.868 32.339 14.232 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 81.953 32.942 13.188 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 70.173 55.875 51.904 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 69.601 55.219 51.506 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 69.639 56.669 51.941 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 79.087 46.188 -2.863 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 78.299 45.799 -2.485 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 78.957 47.132 -2.771 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 43.400 57.447 62.721 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 44.104 57.812 62.185 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 43.851 56.997 63.436 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 50.565 31.466 53.167 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 50.320 31.972 52.393 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 51.129 30.770 52.830 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 29.625 90.743 23.553 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 28.976 90.175 23.138 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 29.681 90.426 24.454 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 41.781 51.270 -9.264 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 40.961 51.720 -9.062 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 42.418 51.974 -9.381 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 37.327 77.179 -2.424 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 37.005 76.806 -3.244 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 38.076 76.632 -2.189 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 46.778 60.515 13.443 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 46.453 61.207 14.019 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 47.428 60.051 13.970 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 27.031 44.750 23.456 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 27.679 44.720 22.752 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 27.514 44.485 24.239 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 76.070 14.657 -14.292 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 76.075 13.793 -13.880 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 75.361 14.612 -14.934 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 45.828 72.703 53.310 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 45.456 72.583 52.436 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 46.425 73.445 53.217 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 26.796 41.474 18.340 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 26.886 42.257 18.883 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 27.404 41.614 17.614 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 56.641 47.660 24.092 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 55.821 47.257 23.807 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 57.295 47.336 23.473 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 83.863 39.018 49.913 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 83.763 39.598 50.668 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 84.183 39.587 49.213 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 66.366 64.273 10.197 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 65.528 64.413 10.639 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 66.233 63.481 9.676 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 80.748 75.448 23.879 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 79.829 75.472 24.149 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 81.195 74.993 24.592 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 35.832 40.752 40.477 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 36.096 39.848 40.644 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 35.049 40.677 39.931 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 65.464 86.115 17.502 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 64.757 85.535 17.785 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 65.182 86.437 16.646 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 55.576 41.837 -18.179 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 56.254 42.502 -18.050 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 55.017 42.195 -18.868 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 63.014 27.046 28.179 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 62.132 26.879 27.847 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 63.561 27.094 27.394 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 84.994 46.565 2.227 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 84.110 46.302 2.483 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 85.391 46.893 3.034 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 39.626 55.966 29.087 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 40.453 56.114 28.627 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 39.644 56.586 29.816 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 52.554 3.900 56.427 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 52.500 2.949 56.520 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 51.647 4.182 56.309 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 56.490 19.560 50.688 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 57.331 19.812 50.307 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 56.685 19.392 51.610 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 35.771 63.550 -15.388 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 36.550 63.111 -15.045 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 36.054 63.922 -16.224 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 28.269 55.263 29.950 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 27.914 54.400 30.163 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 27.766 55.548 29.187 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 26.118 84.077 15.797 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 26.285 84.024 14.856 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 26.986 84.041 16.198 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 23.748 57.964 49.248 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 23.852 58.693 49.859 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 24.303 58.195 48.503 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 69.663 84.684 19.358 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 69.312 83.854 19.680 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 69.340 84.748 18.459 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 52.149 52.378 17.116 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 52.664 51.710 17.570 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 51.449 51.889 16.685 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 54.808 72.156 9.750 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 54.646 72.518 10.621 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 55.136 71.272 9.915 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 76.367 66.589 38.912 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 76.412 67.445 38.487 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 76.252 66.789 39.842 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 53.987 37.856 65.032 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 54.647 38.088 64.379 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 53.752 36.951 64.825 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 84.929 24.331 63.194 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 84.552 23.789 62.501 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 85.055 25.188 62.786 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 89.123 46.908 5.809 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 89.768 47.003 6.510 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 89.013 47.793 5.463 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 86.318 79.621 -3.174 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 85.931 79.559 -2.300 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 86.076 78.800 -3.603 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 41.865 80.240 53.895 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 42.693 80.681 54.087 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 41.968 79.911 53.002 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 31.086 44.529 2.748 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 30.346 44.034 3.100 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 31.055 44.368 1.805 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 86.716 72.399 28.991 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 86.729 71.473 29.232 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 87.639 72.634 28.892 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 24.163 57.413 6.943 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 24.185 58.345 7.161 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 24.135 57.391 5.987 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 58.578 96.359 59.189 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 58.667 96.190 60.127 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 58.391 95.502 58.807 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 31.613 53.178 59.922 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 31.652 53.121 60.877 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 32.365 53.721 59.684 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 29.172 41.875 29.958 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 29.893 42.131 30.532 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 29.340 42.341 29.139 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 68.680 44.136 -13.586 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 68.361 44.751 -14.247 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 68.080 43.392 -13.641 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 23.183 48.138 5.029 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 23.017 48.123 4.086 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 23.402 49.051 5.219 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 49.599 79.513 15.453 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 48.974 79.456 16.176 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 49.269 80.227 14.907 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 76.391 66.163 -8.041 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 75.665 65.605 -7.760 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 76.940 66.251 -7.262 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 42.989 50.679 -12.723 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 43.168 51.541 -12.349 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 42.631 50.171 -11.994 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 70.064 67.626 55.780 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 69.331 67.189 55.345 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 70.685 67.812 55.075 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 87.668 60.548 59.660 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 88.181 60.585 58.852 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 88.262 60.161 60.303 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 59.691 91.336 39.114 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 60.598 91.460 39.396 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 59.748 91.220 38.166 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 40.634 92.080 33.952 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 41.345 92.287 34.558 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 41.050 92.065 33.090 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 71.945 1.141 22.071 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 71.757 2.016 22.410 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 71.444 1.086 21.258 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 54.956 22.194 55.745 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 54.290 22.672 55.251 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 55.789 22.544 55.428 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 69.081 4.351 -6.719 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 68.194 4.280 -7.074 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 69.584 4.778 -7.413 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 44.411 66.208 59.968 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 44.634 65.476 60.543 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 45.199 66.752 59.956 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 43.735 57.985 -8.311 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 43.814 58.735 -7.721 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 42.970 57.507 -7.990 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 50.470 24.636 -17.962 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 50.592 24.712 -17.016 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 50.030 25.449 -18.213 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 88.481 82.066 -0.850 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 88.853 82.343 -0.012 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 88.312 81.130 -0.739 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 55.269 68.500 -0.484 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 54.681 68.678 0.250 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 55.232 67.550 -0.597 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 49.533 2.183 14.589 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 49.466 3.114 14.377 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 50.092 2.153 15.365 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 75.328 55.565 43.358 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 74.440 55.893 43.214 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 75.745 55.618 42.498 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 56.615 64.513 23.167 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 56.508 64.574 22.217 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 56.343 63.621 23.382 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 74.907 42.305 34.237 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 74.307 42.686 33.596 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 74.336 41.895 34.887 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 58.811 57.492 27.159 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 57.991 57.470 26.664 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 58.734 56.770 27.783 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 37.401 48.742 22.437 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 36.933 48.069 22.931 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 37.713 49.355 23.103 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 65.337 65.821 39.369 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 65.019 66.694 39.136 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 64.557 65.267 39.341 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 74.780 3.795 32.580 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 73.875 3.735 32.275 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 75.306 3.746 31.782 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 40.350 62.105 65.093 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 39.830 61.741 65.810 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 40.557 62.996 65.375 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 36.452 24.914 60.036 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 35.574 24.852 59.659 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 36.881 24.097 59.783 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 47.607 20.829 23.497 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 47.437 21.333 24.293 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 46.781 20.380 23.316 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 74.345 71.033 -5.347 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 74.042 70.505 -4.608 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 74.908 70.443 -5.849 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 76.710 86.296 58.654 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 75.982 85.889 59.124 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 77.045 85.603 58.085 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 59.962 13.490 58.155 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 60.529 12.802 57.808 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 60.480 13.900 58.849 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 23.608 96.051 -3.537 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 23.894 96.911 -3.231 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 23.251 95.626 -2.757 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 87.125 25.080 15.833 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 86.305 25.480 15.543 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 87.268 24.356 15.224 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 80.920 37.388 13.057 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 80.302 37.861 13.615 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 81.503 38.067 12.717 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 47.395 51.447 18.623 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 48.306 51.317 18.886 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 47.360 52.354 18.318 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 46.855 54.486 -19.331 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 47.610 55.074 -19.351 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 46.569 54.494 -18.418 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 68.775 39.116 26.465 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 68.078 38.464 26.393 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 69.115 39.203 25.574 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 71.264 64.785 23.471 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 70.424 65.105 23.142 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 71.617 64.256 22.755 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 90.716 23.512 60.947 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 89.787 23.471 61.173 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 91.091 24.123 61.580 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 50.175 62.132 13.406 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 50.749 62.815 13.753 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 49.619 61.887 14.145 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 40.814 4.370 25.843 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 40.639 3.431 25.916 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 39.998 4.740 25.507 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 81.292 69.483 -7.764 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 80.701 70.075 -8.230 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 80.960 68.608 -7.962 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 89.474 78.222 59.903 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 89.259 79.125 60.137 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 89.299 78.170 58.963 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 33.051 30.305 38.532 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 32.588 30.727 39.256 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 32.711 30.734 37.747 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 82.111 28.744 -5.789 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 82.775 28.057 -5.730 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 82.501 29.408 -6.357 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 44.688 16.706 -15.040 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 45.239 17.259 -15.594 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 45.286 16.355 -14.380 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 53.731 32.530 57.437 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 54.661 32.751 57.385 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 53.338 32.966 56.681 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 55.583 24.844 41.624 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 54.710 24.644 41.284 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 56.020 25.303 40.907 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 48.456 72.512 67.205 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 48.420 72.362 66.260 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 48.905 71.742 67.553 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 75.360 0.751 8.451 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 74.536 1.215 8.598 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 76.014 1.269 8.920 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 89.998 4.011 3.941 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 89.509 3.286 4.331 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 89.404 4.759 3.997 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 87.169 56.660 1.881 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 87.916 56.107 1.654 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 87.183 57.361 1.229 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 85.167 89.991 46.139 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 84.263 90.293 46.052 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 85.373 89.602 45.289 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 26.003 66.367 23.194 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 26.012 66.404 22.238 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 26.880 66.066 23.431 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 29.841 52.869 10.825 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 29.661 53.769 10.555 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 30.788 52.842 10.956 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 51.066 41.255 60.501 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 51.954 41.592 60.622 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 50.498 41.960 60.812 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 62.365 43.185 -19.761 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 62.606 43.377 -18.854 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 62.956 43.726 -20.285 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 34.029 95.774 29.952 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 34.761 95.680 29.343 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 33.374 96.275 29.464 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 83.968 63.083 6.063 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 83.911 62.443 5.353 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 83.848 62.567 6.860 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 33.086 87.890 50.508 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 33.086 87.446 49.660 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 32.415 87.436 51.017 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 36.162 73.549 62.422 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 36.211 74.504 62.380 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 35.556 73.308 61.722 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 57.394 39.098 -5.238 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 58.193 39.389 -4.798 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 56.746 39.028 -4.537 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 68.891 21.056 65.111 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 69.720 20.818 65.526 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 69.051 21.921 64.734 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 36.573 15.435 6.318 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 36.638 15.644 5.386 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 35.652 15.211 6.450 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 73.605 42.887 12.710 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 72.830 43.436 12.594 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 73.263 41.994 12.748 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 29.562 85.230 -3.977 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 29.581 84.502 -3.355 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 28.835 85.778 -3.683 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 26.245 96.166 29.548 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 25.642 95.710 28.961 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 25.727 96.883 29.914 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 89.045 19.674 -10.479 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 89.732 20.169 -10.033 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 88.506 20.341 -10.904 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 33.481 62.939 17.300 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 34.171 62.746 16.664 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 33.513 62.208 17.917 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 28.724 86.681 65.676 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 28.507 87.492 65.216 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 29.675 86.714 65.785 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 42.599 94.276 30.683 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 41.829 94.538 31.188 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 42.251 94.026 29.827 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 75.781 66.280 1.696 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 75.745 65.658 0.969 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 76.268 65.821 2.380 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 74.685 92.932 4.334 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 75.216 92.243 4.733 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 73.792 92.587 4.353 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 71.615 76.890 14.253 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 71.233 76.759 13.385 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 71.410 77.800 14.470 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 56.424 73.533 7.617 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 56.543 72.765 8.177 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 55.490 73.732 7.679 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 64.227 50.910 28.309 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 63.331 51.063 28.010 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 64.776 51.213 27.585 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 71.473 58.652 65.125 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 70.840 58.395 64.454 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 71.623 57.853 65.631 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 83.436 57.596 25.737 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 82.861 58.342 25.565 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 84.191 57.974 26.189 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 31.937 91.598 52.223 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 32.664 91.440 51.620 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 31.516 92.390 51.889 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 50.124 38.028 56.152 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 50.446 38.915 55.995 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 49.195 38.141 56.351 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 83.737 93.088 36.102 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 84.288 92.620 35.474 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 82.844 92.947 35.789 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 71.972 84.253 61.966 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 72.113 83.586 61.294 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 72.852 84.537 62.212 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 57.626 38.957 56.734 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 57.634 39.725 57.305 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 57.674 39.317 55.848 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 54.119 61.622 20.055 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 54.842 61.529 19.435 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 54.046 60.763 20.470 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 59.447 80.112 29.114 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 59.927 80.655 29.740 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 60.007 80.089 28.338 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 59.176 13.026 53.874 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 60.128 12.962 53.795 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 58.851 12.187 53.548 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 74.012 38.386 -7.539 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 73.304 38.975 -7.277 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 73.720 37.520 -7.255 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 57.465 20.075 66.090 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 58.357 19.955 65.762 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 57.372 19.416 66.778 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 48.090 3.114 8.410 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 47.378 2.704 8.902 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 48.807 2.482 8.455 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 31.397 89.427 18.981 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 32.295 89.101 19.046 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 31.107 89.511 19.889 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 39.100 9.221 22.615 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 39.134 9.608 21.741 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 39.099 8.277 22.460 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 24.028 23.165 1.920 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 23.588 23.392 2.739 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 23.943 23.949 1.377 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 51.602 88.120 42.810 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 52.127 88.835 42.450 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 51.653 87.429 42.150 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 37.524 52.850 57.396 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 36.896 52.860 56.674 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 38.329 52.507 57.009 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 28.387 0.691 -6.447 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 28.769 0.877 -5.590 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 28.273 -0.260 -6.457 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 25.557 19.500 45.142 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 25.358 20.236 44.563 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 25.473 18.726 44.585 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 84.485 22.117 60.746 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 84.678 21.336 60.229 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 84.388 22.816 60.100 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 85.729 40.614 -12.260 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 86.620 40.944 -12.139 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 85.511 40.203 -11.423 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 55.874 94.135 38.864 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 55.273 93.898 38.158 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 56.705 94.308 38.423 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 69.622 70.060 33.431 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 69.194 69.331 32.982 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 68.907 70.536 33.853 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 37.924 9.302 34.555 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 38.681 9.866 34.396 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 37.211 9.909 34.757 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 87.835 89.247 33.713 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 88.378 88.896 33.007 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 87.016 88.756 33.653 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 73.882 67.510 27.193 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 73.689 66.762 27.759 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 73.194 68.145 27.391 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 75.447 21.649 -16.625 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 75.574 20.938 -17.253 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 76.327 21.992 -16.469 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 82.025 74.509 21.615 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 81.752 74.837 22.472 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 82.380 73.638 21.794 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 58.434 76.644 -8.682 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 58.702 76.008 -8.019 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 58.197 77.425 -8.183 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 26.210 13.370 -19.472 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 25.587 12.652 -19.361 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 25.690 14.162 -19.333 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 87.576 0.630 53.209 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 87.155 1.469 53.018 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 87.386 0.088 52.443 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 50.550 6.564 8.687 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 51.002 6.659 7.849 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 49.662 6.294 8.452 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 38.341 53.347 -17.336 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 38.937 53.785 -17.944 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 37.601 53.076 -17.879 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 54.344 6.336 -17.004 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 54.312 7.110 -17.567 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 54.971 5.754 -17.432 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 63.307 83.636 -7.903 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 63.994 83.479 -8.551 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 63.238 84.589 -7.851 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 29.235 40.692 47.003 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 29.660 40.739 47.860 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 29.081 41.605 46.761 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 84.381 17.843 60.101 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 84.037 18.355 60.834 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 85.272 18.171 59.978 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 27.636 12.415 -16.710 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 27.532 11.494 -16.472 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 27.220 12.490 -17.569 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 28.526 22.035 51.736 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 28.021 21.286 51.420 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 28.489 21.964 52.690 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 21.581 34.327 4.705 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 20.854 34.402 5.323 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 22.103 33.596 5.036 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 30.618 26.257 -6.099 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 30.321 27.146 -5.903 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 30.908 26.296 -7.010 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 52.836 7.124 10.464 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 52.481 8.011 10.517 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 52.205 6.643 9.929 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 67.551 6.478 -1.915 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 68.134 7.218 -1.743 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 67.810 5.815 -1.275 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 81.825 15.457 -0.602 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 82.043 16.275 -0.154 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 81.712 14.820 0.104 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 75.196 89.836 58.756 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 74.531 89.353 59.248 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 74.799 90.692 58.594 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 81.036 94.291 2.671 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 80.224 94.463 2.194 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 81.597 95.039 2.468 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 34.504 69.532 -11.494 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 33.759 69.541 -10.894 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 35.256 69.322 -10.939 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 22.960 50.953 -12.158 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 22.776 51.881 -12.013 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 22.126 50.514 -11.994 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 21.592 41.650 -7.963 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 21.896 40.763 -7.771 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 21.898 42.174 -7.223 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 88.980 32.694 -6.148 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 88.355 32.510 -5.447 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 89.349 31.839 -6.372 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 23.254 23.975 56.266 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 22.839 23.151 56.521 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 23.845 24.180 56.990 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 52.578 5.758 52.606 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 52.154 6.284 53.284 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 53.433 5.536 52.974 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 33.856 48.439 -3.046 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 34.044 47.901 -2.277 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 34.642 48.972 -3.164 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 66.123 44.234 62.067 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 66.227 43.283 62.022 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 66.150 44.521 61.154 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 36.457 48.994 20.062 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 36.644 48.821 20.984 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 37.308 48.928 19.628 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 67.339 19.554 15.866 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 66.569 19.804 15.354 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 67.288 18.600 15.925 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 22.732 70.592 -15.812 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 23.100 69.776 -16.153 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 23.382 71.259 -16.033 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 68.378 84.000 23.423 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 67.746 84.718 23.384 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 69.203 84.389 23.134 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 68.206 55.176 22.928 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 68.058 56.112 22.791 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 67.373 54.849 23.270 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 52.504 78.655 4.861 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 53.172 78.020 5.118 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 51.744 78.123 4.628 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 82.666 16.188 -3.668 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 83.078 16.092 -2.809 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 81.727 16.149 -3.489 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 83.286 30.918 31.305 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 82.614 30.874 31.985 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 82.803 31.105 30.501 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 23.353 4.751 46.517 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 24.258 4.488 46.684 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 22.874 3.925 46.439 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 33.120 26.543 26.210 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 33.418 26.089 25.423 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 33.683 27.315 26.270 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 28.981 70.899 30.594 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 29.785 70.517 30.945 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 28.531 71.257 31.359 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 85.388 12.336 43.934 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 85.887 13.119 43.698 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 85.940 11.606 43.653 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 38.700 90.210 56.346 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 38.631 90.872 55.658 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 39.064 89.442 55.905 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 53.193 8.566 48.777 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 52.868 7.788 49.228 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 54.027 8.292 48.395 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 27.190 27.697 26.440 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 27.649 28.345 26.974 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 27.875 27.093 26.154 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 64.543 4.424 35.846 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 65.094 4.079 36.548 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 64.837 3.961 35.061 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 61.337 3.825 58.414 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 60.671 3.141 58.477 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 61.089 4.463 59.084 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 73.383 86.551 39.962 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 73.780 85.871 39.417 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 73.525 87.362 39.474 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 38.337 67.876 -18.098 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 37.570 68.278 -18.507 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 38.814 67.475 -18.824 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 46.871 96.364 64.557 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 46.986 95.448 64.306 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 45.944 96.542 64.399 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 53.255 38.051 -0.288 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 52.735 38.325 -1.043 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 52.643 38.080 0.448 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 33.623 94.335 14.398 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 34.223 93.597 14.285 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 33.185 94.420 13.551 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 54.642 7.151 56.784 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 54.377 6.619 56.034 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 55.571 6.954 56.902 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 22.838 54.897 -6.565 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 21.911 54.667 -6.624 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 22.853 55.853 -6.620 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 29.898 1.498 -16.565 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 30.289 2.272 -16.159 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 29.774 1.744 -17.481 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 65.824 72.081 3.722 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 66.530 72.547 4.169 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 65.028 72.543 3.983 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 76.890 48.244 21.735 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 77.229 48.251 20.840 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 76.103 48.788 21.698 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 51.590 -0.093 18.797 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 51.444 0.840 18.950 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 50.875 -0.527 19.262 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 65.189 37.847 39.749 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 65.227 37.760 38.796 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 65.970 38.353 39.974 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 34.575 20.401 66.510 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 35.254 20.068 67.097 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 34.792 20.029 65.655 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 36.489 64.475 24.224 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 37.001 64.387 23.420 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 36.972 63.965 24.873 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 78.267 52.036 -2.198 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 77.923 52.120 -1.309 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 77.562 52.355 -2.760 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 26.093 19.612 13.505 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 26.309 19.256 14.367 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 26.753 20.288 13.352 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 87.391 60.846 36.910 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 87.668 60.930 37.823 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 87.452 59.908 36.727 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 51.431 40.894 -5.895 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 51.094 41.781 -6.023 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 52.184 41.005 -5.315 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 27.126 9.521 -16.329 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 27.413 8.611 -16.250 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 26.542 9.654 -15.582 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 36.051 83.551 51.595 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 35.850 83.952 50.750 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 35.278 83.724 52.133 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 81.541 89.802 4.319 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 81.574 90.146 3.427 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 82.028 90.440 4.841 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 77.708 69.584 67.045 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 76.794 69.360 66.870 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 77.927 69.095 67.838 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 69.788 33.296 12.321 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 68.958 33.487 12.756 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 69.902 32.351 12.425 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 89.711 56.785 -14.632 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 89.826 55.851 -14.804 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 89.235 57.113 -15.395 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 80.789 59.837 60.124 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 80.182 59.663 60.843 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 80.325 60.459 59.563 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 58.492 14.757 6.945 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 57.947 14.089 6.528 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 57.949 15.103 7.653 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 62.646 8.579 66.719 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 62.990 8.943 67.534 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 62.053 7.882 66.999 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 60.412 23.618 67.429 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 60.784 24.420 67.796 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 59.766 23.923 66.793 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 64.554 78.132 20.081 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 64.270 77.226 20.200 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 65.211 78.089 19.386 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 82.426 23.938 -16.395 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 81.967 23.657 -17.186 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 83.299 23.554 -16.476 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 90.693 84.361 4.392 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 90.028 84.960 4.053 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 90.299 83.985 5.179 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 60.276 8.055 29.683 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 60.869 8.760 29.422 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 60.854 7.322 29.897 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 71.013 28.722 -18.633 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 70.214 29.195 -18.865 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 71.371 28.430 -19.472 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 61.370 0.441 -1.258 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 61.226 1.382 -1.357 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 62.271 0.368 -0.943 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 74.291 91.031 31.464 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 74.110 90.518 32.252 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 73.431 91.174 31.069 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 28.166 94.361 -16.148 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 28.791 94.883 -15.645 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 27.422 94.242 -15.558 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 30.053 1.811 -4.756 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 30.019 2.749 -4.947 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 30.841 1.703 -4.224 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 75.364 32.283 38.686 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 76.113 31.729 38.905 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 75.032 32.583 39.533 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 84.805 11.708 39.349 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 84.776 11.808 38.398 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 84.375 12.494 39.687 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 51.000 90.331 15.761 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 50.783 91.233 15.999 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 50.843 90.287 14.818 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 75.219 18.669 -3.761 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 74.952 18.491 -2.859 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 76.098 18.298 -3.828 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 21.957 33.340 44.809 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 22.123 32.409 44.660 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 22.445 33.545 45.607 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 77.551 50.282 25.348 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 76.781 49.813 25.028 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 77.686 49.948 26.235 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 67.212 79.026 54.088 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 67.019 79.937 54.311 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 66.401 78.696 53.703 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 90.651 27.447 60.735 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 89.912 26.839 60.750 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 91.424 26.884 60.695 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 79.755 36.360 19.855 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 79.013 35.757 19.821 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 79.697 36.860 19.041 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 76.311 64.141 -10.548 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 76.146 64.937 -10.043 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 75.444 63.758 -10.682 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 80.113 10.238 -19.616 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 79.428 10.500 -19.001 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 80.230 9.301 -19.459 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 31.685 37.950 -5.490 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 32.464 38.300 -5.921 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 32.021 37.281 -4.894 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 70.612 47.563 -14.036 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 71.531 47.626 -14.297 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 70.596 46.863 -13.384 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 31.216 29.394 64.928 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 31.709 28.687 65.344 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 31.465 30.179 65.415 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 34.778 44.329 15.057 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 35.645 43.929 15.125 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 34.555 44.572 15.956 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 88.166 36.867 26.157 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 88.474 36.663 27.040 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 88.598 37.692 25.937 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 49.793 46.636 -15.698 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 50.652 47.051 -15.619 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 49.542 46.432 -14.797 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 65.399 18.472 42.958 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 65.418 19.424 42.862 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 66.265 18.184 42.670 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 23.949 70.194 -19.103 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 23.242 70.823 -18.955 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 24.382 70.116 -18.253 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 54.293 32.114 11.974 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 54.438 31.180 12.125 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 53.792 32.405 12.736 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 81.759 5.740 -19.389 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 81.916 6.603 -19.771 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 81.967 5.847 -18.460 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 88.454 26.043 -5.129 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 88.326 26.647 -4.397 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 87.572 25.887 -5.468 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 75.692 29.311 34.641 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 75.173 29.726 33.952 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 75.778 29.985 35.315 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 69.756 38.130 16.504 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 69.887 38.557 15.658 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 69.013 37.543 16.364 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 79.819 45.711 1.183 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 79.989 46.652 1.225 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 79.306 45.595 0.384 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 75.257 15.165 -18.057 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 75.286 14.565 -18.802 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 74.963 14.624 -17.324 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 86.607 86.057 3.800 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 87.232 85.333 3.764 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 85.913 85.747 4.382 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 60.241 23.927 33.939 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 61.071 23.692 34.354 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 60.146 23.302 33.221 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 55.973 56.777 66.011 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 55.777 55.996 66.528 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 55.115 57.122 65.763 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 76.428 28.184 -3.595 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 76.736 29.004 -3.210 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 77.224 27.673 -3.739 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 24.944 44.746 65.708 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 24.389 44.988 66.449 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 25.382 43.943 65.988 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 59.134 45.972 49.280 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 59.393 45.131 49.658 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 59.106 45.812 48.337 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 60.913 89.753 19.811 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 61.306 90.145 20.591 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 61.396 88.937 19.683 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 32.205 55.182 -19.193 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 31.438 55.677 -18.903 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 31.857 54.328 -19.448 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 53.921 7.220 38.171 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 54.140 7.330 37.246 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 53.280 7.908 38.350 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 53.873 15.415 47.475 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 53.866 14.493 47.216 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 54.757 15.716 47.266 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 40.951 56.789 11.205 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 41.422 57.354 10.592 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 41.639 56.336 11.692 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 31.704 41.657 -13.483 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 32.000 42.531 -13.226 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 31.549 41.204 -12.654 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 54.005 21.719 64.040 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 53.680 20.996 64.577 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 53.506 22.481 64.335 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 48.508 1.556 40.434 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 47.552 1.597 40.406 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 48.793 2.441 40.208 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 34.847 19.678 39.939 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 35.333 20.054 39.204 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 35.228 18.808 40.058 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 77.147 82.308 45.118 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 77.723 81.580 44.884 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 76.377 82.193 44.561 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 80.446 45.636 4.991 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 80.367 45.217 5.848 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 79.993 46.473 5.091 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 80.195 76.726 -11.713 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 80.426 77.460 -11.145 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 80.985 76.563 -12.228 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 62.547 9.198 15.873 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 62.981 9.148 16.725 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 62.015 8.403 15.828 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 74.430 30.856 50.659 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 73.814 30.137 50.515 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 74.876 30.961 49.819 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 71.899 54.162 10.223 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 71.317 53.557 9.763 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 71.415 54.407 11.012 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 39.673 30.675 -7.381 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 38.848 31.159 -7.334 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 40.018 30.704 -6.489 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 47.622 22.073 -5.398 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 46.737 22.165 -5.749 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 47.645 21.188 -5.033 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 45.045 13.492 45.099 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 44.567 12.695 45.329 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 44.392 14.050 44.677 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 75.968 52.021 -0.234 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 75.550 51.203 -0.501 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 75.689 52.150 0.672 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 46.587 26.676 56.251 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 46.654 27.630 56.269 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 45.659 26.503 56.094 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 86.078 69.131 -17.626 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 85.893 70.067 -17.697 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 86.915 69.086 -17.165 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 60.973 45.607 64.925 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 61.804 45.720 65.387 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 60.555 46.467 64.968 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 51.071 19.455 23.849 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 50.312 19.542 24.426 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 51.155 20.312 23.432 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 82.757 11.651 2.438 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 82.710 10.735 2.163 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 83.676 11.891 2.317 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 25.879 94.194 38.978 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 25.997 93.350 38.542 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 26.755 94.432 39.281 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 90.262 34.224 23.798 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 90.673 34.595 23.017 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 90.064 33.319 23.558 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 41.205 67.996 8.966 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 41.919 68.598 9.177 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 41.099 67.464 9.755 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 20.014 8.564 45.472 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 20.731 7.975 45.708 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 19.983 8.535 44.516 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 63.286 31.730 12.284 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 63.757 32.472 11.904 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 62.450 32.098 12.570 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 54.184 52.785 57.433 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 53.802 53.590 57.083 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 53.984 52.811 58.368 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 53.118 58.043 65.579 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 52.492 57.440 65.176 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 52.947 57.973 66.518 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 90.215 37.876 59.750 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 89.466 38.143 59.217 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 89.963 38.098 60.647 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 35.284 50.682 4.153 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 35.635 49.830 3.892 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 36.056 51.198 4.385 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 72.879 94.589 13.960 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 73.414 94.730 14.741 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 73.497 94.646 13.231 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 64.930 21.031 17.973 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 64.950 21.066 17.017 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 64.691 21.919 18.240 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 51.334 59.126 9.311 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 51.134 59.402 10.205 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 52.284 59.216 9.239 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 22.475 50.589 35.733 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 22.496 51.016 34.876 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 21.543 50.523 35.944 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 69.657 16.278 30.646 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 69.769 16.523 29.727 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 69.000 15.582 30.630 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 78.875 69.610 40.884 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 78.825 68.790 40.393 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 79.488 70.151 40.386 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 75.428 29.834 42.798 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 75.286 28.921 43.047 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 74.815 29.984 42.078 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 76.035 54.411 16.944 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 75.389 54.010 17.526 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 76.367 55.162 17.436 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 74.736 36.880 39.742 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 74.289 37.568 39.249 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 74.762 36.134 39.142 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 40.247 92.026 67.673 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 40.864 91.413 67.274 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 39.591 92.184 66.994 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 56.321 15.902 9.050 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 56.025 16.361 9.836 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 56.459 14.999 9.336 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 84.340 65.443 33.026 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 84.787 66.040 33.626 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 83.894 66.017 32.403 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 52.592 73.416 3.044 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 53.111 72.618 3.146 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 52.706 73.884 3.871 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 32.013 2.833 32.748 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 32.358 2.035 32.347 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 31.119 2.902 32.413 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 73.795 33.419 59.134 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 74.060 32.682 58.584 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 72.902 33.620 58.853 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 22.450 49.189 17.674 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 22.524 49.724 18.464 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 23.235 49.398 17.168 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 33.296 95.915 65.888 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 32.618 95.253 65.760 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 34.120 95.432 65.822 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 36.316 25.202 21.715 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 35.985 26.093 21.604 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 35.971 24.723 20.962 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 62.391 46.413 15.428 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 62.676 47.221 15.854 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 61.450 46.370 15.599 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 19.931 82.884 1.837 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 20.616 82.305 1.504 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 20.342 83.349 2.566 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 90.235 46.706 12.253 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 90.762 46.748 13.051 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 89.347 46.523 12.561 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 50.234 18.636 65.385 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 50.289 17.789 64.940 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 49.563 19.118 64.901 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 56.725 25.684 65.785 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 57.491 25.966 65.286 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 56.907 24.770 66.007 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 56.669 4.768 45.705 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 56.589 5.712 45.566 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 57.348 4.681 46.375 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 29.072 85.103 41.561 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 29.162 84.168 41.746 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 28.369 85.153 40.913 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 33.730 79.176 41.693 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 34.033 79.964 42.145 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 34.449 78.945 41.105 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 74.845 40.161 26.506 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 74.813 40.706 25.720 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 73.975 39.767 26.560 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 77.016 54.525 -0.302 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 76.630 53.656 -0.191 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 76.265 55.108 -0.410 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 54.063 14.086 3.962 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 53.704 14.830 3.479 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 54.968 14.336 4.151 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 37.296 55.559 13.943 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 38.153 55.161 14.095 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 37.026 55.882 14.803 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 79.937 48.653 20.935 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 79.188 48.147 20.619 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 79.839 48.657 21.887 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 48.979 76.950 -2.429 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 48.904 77.576 -3.150 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 49.823 77.150 -2.024 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 46.247 6.303 -12.936 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 47.022 6.749 -12.596 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 45.511 6.831 -12.626 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 57.259 19.257 61.849 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 56.523 19.866 61.790 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 57.108 18.777 62.663 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 59.276 45.360 15.889 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 59.343 45.169 14.954 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 59.392 44.511 16.317 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 23.213 21.380 -17.734 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 23.907 21.997 -17.966 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 22.502 21.578 -18.344 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 35.724 36.060 53.597 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 34.803 35.883 53.789 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 35.960 35.410 52.935 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 72.853 49.047 31.684 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 71.926 49.239 31.545 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 73.273 49.907 31.722 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 40.379 41.119 23.629 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 41.220 41.331 23.224 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 40.551 40.329 24.141 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 41.356 50.256 54.248 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 41.983 49.716 53.767 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 40.858 50.710 53.568 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 81.581 39.162 24.110 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 81.862 38.262 24.274 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 80.625 39.126 24.149 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 55.008 49.710 24.998 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 55.705 50.311 25.263 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 55.440 48.858 24.932 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 85.532 50.462 24.334 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 84.833 49.847 24.111 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 85.642 50.996 23.547 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 71.265 88.649 55.264 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 70.728 88.664 56.057 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 72.110 89.003 55.540 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 55.332 23.317 52.795 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 55.594 23.823 52.025 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 54.956 22.513 52.437 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 24.671 65.824 28.690 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 24.092 66.573 28.826 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 24.759 65.757 27.739 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 63.863 33.834 6.692 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 63.337 34.609 6.887 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 63.515 33.156 7.272 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 59.520 88.104 -8.224 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 59.609 88.755 -7.527 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 58.653 88.268 -8.596 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 79.658 76.547 -17.037 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 80.059 77.401 -17.202 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 79.422 76.568 -16.110 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 32.802 79.179 -0.899 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 33.003 78.330 -0.505 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 33.649 79.516 -1.190 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 54.510 7.692 32.232 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 53.792 8.311 32.095 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 55.004 7.714 31.412 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 79.150 72.552 8.803 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 79.420 72.423 9.712 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 79.049 71.666 8.455 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 71.110 74.599 40.028 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 70.901 75.465 39.678 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 70.316 74.083 39.882 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 41.643 62.693 -15.619 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 41.145 63.477 -15.388 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 41.951 62.350 -14.781 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 47.269 27.482 -10.973 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 46.914 27.798 -10.142 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 47.686 26.648 -10.754 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 57.611 15.494 42.907 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 57.824 15.210 42.018 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 57.221 16.361 42.795 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 21.423 35.362 -16.235 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 21.230 36.176 -15.770 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 20.965 35.449 -17.071 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 68.237 57.348 18.158 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 67.327 57.057 18.216 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 68.532 57.046 17.299 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 87.493 53.597 19.974 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 86.879 53.236 20.613 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 87.196 54.496 19.836 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 38.126 39.797 4.188 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 38.424 39.673 5.089 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 37.462 39.120 4.060 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 30.725 47.942 13.302 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 31.358 48.654 13.207 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 31.254 47.145 13.265 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 37.021 35.582 21.514 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 37.230 36.516 21.484 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 37.039 35.303 20.599 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 89.640 63.580 53.307 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 89.115 63.726 54.094 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 89.920 64.455 53.040 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 87.747 51.085 -4.403 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 86.888 51.503 -4.341 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 87.567 50.221 -4.773 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 65.821 84.690 40.784 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 65.993 84.952 39.880 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 65.123 84.039 40.717 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 80.615 45.534 60.847 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 79.702 45.698 60.611 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 80.677 45.800 61.764 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 88.237 25.056 41.777 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 87.882 24.416 42.393 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 89.082 24.693 41.514 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 37.893 68.374 38.928 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 38.393 69.182 39.049 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 38.473 67.808 38.418 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 30.332 21.736 47.655 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 30.004 20.862 47.867 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 30.889 21.604 46.888 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 33.658 28.231 35.988 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 33.844 27.315 35.781 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 34.267 28.446 36.694 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 88.829 42.276 40.700 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 88.328 41.530 41.032 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 89.729 42.104 40.977 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 86.090 25.067 56.344 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 86.302 25.788 56.937 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 85.224 25.287 56.000 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 44.853 67.152 -15.549 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 44.511 66.352 -15.949 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 44.094 67.549 -15.120 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 39.826 89.176 43.080 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 39.131 89.203 43.738 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 39.607 88.423 42.530 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 23.634 73.229 -17.485 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 24.441 72.715 -17.464 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 23.540 73.565 -16.594 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 78.526 63.360 39.872 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 78.293 63.797 39.053 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 77.692 63.052 40.225 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 58.929 24.818 36.039 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 59.444 24.571 35.272 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 58.020 24.696 35.768 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 26.971 54.217 14.810 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 27.810 54.414 14.393 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 26.965 53.264 14.897 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 35.956 7.594 -0.033 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 36.585 8.315 -0.072 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 36.476 6.834 0.227 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 84.113 8.750 38.515 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 83.720 9.611 38.662 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 83.405 8.224 38.144 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 79.104 4.527 34.701 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 78.792 3.812 35.256 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 78.306 4.955 34.391 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 28.568 40.263 67.131 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 29.383 39.793 66.951 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 28.123 40.305 66.285 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 84.686 60.989 16.956 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 84.705 61.885 17.293 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 85.489 60.910 16.441 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 77.565 50.722 62.162 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 77.419 49.956 62.716 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 77.119 51.437 62.617 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 34.633 41.854 49.009 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 35.130 42.308 49.689 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 34.693 42.427 48.245 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 47.125 63.333 49.097 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 48.004 63.057 48.836 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 47.052 64.233 48.780 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 60.790 40.071 59.795 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 60.526 39.678 58.964 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 61.586 40.561 59.587 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 37.628 64.902 -0.730 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 38.097 65.539 -0.191 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 38.210 64.740 -1.472 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 73.768 85.628 21.863 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 73.083 85.228 21.328 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 73.781 86.546 21.591 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 43.914 40.244 -14.841 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 44.406 40.587 -14.095 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 43.126 40.786 -14.879 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 33.342 25.156 16.370 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 33.597 26.004 16.007 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 32.927 25.367 17.206 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 86.439 31.946 22.931 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 87.370 31.727 22.881 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 86.202 31.777 23.843 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 72.933 18.766 1.468 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 73.169 19.662 1.710 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 72.680 18.353 2.293 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 38.381 46.234 57.004 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 37.936 45.416 56.780 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 39.292 45.979 57.152 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 42.190 58.368 57.538 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 42.040 57.694 58.201 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 41.516 58.209 56.877 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 29.579 44.033 60.789 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 29.400 44.857 61.243 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 30.228 43.593 61.337 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 43.504 83.646 30.093 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 44.413 83.526 30.370 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 43.566 84.149 29.280 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 58.158 41.689 23.983 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 57.616 42.044 23.279 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 57.570 41.115 24.473 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 29.749 10.169 66.797 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 30.036 10.776 67.480 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 29.263 9.492 67.267 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 62.587 10.243 0.403 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 62.932 10.906 -0.196 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 63.286 10.111 1.043 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 75.107 96.372 50.196 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 75.839 96.232 49.596 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 75.082 95.579 50.732 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 68.147 30.368 33.685 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 67.477 29.748 33.397 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 68.154 30.288 34.639 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 78.744 70.324 -15.724 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 78.982 70.914 -15.008 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 78.407 69.542 -15.288 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 67.099 34.209 -15.684 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 67.420 33.344 -15.941 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 66.349 34.366 -16.258 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 86.914 92.917 64.142 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 85.988 93.054 64.343 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 87.171 93.698 63.651 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 33.091 43.294 -11.872 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 33.339 43.613 -11.004 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 32.484 43.954 -12.206 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 68.828 1.779 56.088 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 69.117 1.312 56.872 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 69.565 2.346 55.861 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 65.014 23.802 65.989 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 65.475 23.048 66.357 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 65.283 23.822 65.070 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 30.420 68.236 2.401 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 30.268 67.351 2.733 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 29.758 68.773 2.837 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 32.159 47.660 -13.924 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 32.875 48.272 -13.754 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 31.396 48.219 -14.072 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 26.925 63.666 7.403 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 26.421 62.855 7.470 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 26.641 64.188 8.154 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 65.040 60.876 43.434 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 64.852 60.088 43.945 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 64.386 60.871 42.735 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 20.846 77.268 41.006 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 21.036 76.341 41.147 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 21.581 77.588 40.482 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 25.417 36.273 28.559 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 25.977 37.045 28.637 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 25.997 35.588 28.225 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 56.188 42.318 22.156 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 56.793 42.024 21.475 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 56.093 43.258 22.003 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 53.113 81.656 28.138 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 52.364 82.173 27.841 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 52.755 80.782 28.294 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 83.223 56.607 16.142 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 83.200 56.943 17.038 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 82.878 55.716 16.211 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 64.235 95.535 17.631 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 65.099 95.527 18.042 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 63.644 95.203 18.307 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 66.113 30.665 21.031 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 66.777 29.978 21.086 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 65.298 30.196 20.850 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 89.769 75.667 26.388 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 88.824 75.650 26.234 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 90.139 75.998 25.569 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 27.405 70.721 46.724 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 28.286 70.999 46.974 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 27.522 69.838 46.375 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 71.035 96.826 -10.839 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 71.061 95.960 -10.432 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 70.201 96.846 -11.309 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 72.890 59.918 -14.674 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 72.779 60.635 -15.299 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 72.117 59.966 -14.113 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 82.172 70.792 13.317 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 82.916 70.366 12.890 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 81.703 70.078 13.750 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 33.860 51.700 -5.887 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 34.641 51.925 -5.381 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 33.171 52.256 -5.524 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 72.158 29.921 21.043 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 71.394 30.045 21.606 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 72.444 30.809 20.829 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 26.706 73.416 -2.872 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 27.007 72.511 -2.793 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 27.451 73.885 -3.249 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 87.654 49.621 17.298 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 87.372 49.262 18.140 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 86.975 49.347 16.682 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 66.226 69.518 38.562 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 66.886 69.113 38.000 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 66.260 70.449 38.341 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 34.329 66.017 -7.605 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 35.212 65.668 -7.484 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 33.798 65.253 -7.827 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 55.409 65.724 54.826 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 55.740 64.957 55.293 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 54.582 65.433 54.441 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 88.445 75.430 13.008 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 89.114 76.076 13.237 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 88.412 74.842 13.763 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 90.213 63.303 29.598 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 90.127 64.253 29.679 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 89.702 62.953 30.327 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 57.237 74.598 66.022 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 57.916 74.018 65.676 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 56.579 74.637 65.329 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 70.641 32.042 -17.287 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 70.137 31.408 -17.798 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 70.989 31.537 -16.552 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 22.415 36.857 3.698 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 23.353 37.016 3.592 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 22.361 35.969 4.052 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 78.981 59.790 11.663 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 78.913 59.637 12.606 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 79.808 59.378 11.413 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 70.908 39.487 23.723 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 70.461 39.018 23.019 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 70.490 40.348 23.741 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 35.001 28.756 25.482 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 35.502 29.282 26.105 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 35.531 28.761 24.684 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 73.274 3.137 -1.473 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 72.967 3.591 -2.258 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 72.936 2.246 -1.563 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 63.917 36.086 18.473 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 63.466 35.988 19.312 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 63.224 36.008 17.818 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 65.344 69.179 -1.918 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 64.441 69.434 -1.730 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 65.526 69.558 -2.778 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 54.263 26.993 -1.028 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 53.589 27.672 -1.001 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 55.068 27.462 -1.247 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 37.971 82.044 66.353 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 38.088 81.470 67.110 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 37.178 81.719 65.926 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 51.691 3.291 29.948 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 50.890 2.767 29.929 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 52.034 3.173 30.834 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 40.164 27.772 64.875 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 40.821 27.403 65.465 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 40.310 28.717 64.914 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 26.410 94.078 34.222 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 26.925 94.519 34.897 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 26.104 94.784 33.653 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 63.382 28.787 57.686 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 62.943 29.490 58.164 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 62.929 27.990 57.962 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 82.261 89.571 54.050 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 82.754 88.847 54.436 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 82.734 89.782 53.246 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 54.166 67.956 46.768 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 54.413 68.840 47.042 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 53.941 68.046 45.842 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 54.726 72.566 47.497 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 53.854 72.473 47.113 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 55.296 72.057 46.922 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 65.110 59.931 30.196 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 64.247 59.539 30.063 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 64.970 60.597 30.869 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 72.296 71.832 56.330 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 72.530 71.088 56.885 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 71.343 71.781 56.250 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 86.603 83.666 37.500 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 85.815 83.149 37.668 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 87.296 83.016 37.383 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 49.489 70.686 25.948 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 50.221 70.652 25.333 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 49.380 69.782 26.242 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 57.026 85.041 11.059 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 56.332 84.469 11.388 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 56.660 85.923 11.121 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 34.896 51.497 56.032 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 34.008 51.852 56.073 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 34.834 50.645 56.463 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 73.773 43.360 20.603 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 73.800 44.278 20.874 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 73.563 43.392 19.670 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 26.345 86.114 28.701 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 25.774 85.559 29.232 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 27.121 86.249 29.245 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 67.293 94.130 -10.732 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 66.557 93.762 -10.242 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 67.895 93.395 -10.848 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 72.280 41.644 67.226 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 72.603 42.239 67.902 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 71.766 42.200 66.641 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 32.874 89.313 47.193 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 33.583 89.580 46.609 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 33.012 88.375 47.326 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 40.367 12.392 3.402 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 40.339 12.127 2.483 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 39.843 11.734 3.858 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 51.550 55.444 -11.044 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 51.025 55.970 -10.440 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 51.857 56.069 -11.701 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 62.681 48.780 49.771 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 62.793 48.826 48.821 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 61.737 48.679 49.897 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 46.254 79.668 63.339 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 46.745 79.899 62.550 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 45.339 79.658 63.057 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 53.977 87.404 29.180 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 54.008 86.779 29.904 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 53.234 87.972 29.385 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 39.142 69.347 61.316 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 39.270 69.043 60.417 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 38.204 69.239 61.473 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 72.382 77.329 -8.734 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 72.273 76.378 -8.736 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 72.329 77.575 -7.811 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 87.242 2.643 4.082 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 86.924 3.319 4.679 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 86.561 1.970 4.097 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 56.031 95.582 48.368 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 56.431 96.212 48.967 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 56.304 95.872 47.498 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 47.963 40.035 65.907 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 47.936 40.916 66.281 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 47.184 39.603 66.257 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 78.095 73.538 52.656 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 78.592 74.218 53.110 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 77.594 73.104 53.347 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 40.672 37.495 9.790 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 41.416 38.096 9.839 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 40.970 36.708 10.246 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 27.298 22.362 55.064 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 27.072 21.680 55.696 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 27.896 22.940 55.537 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 49.085 79.564 20.346 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 49.354 78.678 20.100 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 49.663 79.796 21.073 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 70.071 37.261 27.979 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 69.853 37.899 27.300 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 71.028 37.237 27.987 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 86.140 81.678 -11.842 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 87.019 81.319 -11.723 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 85.831 81.855 -10.954 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 77.905 72.166 32.584 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 78.188 72.472 31.722 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 76.949 72.178 32.541 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 41.402 27.111 -6.778 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 40.792 27.606 -6.230 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 41.860 27.778 -7.290 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 49.913 87.789 -5.950 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 48.959 87.795 -6.032 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 50.230 87.670 -6.846 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 32.103 21.270 61.486 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 32.010 20.317 61.480 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 32.731 21.454 60.788 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 70.119 29.485 22.951 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 70.571 28.655 23.100 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 70.205 29.957 23.779 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 29.264 16.001 34.259 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 29.461 16.801 34.746 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 28.507 16.230 33.718 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 68.613 66.224 53.940 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 68.563 66.960 53.330 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 68.575 65.447 53.382 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 81.580 39.154 19.644 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 80.725 39.574 19.544 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 81.879 39.001 18.747 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 66.933 51.502 24.558 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 66.949 51.131 23.675 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 66.058 51.298 24.888 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 89.554 85.528 30.024 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 89.353 86.413 30.328 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 89.446 85.570 29.074 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 90.290 25.823 -19.078 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 90.390 26.602 -19.625 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 90.728 26.048 -18.257 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 39.189 50.000 -6.489 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 39.692 50.022 -5.675 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 38.313 50.293 -6.238 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 60.654 1.215 -12.384 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 60.940 0.306 -12.470 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 60.265 1.263 -11.511 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 74.102 44.199 8.802 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 73.274 44.668 8.903 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 74.512 44.597 8.034 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 56.401 59.234 -8.262 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 56.760 60.117 -8.181 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 56.311 58.927 -7.360 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 80.438 12.856 -15.521 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 80.759 12.988 -16.413 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 80.267 13.739 -15.194 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 80.645 67.996 -19.158 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 79.891 67.419 -19.037 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 80.931 67.831 -20.056 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 90.446 58.831 19.930 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 90.624 58.100 20.522 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 90.130 58.417 19.126 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 87.682 16.500 -5.650 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 87.658 17.047 -4.864 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 87.156 15.733 -5.425 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 77.742 50.550 16.937 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 77.662 49.636 16.665 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 78.334 50.526 17.689 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 44.019 71.504 -9.904 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 44.869 71.906 -10.086 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 43.728 71.918 -9.091 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 29.925 18.448 7.097 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 29.062 18.165 7.400 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 30.531 18.121 7.762 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 64.060 6.248 12.561 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 63.217 6.357 13.002 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 63.946 5.469 12.016 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 73.848 40.606 1.348 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 74.578 39.995 1.445 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 74.199 41.447 1.640 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 25.400 50.336 7.868 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 26.041 50.993 8.137 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 24.988 50.707 7.088 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 57.902 16.835 39.757 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 57.523 17.457 40.377 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 57.250 16.763 39.060 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 63.326 31.910 1.254 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 62.935 32.481 1.916 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 62.581 31.452 0.864 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 84.711 86.690 57.993 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 85.114 86.319 57.208 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 83.831 86.943 57.715 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 58.225 13.712 33.860 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 57.607 13.236 33.305 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 58.150 14.623 33.577 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 69.996 49.539 31.263 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 69.834 49.136 30.410 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 69.735 50.453 31.149 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 61.186 89.147 10.824 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 61.532 88.880 11.675 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 60.244 88.988 10.886 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 22.312 10.890 38.659 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 22.945 11.518 38.311 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 21.978 10.432 37.888 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 44.614 1.947 66.474 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 44.774 2.853 66.738 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 45.375 1.465 66.797 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 65.344 77.976 5.241 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 64.747 77.240 5.112 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 65.685 77.857 6.128 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 78.602 38.174 62.939 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 78.688 38.467 62.032 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 77.736 37.766 62.978 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 45.432 40.050 46.771 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 46.193 39.491 46.610 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 45.344 40.571 45.973 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 46.367 3.486 -17.021 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 46.142 2.614 -17.346 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 45.527 3.938 -16.944 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 59.254 75.450 -6.488 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 58.928 74.788 -5.878 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 59.497 76.190 -5.931 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 64.426 17.404 14.932 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 64.053 17.099 14.105 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 63.668 17.656 15.458 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 64.035 91.810 54.100 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 64.875 91.600 54.508 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 63.436 91.936 54.835 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 86.033 95.209 3.911 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 85.400 94.506 3.763 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 86.881 94.813 3.711 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 60.562 19.525 25.877 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 60.205 18.841 25.311 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 61.364 19.808 25.436 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 85.449 26.105 -9.828 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 85.261 25.168 -9.777 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 85.148 26.364 -10.699 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 83.852 89.681 -2.523 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 84.557 89.146 -2.156 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 84.298 90.304 -3.096 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 90.128 89.516 -14.542 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 90.834 89.283 -13.939 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 89.441 88.873 -14.367 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 48.016 96.468 5.387 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 48.015 96.065 6.255 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 48.570 97.243 5.483 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 69.051 82.513 34.438 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 69.680 82.527 33.716 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 69.127 83.379 34.839 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 53.899 6.913 61.471 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 52.961 6.759 61.583 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 54.308 6.078 61.696 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 27.220 4.869 66.635 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 27.332 5.702 67.095 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 26.874 5.114 65.777 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 80.936 67.015 -16.364 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 81.192 67.322 -17.233 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 81.669 67.257 -15.798 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 20.607 34.001 -18.816 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 20.652 34.943 -18.982 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 19.674 33.822 -18.699 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 21.318 87.967 41.989 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 20.416 87.785 41.725 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 21.771 88.169 41.170 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 37.428 10.259 54.631 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 36.684 10.047 55.195 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 37.547 11.203 54.736 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 33.785 79.755 16.258 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 33.101 79.588 16.907 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 33.833 78.947 15.747 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 58.535 26.418 42.389 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 58.420 25.519 42.696 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 58.754 26.329 41.461 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 23.132 51.819 -14.878 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 22.606 51.317 -15.500 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 23.373 51.186 -14.202 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 67.309 20.858 24.580 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 66.472 20.771 24.124 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 67.643 21.713 24.308 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 48.367 39.375 47.637 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 47.945 39.054 48.435 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 48.772 40.202 47.897 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 50.149 10.312 10.974 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 49.398 10.890 10.839 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 50.866 10.900 11.208 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 40.685 12.874 -5.384 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 40.612 13.020 -4.441 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 41.129 13.655 -5.715 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 50.651 9.508 21.065 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 50.403 10.393 20.795 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 50.065 8.934 20.573 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 42.052 17.551 37.203 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 41.808 18.164 37.895 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 42.908 17.856 36.903 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 28.928 50.264 -17.804 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 28.861 51.217 -17.857 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 29.641 50.041 -18.403 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 28.633 81.115 29.922 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 28.812 81.966 30.321 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 28.263 80.590 30.633 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 56.217 4.129 60.197 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 55.284 4.306 60.314 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 56.497 3.757 61.034 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 64.621 54.591 9.785 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 65.121 55.067 10.449 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 63.766 54.444 10.188 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 46.705 79.568 21.680 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 47.622 79.439 21.441 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 46.485 78.801 22.210 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 80.577 36.536 3.121 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 80.386 35.767 3.657 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 81.506 36.711 3.274 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 75.158 5.905 37.503 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 75.288 5.469 36.661 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 76.012 5.852 37.934 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 22.604 74.224 62.504 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 21.740 74.420 62.142 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 22.734 74.884 63.185 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 65.945 45.192 -19.517 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 66.625 45.864 -19.470 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 65.375 45.374 -18.770 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 75.582 82.798 33.558 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 76.008 81.962 33.748 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 76.244 83.301 33.083 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 63.298 14.009 67.250 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 62.587 13.649 67.780 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 62.864 14.362 66.473 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 20.273 71.451 -11.381 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 20.789 70.818 -10.881 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 20.041 72.127 -10.745 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 38.364 73.416 25.432 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 38.973 73.036 26.065 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 38.490 72.899 24.637 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 81.855 90.725 33.324 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 82.109 91.431 32.730 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 81.308 90.148 32.791 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 47.291 36.919 54.451 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 46.625 37.381 53.942 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 47.546 37.540 55.133 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 24.540 79.731 58.901 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 24.529 78.775 58.952 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 24.691 79.920 57.975 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 31.281 2.335 59.570 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 31.280 1.467 59.165 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 30.891 2.908 58.910 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 89.126 5.133 6.848 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 89.934 5.039 7.352 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 89.341 5.773 6.168 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 72.700 75.026 65.360 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 72.462 75.938 65.527 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 71.942 74.660 64.904 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 56.251 72.199 34.468 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 55.354 72.475 34.655 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 56.165 71.297 34.158 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 70.183 47.265 -10.036 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 69.972 46.360 -10.267 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 70.418 47.228 -9.109 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 39.253 47.564 63.757 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 39.410 47.135 64.598 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 39.599 46.952 63.107 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 40.346 64.775 63.547 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 41.295 64.650 63.574 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 40.232 65.677 63.246 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 65.883 14.902 21.807 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 66.120 14.044 22.158 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 66.243 15.527 22.437 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 79.633 12.611 39.758 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 79.632 11.655 39.794 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 80.560 12.850 39.752 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 79.081 39.303 -13.151 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 79.273 38.761 -12.385 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 78.224 38.998 -13.451 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 64.561 40.741 54.016 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 65.264 41.359 54.216 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 63.804 41.075 54.498 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 65.737 10.638 62.828 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 66.046 11.105 63.604 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 65.577 9.745 63.133 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 87.681 16.410 37.005 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 86.805 16.755 36.836 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 87.775 16.449 37.957 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 39.733 26.437 21.541 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 38.982 26.843 21.974 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 40.104 25.853 22.202 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 79.068 29.238 -12.206 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 78.225 29.441 -12.610 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 78.862 29.078 -11.286 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 69.924 37.291 48.827 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 69.875 37.339 47.872 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 70.025 38.200 49.108 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 26.676 10.752 56.909 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 26.207 11.494 57.290 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 27.529 11.109 56.661 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 70.226 44.826 -11.487 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 69.368 44.652 -11.874 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 70.322 44.159 -10.807 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 83.973 35.998 13.866 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 83.996 35.189 14.377 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 83.181 36.447 14.163 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 65.320 33.703 29.811 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 66.155 33.266 29.644 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 64.899 33.752 28.952 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 59.683 31.399 37.110 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 60.471 31.857 36.819 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 59.384 30.920 36.337 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 39.937 37.066 41.687 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 39.178 36.802 42.207 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 39.563 37.467 40.902 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 74.240 33.448 33.748 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 74.217 32.740 34.392 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 74.714 34.155 34.187 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 67.415 44.675 -2.254 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 66.744 44.919 -1.616 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 68.102 44.258 -1.733 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 46.512 5.804 59.448 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 47.173 5.113 59.481 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 46.077 5.761 60.300 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 90.949 65.164 26.911 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 91.008 64.312 26.480 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 90.209 65.079 27.512 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 51.055 27.113 -12.307 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 50.775 26.477 -11.649 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 50.268 27.623 -12.499 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 71.272 25.527 -5.779 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 70.835 26.304 -5.431 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 71.859 25.865 -6.456 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 25.120 83.022 62.321 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 25.808 83.528 61.888 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 25.464 82.129 62.353 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 21.995 21.992 40.007 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 22.700 21.864 40.641 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 22.225 21.422 39.273 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 87.704 75.385 59.588 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 87.837 75.792 60.444 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 88.019 76.037 58.961 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 24.360 26.418 30.556 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 24.477 27.005 31.303 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 25.186 26.472 30.076 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 35.077 89.854 11.101 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 35.530 89.013 11.158 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 34.976 90.135 12.011 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 41.319 10.887 63.082 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 40.489 10.415 63.138 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 41.226 11.610 63.703 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 47.440 74.093 59.286 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 48.055 74.620 58.775 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 46.943 73.603 58.631 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 80.307 89.235 23.880 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 79.382 89.349 24.097 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 80.751 89.206 24.727 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 46.657 94.540 18.600 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 46.161 93.924 18.061 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 46.722 94.113 19.454 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 47.687 0.749 55.446 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 47.256 0.446 56.245 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 47.467 0.088 54.790 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 72.233 1.518 57.175 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 71.976 1.833 56.308 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 72.078 2.263 57.756 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 33.886 10.876 28.721 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 34.650 11.430 28.561 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 33.793 10.863 29.673 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 35.538 29.913 32.025 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 35.809 30.699 32.500 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 35.918 29.189 32.523 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 38.968 19.627 29.077 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 38.391 20.221 28.598 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 39.461 20.195 29.669 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 55.096 11.998 12.545 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 55.356 12.125 13.457 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 54.892 12.878 12.228 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 81.427 26.547 -17.045 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 82.047 27.184 -17.400 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 81.975 25.827 -16.734 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 60.677 47.382 30.876 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 60.847 48.195 30.401 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 61.359 46.781 30.576 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 63.304 48.312 24.658 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 62.635 48.946 24.917 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 62.813 47.600 24.249 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 74.786 18.419 57.115 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 74.547 18.764 56.255 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 74.082 17.808 57.332 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 66.788 4.995 2.376 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 65.914 4.704 2.636 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 66.823 5.915 2.639 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 87.859 32.144 0.248 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 88.543 31.499 0.065 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 87.280 31.709 0.875 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 59.013 87.827 28.808 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 59.548 88.007 28.035 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 58.111 87.869 28.490 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 31.179 41.151 21.699 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 31.465 42.033 21.938 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 30.303 41.073 22.076 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 41.811 13.307 42.651 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 41.367 13.913 42.057 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 42.610 13.058 42.186 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 78.879 81.104 23.061 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 79.410 81.294 23.835 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 78.662 80.175 23.142 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 43.053 57.841 9.735 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 43.788 57.415 10.176 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 43.162 58.772 9.931 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 88.091 41.399 59.238 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 88.707 41.940 58.743 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 87.988 40.608 58.709 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 33.099 41.746 2.915 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 32.456 41.708 3.622 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 33.269 42.681 2.796 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 22.764 6.252 -5.690 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 22.726 5.568 -5.022 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 22.461 7.042 -5.242 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 83.044 21.616 0.762 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 83.470 22.470 0.838 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 82.110 21.818 0.704 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 35.717 28.941 -3.911 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 36.593 29.327 -3.911 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 35.175 29.576 -3.444 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 47.528 18.171 31.016 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 48.107 18.917 30.861 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 47.127 17.998 30.164 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 57.599 52.324 49.974 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 58.345 52.635 49.461 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 57.991 51.824 50.690 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 76.941 30.744 20.452 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 76.168 30.839 19.895 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 76.606 30.830 21.345 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 62.561 12.469 -1.055 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 63.053 13.154 -1.507 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 62.303 12.867 -0.224 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 45.325 16.508 26.342 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 46.107 17.024 26.538 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 45.213 16.593 25.395 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 60.099 71.304 40.177 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 60.806 71.002 39.607 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 59.345 70.769 39.929 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 67.459 50.698 -7.306 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 67.604 50.841 -6.371 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 68.338 50.596 -7.673 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 49.296 13.728 22.977 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 48.594 14.347 22.777 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 49.603 13.985 23.846 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 80.541 53.581 5.295 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 79.981 53.065 5.874 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 80.098 53.554 4.446 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 42.024 45.494 19.337 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 41.721 45.070 20.140 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 42.935 45.726 19.517 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 57.505 15.820 32.123 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 57.198 15.918 31.222 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 58.274 16.389 32.178 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 37.364 77.302 1.858 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 38.074 77.943 1.809 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 37.717 76.592 2.393 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 80.808 91.655 35.633 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 80.924 91.389 34.721 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 81.197 90.944 36.142 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 87.028 61.850 62.732 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 86.956 61.034 63.228 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 86.124 62.091 62.533 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 31.285 20.337 -14.758 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 30.547 19.916 -14.318 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 30.935 20.607 -15.608 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 67.173 56.607 1.798 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 66.745 56.760 2.640 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 67.540 57.457 1.557 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 32.277 65.219 45.018 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 33.120 64.790 44.870 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 32.321 66.021 44.497 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 73.748 29.737 62.789 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 72.970 29.347 62.389 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 74.261 30.061 62.048 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 76.154 79.529 58.952 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 75.295 79.542 59.374 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 76.707 80.068 59.518 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 57.515 13.218 24.772 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 57.071 12.459 25.152 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 58.393 12.900 24.561 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 43.317 95.562 -14.374 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 43.320 96.196 -13.656 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 42.587 95.834 -14.930 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 47.159 88.512 53.292 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 48.115 88.471 53.254 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 46.941 88.224 54.178 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 88.405 33.355 46.653 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 88.998 33.840 46.080 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 87.903 34.031 47.109 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 75.559 28.977 -7.766 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 75.423 29.584 -7.039 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 74.831 29.152 -8.364 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 62.474 41.532 8.634 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 62.838 41.815 9.472 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 62.840 40.658 8.496 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 35.280 0.102 -1.330 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 34.364 0.289 -1.121 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 35.780 0.694 -0.769 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 39.231 29.397 9.290 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 39.935 29.072 9.851 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 38.841 30.116 9.788 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 54.008 28.671 2.857 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 54.253 29.563 3.101 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 53.405 28.391 3.545 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 66.103 41.580 51.503 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 65.200 41.501 51.812 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 66.344 40.691 51.241 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 53.464 50.520 -4.580 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 52.956 49.956 -3.998 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 53.334 51.403 -4.234 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 41.949 11.074 16.619 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 42.384 10.938 15.778 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 41.456 10.267 16.768 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 40.285 3.952 -9.120 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 39.697 4.152 -8.392 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 40.626 4.804 -9.395 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 86.230 18.824 55.341 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 87.057 19.299 55.257 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 85.574 19.421 54.982 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 32.635 62.730 6.027 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 33.468 62.531 6.455 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 32.200 63.341 6.622 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 26.888 17.181 5.986 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 27.349 17.478 5.201 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 26.887 17.943 6.566 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 27.400 65.208 0.524 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 26.954 65.855 1.070 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 27.841 65.727 -0.150 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 78.194 15.541 44.957 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 77.739 14.756 44.653 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 77.665 16.268 44.629 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 59.929 21.394 15.959 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 59.373 22.032 16.407 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 59.386 21.061 15.245 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 88.301 38.490 48.778 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 89.168 38.716 49.114 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 87.910 37.950 49.465 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 36.139 84.693 36.786 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 37.013 84.305 36.843 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 36.069 84.993 35.880 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 72.449 46.689 35.847 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 72.254 47.495 35.369 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 71.919 46.020 35.414 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 42.368 19.243 -14.144 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 42.848 18.482 -13.817 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 41.448 19.036 -13.977 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 70.964 33.638 41.701 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 70.302 33.194 41.171 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 71.281 34.348 41.144 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 61.115 32.010 42.262 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 60.981 31.401 41.536 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 60.237 32.329 42.473 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 20.660 69.396 32.582 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 20.177 69.456 31.758 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 21.033 68.514 32.578 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 25.314 52.753 -10.165 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 25.257 53.039 -9.253 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 25.659 53.512 -10.634 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 33.759 4.316 7.690 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 33.775 4.671 8.579 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 34.129 5.012 7.147 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 47.303 6.596 -6.234 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 46.839 7.433 -6.204 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 47.940 6.700 -6.941 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 73.830 41.908 39.886 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 73.168 41.376 40.328 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 74.659 41.476 40.089 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 20.164 34.494 41.517 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 21.115 34.389 41.486 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 20.017 35.152 42.197 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 37.742 84.665 59.864 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 37.184 83.940 60.147 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 38.264 84.302 59.149 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 81.041 50.886 10.861 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 80.832 49.981 10.629 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 80.256 51.381 10.624 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 28.491 33.458 1.989 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 29.231 34.061 1.922 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 27.718 34.021 1.956 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 37.870 80.501 26.405 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 37.971 80.578 27.353 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 38.193 79.623 26.199 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 74.816 72.383 -19.328 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 74.378 71.561 -19.547 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 74.320 73.053 -19.799 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 85.725 86.452 6.378 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 85.113 85.739 6.191 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 86.133 86.207 7.208 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 75.252 45.944 -3.103 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 75.868 45.217 -3.191 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 75.553 46.423 -2.331 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 32.270 9.667 43.981 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 31.727 9.003 43.557 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 33.169 9.398 43.792 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 58.102 94.964 37.019 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 58.825 94.979 37.646 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 58.051 95.862 36.690 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 85.420 55.703 54.955 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 84.965 55.828 55.788 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 84.807 55.202 54.418 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 50.695 41.305 33.802 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 50.204 41.890 33.225 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 50.966 40.582 33.236 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 71.907 77.503 66.127 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 71.346 77.851 65.434 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 71.306 77.048 66.717 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 75.846 11.771 63.418 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 76.509 12.344 63.803 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 75.402 12.319 62.770 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 78.267 8.673 55.521 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 77.516 8.093 55.641 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 78.397 8.705 54.573 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 51.159 44.126 -13.762 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 50.395 43.553 -13.823 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 51.812 43.606 -13.295 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 55.434 50.648 -0.191 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 55.058 51.520 -0.312 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 55.523 50.555 0.758 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 21.172 9.558 66.707 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 21.807 9.110 67.266 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 21.695 9.910 65.986 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 63.755 50.662 -18.978 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 63.385 49.961 -18.442 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 64.063 51.311 -18.346 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 66.492 39.902 34.513 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 66.105 40.766 34.373 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 66.355 39.441 33.685 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 23.540 31.796 48.213 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 23.791 31.993 49.116 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 22.856 31.131 48.293 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 38.691 22.937 38.391 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 39.626 23.120 38.295 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 38.317 23.757 38.712 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 53.444 28.833 -12.214 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 53.148 29.715 -12.439 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 52.823 28.534 -11.551 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 61.194 42.825 34.492 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 61.113 43.757 34.290 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 62.138 42.663 34.504 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 52.976 25.124 46.861 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 53.778 25.643 46.793 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 52.999 24.761 47.746 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 42.470 77.647 50.957 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 43.165 77.873 51.575 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 42.681 76.757 50.674 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 25.355 37.601 -14.261 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 24.726 36.884 -14.347 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 25.786 37.646 -15.115 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 74.722 53.970 9.991 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 73.782 54.065 10.144 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 75.080 53.718 10.843 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 22.289 91.424 29.184 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 21.660 90.712 29.300 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 23.145 91.008 29.293 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 79.426 88.355 36.497 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 79.066 88.470 35.618 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 78.691 88.537 37.083 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 89.175 50.947 45.192 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 88.220 50.908 45.150 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 89.380 50.816 46.118 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 67.728 49.782 17.119 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 67.895 49.063 16.510 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 66.780 49.907 17.089 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 85.866 32.145 -12.592 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 85.889 33.100 -12.647 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 84.936 31.932 -12.507 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 84.735 94.609 -10.705 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 85.069 94.099 -9.967 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 85.518 94.863 -11.194 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 64.861 27.197 26.170 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 65.729 27.209 25.767 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 64.279 26.883 25.478 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 62.312 35.116 27.547 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 62.868 35.490 28.231 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 62.151 35.842 26.945 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 76.671 16.940 -12.594 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 76.374 16.071 -12.864 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 75.877 17.383 -12.296 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 86.516 61.550 9.891 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 87.004 60.767 9.638 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 87.074 61.983 10.537 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 90.272 58.027 34.920 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 89.598 57.380 34.712 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 89.792 58.848 35.027 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 51.933 1.626 15.745 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 52.869 1.716 15.567 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 51.617 1.025 15.071 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 34.940 11.638 5.167 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 34.141 12.113 4.937 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 34.638 10.909 5.709 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 56.688 26.227 -3.313 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 56.732 26.950 -2.687 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 55.911 26.412 -3.839 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 69.030 90.921 -2.870 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 68.383 91.438 -2.391 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 68.591 90.684 -3.687 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 22.474 92.590 -3.828 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 22.075 92.698 -2.964 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 22.944 91.758 -3.772 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 77.725 35.347 9.872 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 78.294 34.684 10.263 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 77.875 36.132 10.399 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 84.552 33.827 32.697 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 85.194 34.459 33.020 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 84.953 32.973 32.857 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 85.314 32.070 -3.182 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 85.200 32.115 -2.233 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 85.436 32.980 -3.452 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 84.169 96.763 0.586 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 84.578 97.343 -0.057 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 84.798 96.051 0.700 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 48.845 36.110 -5.344 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 48.758 37.041 -5.138 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 49.409 36.088 -6.118 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 29.092 35.329 37.476 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 28.208 35.672 37.348 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 29.220 34.717 36.752 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 34.898 54.645 16.559 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 35.575 53.969 16.518 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 34.727 54.757 17.494 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 89.459 62.733 7.148 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 89.682 62.445 8.033 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 90.159 62.383 6.598 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 87.697 93.283 56.261 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 87.172 93.546 57.017 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 87.858 94.098 55.785 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 37.230 14.409 62.947 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 36.809 13.551 62.986 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 37.234 14.632 62.016 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 49.362 9.460 39.649 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 49.769 8.605 39.508 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 50.093 10.077 39.649 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 83.633 40.311 52.163 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 83.369 41.230 52.122 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 82.941 39.886 52.670 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 59.647 63.215 21.185 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 59.821 64.108 20.889 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 59.819 62.669 20.418 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 65.008 6.440 49.580 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 64.238 6.196 50.095 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 65.065 5.767 48.901 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 80.629 59.508 42.893 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 80.852 60.341 42.478 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 80.663 58.869 42.181 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 80.434 52.492 -8.806 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 81.068 51.845 -8.496 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 80.380 52.343 -9.750 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 37.472 80.646 -15.502 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 38.295 81.124 -15.603 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 36.923 81.224 -14.972 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 89.837 31.372 3.047 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 89.252 31.968 3.514 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 90.602 31.906 2.830 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 31.226 18.638 35.319 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 30.935 18.703 34.410 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 31.770 19.414 35.453 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 68.492 14.667 6.843 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 69.160 13.986 6.921 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 68.988 15.484 6.785 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 36.882 22.092 -5.913 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 37.430 22.875 -5.960 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 37.420 21.399 -6.297 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 57.689 55.843 -5.243 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 57.870 54.912 -5.369 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 57.931 56.014 -4.333 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 27.063 18.925 -7.269 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 27.982 18.953 -7.004 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 26.681 19.720 -6.896 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 59.984 47.152 53.856 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 60.219 46.347 54.318 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 59.060 47.038 53.632 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 74.252 57.316 39.297 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 73.953 57.812 38.535 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 74.541 57.983 39.919 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 78.087 64.712 15.231 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 78.220 63.958 14.656 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 77.279 65.116 14.914 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 67.196 48.679 -0.040 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 67.121 48.213 0.793 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 66.679 49.475 0.082 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 77.380 48.117 39.535 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 76.712 47.461 39.732 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 77.091 48.901 40.001 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 23.717 59.594 15.015 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 23.150 60.084 15.610 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 24.512 59.430 15.523 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 83.847 24.235 59.101 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 83.056 24.752 59.249 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 83.813 24.005 58.172 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 29.204 16.336 49.577 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 29.525 17.204 49.825 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 28.569 16.505 48.881 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 32.812 77.286 62.427 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 32.172 77.867 62.016 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 32.924 76.570 61.802 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 50.163 54.483 59.124 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 49.874 53.982 58.362 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 49.985 53.910 59.870 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 38.091 48.115 -14.602 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 39.010 48.376 -14.535 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 37.843 48.337 -15.499 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 68.142 58.806 -1.327 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 67.321 59.296 -1.380 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 68.750 59.404 -0.891 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 75.176 1.818 62.215 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 76.065 1.924 61.877 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 75.174 2.302 63.041 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 56.539 69.329 -19.924 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 56.876 70.213 -19.779 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 55.768 69.270 -19.359 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 49.249 63.042 -17.934 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 48.633 62.667 -17.304 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 49.159 62.494 -18.713 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 57.576 0.100 46.438 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 57.837 -0.531 45.767 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 57.033 0.735 45.971 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 34.989 1.325 61.505 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 34.384 2.040 61.701 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 35.244 0.985 62.363 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 87.666 93.844 14.497 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 86.903 93.710 13.935 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 88.139 93.013 14.463 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 81.883 36.452 -11.798 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 81.137 35.931 -11.502 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 82.437 36.541 -11.023 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 82.887 37.769 -16.916 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 83.425 38.550 -17.047 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 82.154 38.069 -16.380 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 26.690 41.669 65.355 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 26.946 40.961 64.765 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 25.929 41.327 65.825 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 20.817 85.632 9.953 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 20.710 86.366 10.557 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 21.004 84.882 10.517 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 84.992 62.326 -2.220 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 85.894 62.634 -2.135 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 84.495 62.867 -1.607 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 90.012 33.866 17.627 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 90.206 34.159 16.737 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 89.644 32.989 17.516 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 59.258 19.094 38.119 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 59.432 18.293 37.624 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 58.438 18.917 38.580 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 36.681 16.826 3.854 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 36.804 17.543 3.231 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 35.838 16.441 3.612 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 46.007 24.316 -13.143 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 46.803 24.116 -12.651 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 45.760 23.485 -13.548 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 62.932 43.559 -13.682 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 62.037 43.834 -13.484 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 62.830 42.743 -14.172 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 61.523 67.436 -8.854 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 60.729 67.815 -8.478 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 61.468 67.642 -9.788 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 82.505 -0.212 2.635 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 81.935 0.557 2.628 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 83.100 -0.075 1.898 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 74.120 84.276 -5.250 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 73.580 84.774 -5.863 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 73.550 83.568 -4.949 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 45.705 39.816 12.277 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 45.344 39.054 12.731 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 46.559 39.958 12.687 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 38.775 61.773 -17.860 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 38.409 62.573 -17.483 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 39.717 61.936 -17.902 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 25.971 94.214 17.233 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 26.703 94.034 17.823 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 26.309 94.871 16.625 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 42.462 18.279 44.467 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 42.678 19.209 44.402 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 41.584 18.209 44.094 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 54.299 24.967 12.330 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 53.702 24.971 11.582 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 53.873 25.525 12.980 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 55.778 79.454 38.106 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 55.796 79.962 37.295 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 55.544 80.090 38.782 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 81.449 20.641 -18.619 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 80.938 21.448 -18.547 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 81.817 20.512 -17.745 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 69.680 93.974 3.727 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 68.747 93.789 3.621 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 69.759 94.914 3.569 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 57.787 27.350 4.724 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 57.529 28.220 5.029 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 57.564 27.346 3.793 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 25.254 63.451 57.500 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 26.083 63.758 57.866 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 24.887 64.217 57.059 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 84.829 41.739 -7.383 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 84.416 42.071 -6.587 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 84.726 40.789 -7.329 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 56.289 71.172 1.163 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 56.641 70.470 1.709 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 57.033 71.757 1.017 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 76.429 33.081 43.805 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 76.855 32.226 43.874 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 77.111 33.709 44.042 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 59.262 56.945 19.341 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 58.452 56.534 19.038 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 59.009 57.841 19.562 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 28.006 54.303 40.566 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 27.734 53.398 40.418 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 28.023 54.695 39.693 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 38.550 51.525 47.226 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 39.398 51.319 46.832 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 38.526 52.481 47.260 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 41.526 21.611 -6.265 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 41.229 22.360 -6.781 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 41.104 21.725 -5.413 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 23.404 29.145 -16.300 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 22.701 29.784 -16.184 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 22.953 28.311 -16.429 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 75.521 35.665 35.073 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 75.539 36.085 35.933 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 75.911 36.311 34.483 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 82.572 49.487 21.028 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 82.969 48.900 20.384 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 81.689 49.139 21.156 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 90.159 81.032 3.874 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 90.969 81.294 4.312 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 90.044 81.678 3.177 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 85.854 32.121 4.283 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 86.128 31.599 5.037 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 85.021 32.510 4.550 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 38.164 30.569 49.952 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 38.399 29.650 50.080 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 37.439 30.546 49.327 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 26.758 22.789 22.896 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 26.179 22.304 22.308 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 27.631 22.679 22.519 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 27.793 76.692 11.386 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 27.259 77.424 11.077 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 27.195 75.944 11.388 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 60.646 7.287 15.918 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 60.610 7.113 14.977 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 59.778 7.628 16.132 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 74.620 17.707 -16.210 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 74.313 17.198 -16.960 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 75.487 17.350 -16.017 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 74.898 36.246 -4.774 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 74.499 36.951 -4.265 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 75.678 36.642 -5.163 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 62.508 62.285 29.354 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 61.655 62.643 29.599 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 62.367 61.901 28.489 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 59.962 36.680 -8.459 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 59.785 35.848 -8.019 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 59.848 37.341 -7.777 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 64.933 32.491 -16.762 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 64.224 31.848 -16.733 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 64.895 32.930 -15.913 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 74.585 52.940 5.497 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 75.396 53.368 5.772 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 73.917 53.621 5.571 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 65.473 38.311 -8.416 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 64.701 38.813 -8.157 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 65.460 37.541 -7.847 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 39.458 75.266 -2.520 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 40.061 75.408 -3.250 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 39.826 74.520 -2.047 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 28.890 62.983 12.501 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 29.328 63.288 13.296 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 27.969 63.207 12.633 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 82.620 71.149 -15.605 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 81.809 70.690 -15.825 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 82.950 71.468 -16.445 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 84.031 76.348 22.674 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 83.502 77.112 22.446 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 83.705 75.652 22.104 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 79.573 52.560 58.341 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 80.220 52.654 59.041 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 79.437 53.451 58.019 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 72.219 55.795 28.870 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 72.105 56.679 28.520 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 72.111 55.896 29.815 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 43.407 39.305 52.595 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 43.085 40.131 52.235 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 42.655 38.714 52.552 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 50.934 2.175 42.970 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 51.538 2.812 43.353 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 51.476 1.659 42.373 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 36.203 27.699 -12.936 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 35.673 28.286 -13.476 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 35.723 27.632 -12.111 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 47.984 38.750 21.497 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 48.775 38.875 20.973 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 48.041 39.416 22.182 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 75.603 66.424 -4.325 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 76.117 66.380 -3.519 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 74.699 66.293 -4.040 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 83.879 53.601 23.381 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 83.919 54.550 23.266 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 82.965 53.376 23.208 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 33.714 59.129 -11.522 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 33.343 59.602 -10.777 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 34.518 58.738 -11.181 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 21.386 91.699 6.081 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 21.269 91.584 7.024 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 22.332 91.784 5.965 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 71.625 7.185 9.121 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 71.798 8.003 9.589 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 70.705 7.245 8.865 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 21.015 27.126 27.200 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 20.750 27.095 26.281 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 21.753 27.736 27.216 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 74.564 50.004 9.736 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 74.818 49.844 10.645 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 73.648 49.729 9.691 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 21.374 34.574 62.141 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 22.028 35.209 62.435 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 21.790 34.127 61.403 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 34.720 41.255 37.165 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 35.651 41.036 37.125 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 34.603 41.929 36.495 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 79.009 69.994 7.362 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 78.364 70.300 6.725 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 79.102 69.059 7.180 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 47.372 85.072 21.371 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 46.542 84.950 20.909 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 47.191 84.790 22.267 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 25.137 12.101 3.698 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 24.214 12.323 3.815 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 25.486 12.803 3.150 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 27.337 66.186 6.177 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 27.311 65.273 6.461 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 27.874 66.627 6.836 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 51.257 43.670 -10.521 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 51.537 44.346 -9.904 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 50.967 42.945 -9.968 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 46.643 92.823 5.802 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 47.147 92.643 6.595 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 46.565 91.973 5.369 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 53.546 8.855 41.233 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 52.695 9.192 40.953 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 54.129 9.036 40.496 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 33.137 10.960 -1.494 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 33.976 11.393 -1.338 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 33.243 10.531 -2.344 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 29.990 22.132 -8.299 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 29.447 21.535 -8.813 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 29.852 21.861 -7.392 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 68.386 65.742 -13.030 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 67.602 66.274 -12.894 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 68.068 64.839 -13.019 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 85.306 35.330 11.493 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 86.065 34.855 11.830 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 84.702 35.374 12.235 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 52.922 80.012 15.002 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 53.508 79.294 15.240 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 52.255 79.605 14.449 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 49.930 29.135 -16.019 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 49.259 28.812 -15.418 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 49.723 30.063 -16.134 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 71.035 51.991 2.312 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 71.137 52.890 2.624 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 70.383 51.606 2.897 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 40.681 2.829 -14.716 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 40.127 3.127 -15.438 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 41.253 3.573 -14.530 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 72.855 65.799 29.122 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 72.483 66.085 29.955 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 72.105 65.479 28.621 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 45.208 79.591 33.483 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 45.890 79.127 32.997 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 44.482 78.969 33.531 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 23.744 15.018 34.725 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 24.395 15.178 35.408 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 23.047 15.649 34.905 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 61.947 72.455 36.898 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 62.386 72.519 37.746 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 62.300 71.657 36.505 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 71.463 56.047 48.994 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 70.682 55.514 49.145 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 71.732 56.330 49.868 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 36.429 76.512 -16.959 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 36.526 75.652 -17.370 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 35.738 76.391 -16.308 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 53.079 94.037 10.415 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 52.811 94.815 10.906 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 53.372 93.420 11.085 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 64.754 80.566 60.877 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 65.576 80.707 61.346 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 64.320 81.419 60.891 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 84.883 70.618 50.601 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 84.083 70.356 51.056 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 85.067 69.892 50.004 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 87.781 76.956 51.961 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 87.778 77.642 51.294 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 88.593 77.098 52.448 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 61.776 40.570 54.482 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 61.147 39.848 54.470 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 61.236 41.358 54.540 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 27.110 46.154 28.934 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 27.709 46.694 28.419 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 26.242 46.511 28.744 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 26.466 28.313 35.448 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 26.323 28.813 36.252 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 25.800 27.625 35.472 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 46.172 44.152 -16.559 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 46.776 44.315 -15.834 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 46.000 45.018 -16.928 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 46.146 75.167 55.378 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 45.781 75.161 54.494 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 46.363 76.085 55.543 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 61.697 65.372 28.881 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 60.745 65.276 28.907 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 61.951 65.004 28.034 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 47.936 42.693 59.736 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 47.087 42.402 59.402 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 47.754 42.989 60.628 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 22.784 43.200 48.071 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 23.519 43.514 47.544 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 23.008 43.448 48.968 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 80.709 67.761 54.061 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 81.181 68.221 54.755 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 81.373 67.586 53.394 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 82.792 68.608 -14.234 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 82.283 69.068 -13.565 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 82.924 69.258 -14.924 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 37.388 48.859 7.992 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 36.461 49.018 7.814 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 37.394 48.354 8.805 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 24.131 29.927 33.890 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 24.301 28.999 34.051 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 23.833 29.962 32.981 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 69.479 26.353 27.867 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 69.889 26.166 27.023 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 68.795 26.992 27.664 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 67.175 18.325 53.861 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 67.434 17.786 54.608 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 67.602 17.915 53.109 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 90.503 44.120 5.404 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 89.981 43.580 4.810 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 90.106 44.989 5.349 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 63.186 73.814 44.586 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 63.798 74.480 44.272 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 62.930 73.332 43.799 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 69.680 21.407 -5.250 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 70.281 22.152 -5.253 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 70.250 20.640 -5.200 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 83.497 68.234 9.927 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 83.215 67.903 10.779 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 83.724 67.450 9.428 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 46.000 86.430 42.029 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 45.557 85.595 42.184 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 46.933 86.215 42.054 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 30.102 67.838 -12.567 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 29.705 66.975 -12.455 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 30.766 67.888 -11.880 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 49.176 0.335 48.922 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 50.015 0.757 48.733 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 48.953 0.630 49.805 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 75.125 17.147 7.727 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 75.965 17.259 7.282 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 75.358 16.971 8.639 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 54.491 9.710 9.901 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 53.790 9.079 9.735 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 54.059 10.563 9.873 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 24.532 88.300 23.911 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 25.034 87.516 23.689 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 23.999 88.472 23.134 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 62.560 78.317 3.664 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 62.864 77.439 3.894 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 61.699 78.388 4.077 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 25.091 81.697 9.263 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 24.566 80.951 8.971 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 25.226 81.543 10.198 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 31.288 85.563 63.914 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 31.441 86.280 64.529 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 31.554 84.777 64.391 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 71.167 70.510 -12.144 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 70.435 69.913 -11.988 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 70.758 71.371 -12.236 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 80.788 51.488 14.088 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 81.116 52.317 13.738 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 81.558 50.921 14.123 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 89.998 86.042 32.966 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 89.043 85.979 32.972 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 90.185 86.785 32.391 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 78.350 17.280 60.976 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 79.036 17.942 61.068 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 78.575 16.609 61.620 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 64.720 4.815 -11.509 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 65.029 3.970 -11.183 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 63.977 5.033 -10.947 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 54.211 14.042 63.357 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 53.736 13.701 62.599 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 53.535 14.444 63.903 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 68.285 80.344 32.951 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 67.757 80.788 32.287 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 68.473 81.021 33.600 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 23.102 87.556 11.179 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 23.230 86.617 11.049 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 23.979 87.897 11.352 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 69.951 67.487 9.081 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 69.502 66.930 9.717 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 70.339 66.874 8.457 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 28.484 94.223 40.007 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 28.964 93.444 40.289 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 28.914 94.947 40.463 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 82.095 66.149 1.431 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 82.989 65.806 1.434 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 81.924 66.365 0.514 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 69.694 76.891 -1.620 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 68.750 76.781 -1.511 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 69.959 77.439 -0.881 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 45.395 84.867 35.853 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 45.779 84.037 36.138 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 45.543 84.887 34.907 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 56.000 26.189 22.326 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 56.747 26.742 22.553 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 55.481 26.722 21.724 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 53.587 48.686 66.891 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 54.073 48.389 67.660 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 52.790 49.079 67.248 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 56.949 90.041 47.857 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 56.662 90.550 47.099 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 57.632 90.577 48.261 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 20.214 96.682 14.511 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 20.603 95.812 14.423 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 20.066 96.785 15.451 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 54.390 4.238 18.570 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 53.494 4.297 18.238 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 54.622 5.139 18.794 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 67.348 53.192 11.735 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 67.256 52.508 12.399 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 66.713 53.861 11.992 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 28.860 72.731 -10.097 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 29.139 71.829 -9.938 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 28.741 73.103 -9.223 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 38.149 78.959 48.882 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 38.936 78.808 48.358 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 38.292 79.813 49.289 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 66.073 64.755 33.288 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 65.498 65.204 33.908 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 65.497 64.502 32.566 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 51.504 85.394 53.612 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 52.124 84.724 53.900 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 50.643 84.993 53.739 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 21.584 48.138 54.930 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 21.659 47.194 55.072 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 20.642 48.303 54.901 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 21.114 56.029 12.031 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 21.727 56.656 12.415 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 20.255 56.438 12.137 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 34.470 89.709 -14.500 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 35.273 90.001 -14.931 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 34.767 89.314 -13.680 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 47.570 34.395 58.359 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 47.761 33.672 58.958 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 48.413 34.832 58.236 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 70.751 44.929 34.474 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 70.791 44.016 34.188 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 69.931 44.991 34.965 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 84.904 6.250 -7.907 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 84.137 5.813 -7.537 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 84.581 7.108 -8.182 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 86.644 92.187 28.423 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 85.791 91.762 28.513 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 86.444 93.049 28.057 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 58.303 50.634 51.825 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 59.022 50.023 51.987 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 57.882 50.742 52.678 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 83.417 48.527 -15.196 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 83.320 49.083 -15.970 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 83.176 47.651 -15.498 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 40.884 31.092 0.460 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 40.326 30.405 0.097 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 41.685 30.637 0.721 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 62.417 65.516 -19.942 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 62.220 66.139 -19.242 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 62.432 64.663 -19.507 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 64.034 24.378 12.325 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 63.591 24.447 11.479 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 63.460 24.839 12.935 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 23.487 29.752 50.529 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 22.723 29.342 50.123 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 24.234 29.265 50.181 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 71.049 90.495 31.024 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 70.477 90.830 31.715 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 70.663 89.654 30.780 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 31.404 23.109 5.097 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 30.922 23.379 5.879 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 32.303 22.984 5.400 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 37.337 9.149 -4.471 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 37.295 9.015 -5.418 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 36.687 8.544 -4.114 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 68.141 91.615 19.565 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 67.260 91.248 19.636 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 68.724 90.872 19.721 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 42.057 79.068 -0.244 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 42.419 79.589 0.472 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 42.823 78.759 -0.728 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 74.787 34.921 37.887 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 75.132 34.161 38.356 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 73.948 34.624 37.534 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 20.660 61.206 21.287 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 20.466 60.347 20.912 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 21.575 61.146 21.565 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 72.426 35.715 40.707 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 72.011 36.076 39.924 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 73.338 35.576 40.452 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 70.219 25.724 -18.266 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 70.931 25.673 -18.903 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 69.569 26.294 -18.676 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 51.885 92.859 25.211 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 51.603 93.086 26.097 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 51.621 93.607 24.676 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 65.964 86.400 33.475 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 65.685 85.955 32.674 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 65.843 85.748 34.166 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 71.862 82.015 27.035 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 72.365 82.674 27.512 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 71.469 81.472 27.719 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 81.006 48.825 44.194 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 80.380 49.308 44.733 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 80.732 47.911 44.270 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 32.811 75.505 -9.699 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 32.133 74.868 -9.921 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 33.240 75.699 -10.533 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 52.206 70.204 10.715 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 51.833 70.178 11.596 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 53.135 70.009 10.841 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 83.293 17.331 56.974 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 82.689 17.222 57.709 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 83.085 16.606 56.384 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 83.189 71.861 43.163 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 83.147 71.073 42.621 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 84.118 71.962 43.369 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 76.787 48.191 -1.332 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 76.035 48.783 -1.307 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 77.062 48.113 -0.419 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 51.901 48.348 41.071 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 52.304 47.495 40.911 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 51.251 48.182 41.754 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 67.916 64.161 30.355 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 67.966 63.213 30.483 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 67.931 64.276 29.405 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 67.026 47.265 4.903 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 66.102 47.143 5.124 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 67.287 48.048 5.389 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 89.102 27.474 53.294 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 88.840 26.728 53.833 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 89.291 27.095 52.436 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 27.638 90.253 26.273 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 26.719 90.463 26.107 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 27.690 89.303 26.168 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 21.197 74.536 27.751 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 21.244 73.583 27.666 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 20.479 74.793 27.174 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 38.773 90.619 62.501 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 39.509 90.384 61.935 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 38.086 89.993 62.273 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 47.622 51.459 62.903 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 47.510 52.300 63.344 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 48.060 51.676 62.080 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 78.247 47.691 62.452 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 77.869 47.892 61.596 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 78.047 46.765 62.591 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 21.628 88.198 51.494 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 20.849 88.236 50.940 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 21.766 89.102 51.778 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 83.288 30.197 -3.307 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 82.776 30.249 -2.500 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 84.014 30.805 -3.170 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 66.137 5.583 30.110 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 65.240 5.749 30.398 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 66.621 6.367 30.368 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 77.788 47.917 1.010 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 78.593 48.408 1.178 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 77.260 48.047 1.797 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 61.154 90.066 50.530 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 60.370 89.544 50.358 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 61.441 90.360 49.665 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 58.318 23.720 56.986 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 57.851 24.423 57.438 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 58.121 23.858 56.060 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 44.547 8.812 48.940 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 43.637 8.565 48.779 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 44.879 8.136 49.530 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 20.592 82.185 8.700 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 20.476 82.374 9.631 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 21.190 81.438 8.679 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 76.073 57.792 -8.924 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 76.696 57.225 -9.378 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 76.163 58.641 -9.357 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 62.632 63.085 55.258 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 63.200 62.994 56.024 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 62.332 63.993 55.288 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 21.983 50.109 -16.798 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 21.620 49.354 -16.335 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 22.207 49.773 -17.666 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 57.681 13.796 10.232 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 57.870 12.862 10.322 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 58.474 14.232 10.543 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 32.414 82.228 -4.804 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 32.002 81.686 -5.477 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 31.986 83.080 -4.887 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 69.979 63.898 48.881 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 69.501 64.638 48.504 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 69.301 63.254 49.084 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 34.460 1.484 31.177 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 34.343 0.820 30.497 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 35.392 1.700 31.144 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 36.872 76.139 33.600 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 37.290 75.278 33.567 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 37.600 76.760 33.589 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 84.716 80.203 66.369 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 84.165 80.248 67.150 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 84.198 80.627 65.685 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 30.722 17.178 10.827 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 31.621 17.440 10.627 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 30.781 16.749 11.681 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 51.585 77.905 -3.817 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 51.697 77.568 -2.928 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 52.476 78.074 -4.124 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 53.910 77.037 64.601 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 54.302 76.200 64.851 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 53.003 76.822 64.384 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 58.486 57.047 -8.253 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 58.179 56.768 -7.390 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 57.708 57.005 -8.809 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 56.369 38.808 53.617 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 56.235 37.912 53.309 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 55.495 39.197 53.613 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 63.283 17.108 5.270 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 62.790 17.776 5.747 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 62.787 16.976 4.461 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 89.188 33.318 62.538 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 90.136 33.369 62.417 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 89.024 33.793 63.352 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 78.185 5.072 -14.468 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 77.342 4.923 -14.039 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 78.755 4.385 -14.124 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 78.453 87.590 50.599 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 77.727 87.123 51.014 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 78.693 88.269 51.229 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 23.642 30.846 53.089 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 24.290 30.619 52.422 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 24.059 31.537 53.603 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 22.698 39.016 26.710 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 23.390 39.445 26.207 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 22.328 38.371 26.107 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 78.938 36.816 52.194 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 78.271 36.939 52.870 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 78.474 36.387 51.475 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 31.139 84.618 21.117 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 30.600 84.027 20.592 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 31.909 84.099 21.350 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 44.516 1.780 61.989 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 44.557 0.824 61.997 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 43.982 1.992 61.223 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 89.768 65.621 -4.185 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 89.073 65.580 -3.528 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 89.800 64.740 -4.557 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 65.940 36.544 23.627 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 66.447 35.760 23.420 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 65.231 36.548 22.984 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 65.629 27.210 20.287 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 66.302 26.751 20.790 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 66.118 27.756 19.672 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 88.396 90.508 18.891 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 88.130 90.638 17.981 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 87.768 91.020 19.400 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 71.684 5.371 -13.340 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 72.256 5.857 -12.746 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 72.167 4.567 -13.534 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 33.508 18.178 10.624 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 33.824 17.731 11.410 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 33.684 19.105 10.788 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 55.603 0.346 35.771 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 55.518 -0.436 35.227 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 55.209 0.100 36.608 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 39.896 47.259 49.279 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 39.591 48.080 48.894 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 40.840 47.379 49.386 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 31.050 79.116 42.952 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 31.976 79.285 42.776 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 30.902 79.478 43.826 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 48.694 93.626 26.652 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 48.351 92.797 26.985 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 48.385 93.667 25.747 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 55.309 64.631 -14.358 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 54.472 64.471 -13.920 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 55.945 64.128 -13.850 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 51.156 5.298 40.627 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 51.863 5.111 41.245 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 51.597 5.667 39.862 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 31.311 44.548 11.864 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 30.842 44.355 11.053 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 31.751 45.381 11.695 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 84.228 61.781 8.250 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 85.176 61.675 8.327 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 83.896 61.619 9.133 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 60.358 50.165 -19.596 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 60.732 50.274 -20.470 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 60.813 50.813 -19.058 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 49.945 23.075 -4.380 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 49.099 22.949 -4.811 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 49.754 23.657 -3.644 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 69.944 85.634 1.448 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 69.824 84.685 1.488 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 70.881 85.764 1.598 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 65.687 13.070 47.132 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 65.234 13.346 46.335 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 65.853 13.883 47.608 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 59.632 33.973 27.126 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 60.455 34.396 27.371 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 59.478 34.254 26.224 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 69.509 2.715 36.437 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 69.551 3.273 35.660 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 69.459 1.824 36.090 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 59.686 93.128 64.488 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 60.316 92.479 64.802 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 59.508 93.678 65.251 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 52.502 22.113 -9.312 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 51.924 22.054 -10.073 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 51.961 21.825 -8.577 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 55.265 80.638 -4.715 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 55.008 79.733 -4.893 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 56.055 80.562 -4.180 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 49.430 10.912 2.510 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 48.553 10.773 2.151 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 49.437 11.831 2.777 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 20.579 34.555 21.066 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 21.208 34.125 20.487 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 20.787 35.487 20.995 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 41.889 80.386 39.331 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 42.582 80.403 38.671 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 41.265 79.736 39.006 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 71.991 95.420 0.752 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 72.794 95.522 1.262 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 71.388 96.065 1.121 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 82.673 45.743 -11.365 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 81.931 45.931 -11.940 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 83.219 46.528 -11.413 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 81.678 77.829 -1.734 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 81.287 77.201 -2.341 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 81.002 77.978 -1.073 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 63.556 6.875 36.163 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 63.013 6.842 36.951 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 63.902 5.987 36.073 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 31.770 15.291 39.036 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 30.821 15.410 38.989 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 32.104 15.717 38.248 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 20.647 73.153 57.943 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 20.672 73.437 58.857 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 21.027 72.274 57.954 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 28.495 90.114 66.441 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 28.685 89.994 65.511 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 27.541 90.064 66.499 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 51.637 20.292 27.073 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 51.026 20.822 26.560 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 52.438 20.814 27.107 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 22.071 9.673 57.006 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 21.205 9.399 57.307 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 22.490 10.041 57.784 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 61.210 6.148 -19.854 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 61.078 5.667 -19.037 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 61.476 5.480 -20.485 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 32.663 0.850 -0.416 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 32.249 0.199 0.150 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 32.140 1.643 -0.291 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 48.512 48.590 38.235 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 48.612 49.397 37.730 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 49.408 48.301 38.405 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 31.252 89.676 -10.094 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 30.888 90.462 -9.687 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 32.076 89.526 -9.631 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 20.753 3.152 -12.606 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 20.828 3.411 -11.688 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 20.705 2.196 -12.583 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 23.679 1.586 12.328 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 24.541 1.972 12.177 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 23.857 0.662 12.505 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 72.678 7.079 37.923 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 73.619 6.905 37.902 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 72.288 6.252 38.206 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 42.680 17.757 61.000 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 43.276 18.507 60.996 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 43.255 16.994 61.049 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 63.763 44.255 13.920 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 64.166 44.918 14.480 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 62.848 44.228 14.200 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 89.547 95.010 58.489 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 89.683 95.819 57.997 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 88.640 94.765 58.305 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 51.603 7.586 0.049 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 51.714 8.454 0.436 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 52.475 7.353 -0.271 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 87.314 63.116 26.951 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 87.115 63.029 26.019 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 87.925 62.401 27.134 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 21.534 27.640 45.210 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 21.062 27.422 44.406 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 21.069 27.163 45.897 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 80.222 24.057 30.191 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 80.505 23.161 30.374 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 80.797 24.605 30.727 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 31.086 26.062 47.514 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 31.495 25.241 47.786 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 30.238 26.067 47.957 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 63.524 35.127 -12.236 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 64.408 34.775 -12.333 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 63.266 34.887 -11.346 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 74.529 62.881 -11.938 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 73.806 63.433 -12.235 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 75.207 62.995 -12.604 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 55.814 84.673 18.964 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 56.101 85.583 18.887 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 54.940 84.663 18.573 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 69.688 75.523 65.846 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 68.831 75.506 65.420 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 69.502 75.340 66.767 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 26.380 55.271 28.089 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 25.497 55.037 27.803 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 26.822 55.562 27.292 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 58.087 13.554 44.819 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 57.598 14.153 44.255 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 58.643 13.058 44.218 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 45.091 14.717 -2.135 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 45.833 14.698 -1.530 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 44.325 14.823 -1.571 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 58.166 66.537 59.713 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 57.695 66.243 60.493 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 58.143 65.784 59.121 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 76.398 14.976 49.008 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 75.735 15.549 49.393 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 76.026 14.711 48.167 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 68.276 25.337 65.897 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 67.589 24.713 65.662 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 67.932 25.794 66.664 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 74.153 85.897 12.690 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 73.264 86.098 12.985 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 74.675 85.890 13.492 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 78.274 61.816 0.052 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 78.252 61.734 -0.901 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 77.851 61.019 0.372 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 26.180 77.031 -5.408 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 26.326 77.101 -4.464 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 27.048 76.860 -5.773 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 74.419 25.674 19.528 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 75.153 25.512 20.121 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 73.680 25.220 19.931 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 62.023 48.750 8.897 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 61.137 48.477 9.134 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 62.276 49.367 9.583 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 73.637 39.104 37.598 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 74.564 39.294 37.741 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 73.301 39.877 37.144 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 85.337 31.687 13.376 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 84.399 31.802 13.225 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 85.448 30.742 13.482 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 69.912 87.526 18.087 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 69.349 86.889 18.528 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 70.069 87.148 17.221 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 90.128 55.444 42.206 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 90.680 55.432 41.424 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 90.056 54.524 42.461 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 35.503 7.185 23.601 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 35.977 8.013 23.525 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 35.357 7.077 24.541 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 88.957 56.268 -19.013 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 88.956 56.883 -18.280 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 88.647 55.445 -18.637 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 88.782 82.478 -3.522 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 88.834 82.270 -2.590 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 89.547 83.029 -3.688 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 27.069 94.982 10.924 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 27.132 95.778 11.452 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 26.144 94.739 10.966 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 90.685 69.366 6.764 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 89.737 69.386 6.631 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 90.984 68.618 6.247 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 44.109 13.937 35.829 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 44.649 14.056 35.048 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 44.427 14.599 36.444 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 73.657 6.896 -4.320 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 74.274 7.620 -4.428 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 73.981 6.215 -4.909 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 58.285 77.633 27.063 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 58.075 76.830 26.587 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 57.979 78.338 26.492 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 43.894 3.577 56.091 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 44.478 4.295 55.844 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 44.399 3.064 56.721 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 90.135 37.420 11.670 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 89.651 37.067 10.924 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 89.835 36.903 12.417 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 33.739 16.304 -3.364 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 33.230 16.970 -3.827 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 34.504 16.158 -3.919 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 81.528 95.086 39.019 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 82.439 95.377 39.063 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 81.540 94.204 39.391 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 23.357 12.348 61.764 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 23.726 11.584 62.207 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 23.804 13.095 62.162 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 34.995 24.035 -6.199 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 35.287 24.570 -5.461 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 35.518 23.236 -6.137 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 36.115 60.161 -19.233 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 36.456 59.275 -19.106 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 36.895 60.714 -19.275 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 77.649 54.026 30.031 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 77.065 54.663 29.620 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 77.207 53.185 29.915 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 62.079 22.873 -10.168 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 62.242 23.383 -10.961 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 62.443 22.009 -10.360 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 27.701 58.937 34.205 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 28.502 59.455 34.125 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 27.566 58.568 33.332 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 89.462 21.148 4.767 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 90.029 21.592 4.136 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 90.061 20.820 5.438 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 75.896 23.703 11.696 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 75.667 22.891 11.243 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 75.321 24.364 11.309 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 33.361 64.353 35.647 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 34.072 64.670 35.091 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 33.348 64.958 36.389 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 70.667 26.073 47.968 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 70.872 25.438 48.655 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 70.659 26.918 48.418 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 21.801 84.876 -2.349 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 21.766 85.171 -1.438 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 22.722 84.663 -2.497 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 20.437 5.024 8.887 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 21.356 5.161 9.117 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 20.126 4.376 9.520 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 85.753 18.511 -12.211 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 86.317 18.779 -11.487 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 84.871 18.758 -11.932 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 86.450 8.628 65.383 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 87.258 8.940 65.790 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 86.000 9.424 65.099 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 68.308 91.911 40.956 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 68.253 92.867 40.961 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 68.920 91.710 40.248 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 71.873 69.127 10.036 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 71.176 68.495 9.861 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 71.464 69.981 9.894 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 45.528 28.086 4.385 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 45.316 28.769 3.749 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 46.201 28.477 4.942 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 42.848 48.338 -5.605 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 42.648 49.119 -5.088 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 41.998 47.923 -5.750 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 34.654 62.608 53.620 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 35.521 62.495 53.230 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 34.380 63.484 53.348 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 25.934 27.513 62.058 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 26.237 27.313 62.944 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 25.920 28.469 62.019 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 64.497 16.067 19.519 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 64.812 15.673 20.333 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 64.596 17.009 19.654 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 72.294 85.360 55.660 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 72.250 85.086 54.744 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 73.225 85.320 55.879 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 64.878 44.967 25.093 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 65.034 45.552 24.352 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 65.302 45.400 25.834 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 72.296 16.459 9.949 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 71.562 16.647 10.533 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 72.545 17.313 9.594 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 39.615 0.429 -17.844 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 38.802 0.036 -18.164 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 39.599 0.276 -16.900 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 35.695 18.133 37.474 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 36.509 17.675 37.684 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 35.859 18.538 36.622 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 71.700 62.533 7.384 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 71.889 62.990 8.204 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 70.997 61.922 7.607 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 41.556 62.643 6.531 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 42.231 62.122 6.965 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 41.938 63.517 6.456 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 23.978 43.555 6.470 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 23.278 43.887 7.032 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 24.125 44.253 5.831 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 73.503 1.292 44.748 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 72.788 0.690 44.957 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 73.378 2.029 45.345 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 77.189 38.222 28.567 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 77.916 38.385 27.966 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 76.878 39.094 28.810 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 38.028 57.749 40.923 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 38.632 57.340 41.543 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 38.591 58.087 40.226 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 34.609 78.849 36.386 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 33.863 79.401 36.151 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 34.787 79.062 37.302 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 70.534 11.835 -15.798 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 70.071 12.349 -16.460 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 70.919 12.488 -15.213 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 56.980 24.447 33.313 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 57.497 24.739 32.563 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 56.285 23.911 32.932 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 78.072 12.533 -12.061 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 77.245 12.822 -12.447 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 77.825 12.173 -11.209 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 53.302 89.541 4.262 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 52.523 89.493 4.816 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 53.831 90.237 4.652 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 44.679 13.175 13.676 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 44.092 13.831 14.052 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 45.451 13.193 14.241 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 36.471 0.013 24.909 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 37.293 -0.263 25.314 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 36.297 0.877 25.282 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 28.254 74.408 47.461 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 28.285 74.165 46.535 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 28.663 73.672 47.915 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 73.619 21.780 61.350 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 73.517 21.703 62.299 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 74.499 22.136 61.232 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 78.638 64.859 44.458 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 77.832 64.678 43.975 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 78.654 64.200 45.152 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 49.360 5.020 6.752 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 49.151 4.545 7.556 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 49.202 4.388 6.051 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 76.305 6.876 -0.112 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 75.814 6.396 0.555 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 75.675 7.502 -0.469 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 74.055 88.856 38.397 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 73.876 89.124 37.496 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 74.408 89.641 38.815 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 76.664 40.669 30.415 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 76.088 41.433 30.384 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 77.348 40.858 29.772 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 28.627 17.387 -17.693 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 28.443 17.075 -16.807 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 28.669 16.592 -18.224 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 84.720 83.789 7.115 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 85.333 83.289 7.655 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 83.858 83.575 7.473 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 85.266 35.407 45.802 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 85.490 36.121 45.205 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 85.813 35.559 46.573 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 66.143 43.697 12.690 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 65.613 43.885 13.464 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 66.184 42.741 12.654 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 39.769 6.498 65.518 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 40.714 6.633 65.454 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 39.545 5.989 64.739 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 36.443 10.447 -18.411 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 35.808 10.046 -19.005 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 36.128 11.343 -18.292 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 21.302 68.139 14.914 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 21.501 69.071 14.828 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 22.065 67.771 15.361 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 78.281 53.038 11.688 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 77.440 53.396 11.971 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 78.877 53.224 12.414 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 75.030 66.679 52.813 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 75.975 66.678 52.660 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 74.646 66.759 51.940 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 67.121 55.927 33.845 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 67.361 56.854 33.848 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 66.492 55.844 33.128 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 73.016 53.470 27.395 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 72.534 54.267 27.614 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 73.145 53.030 28.235 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 53.140 11.145 65.376 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 53.088 11.195 64.422 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 52.740 10.303 65.595 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 59.351 33.406 56.458 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 59.459 34.348 56.593 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 58.505 33.322 56.019 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 27.467 70.683 33.203 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 26.888 70.727 33.964 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 27.272 69.837 32.801 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 72.149 23.925 59.965 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 72.409 23.338 60.675 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 72.004 23.346 59.216 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 65.500 85.194 1.127 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 66.109 84.505 0.861 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 65.842 85.505 1.965 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 22.047 32.542 19.361 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 22.946 32.729 19.089 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 21.722 31.924 18.706 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 67.892 93.225 51.178 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 68.453 92.462 51.044 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 68.495 93.928 51.421 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 35.004 41.988 -9.139 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 34.295 42.600 -8.942 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 35.787 42.403 -8.777 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 70.000 33.658 -14.705 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 69.761 32.986 -14.066 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 70.408 33.172 -15.422 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 61.917 90.529 48.008 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 62.739 91.018 48.020 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 61.530 90.730 47.156 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 37.704 16.806 0.303 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 37.355 17.324 1.028 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 37.274 17.162 -0.475 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 49.119 49.294 9.133 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 49.682 49.025 8.407 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 49.622 49.079 9.919 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 86.913 30.558 6.043 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 87.692 30.079 5.760 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 87.237 31.175 6.699 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 85.486 93.069 40.770 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 85.216 92.473 41.468 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 85.358 92.568 39.964 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 71.373 4.232 -4.879 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 70.597 4.184 -5.437 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 72.098 4.377 -5.487 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 60.166 24.193 19.231 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 59.668 24.483 19.995 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 59.643 23.482 18.860 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 68.830 24.246 53.588 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 69.759 24.303 53.366 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 68.378 24.604 52.824 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 71.334 23.304 1.137 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 70.644 23.842 0.749 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 70.872 22.722 1.741 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 82.472 53.405 13.220 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 83.422 53.519 13.255 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 82.133 54.280 13.030 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 43.769 23.372 45.422 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 44.020 24.092 46.001 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 43.689 23.775 44.558 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 60.495 16.411 48.125 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 59.950 16.253 47.353 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 61.341 16.021 47.905 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 37.470 42.216 2.846 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 36.794 41.542 2.779 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 38.101 41.861 3.472 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 23.052 46.866 11.177 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 23.566 46.713 11.970 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 22.935 45.997 10.795 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 84.456 53.614 44.783 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 83.730 53.581 45.406 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 85.139 54.108 45.235 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 89.890 39.286 26.622 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 89.959 39.955 25.940 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 90.638 38.709 26.468 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 52.220 82.165 55.570 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 51.710 81.751 54.874 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 51.761 81.930 56.376 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 85.599 94.310 53.320 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 85.624 94.842 54.116 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 85.160 93.502 53.584 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 67.361 49.391 6.707 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 66.990 50.269 6.786 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 66.900 48.875 7.368 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 67.759 86.943 3.054 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 68.627 86.632 2.795 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 67.263 86.145 3.237 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 60.043 4.354 -17.795 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 59.389 3.705 -17.537 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 60.556 4.507 -17.001 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 33.014 29.954 51.973 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 32.237 29.592 51.548 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 33.245 29.309 52.641 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 37.555 42.383 10.845 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 38.344 42.906 10.697 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 36.979 42.605 10.114 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 49.844 35.426 39.014 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 49.971 36.075 38.321 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 50.726 35.114 39.214 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 79.930 89.330 31.866 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 80.188 89.354 30.944 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 79.269 90.017 31.948 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 26.275 63.084 32.584 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 26.954 62.419 32.468 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 26.602 63.846 32.107 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 25.698 80.503 61.493 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 26.612 80.683 61.274 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 25.230 80.595 60.663 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 55.865 24.924 9.826 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 55.855 25.827 9.510 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 55.689 24.996 10.765 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 31.745 40.420 53.043 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 31.939 41.193 52.513 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 32.510 39.855 52.933 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 42.605 44.998 -8.379 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 42.549 45.857 -8.797 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 42.076 45.083 -7.585 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 59.837 32.067 28.953 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 59.736 31.363 28.312 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 59.761 32.872 28.441 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 43.657 86.129 38.339 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 44.127 86.749 38.897 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 44.300 85.860 37.683 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 28.062 65.065 -15.636 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 28.889 65.414 -15.968 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 27.995 64.194 -16.028 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 81.535 54.625 40.136 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 81.176 53.763 40.347 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 82.008 54.887 40.926 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 71.405 17.272 -3.400 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 71.389 17.640 -2.516 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 71.722 16.377 -3.282 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 62.632 54.989 -14.336 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 63.513 55.076 -14.699 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 62.772 54.809 -13.406 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 75.955 27.349 5.326 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 75.849 26.435 5.590 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 75.231 27.808 5.752 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 77.817 78.512 32.557 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 78.626 79.017 32.471 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 77.894 78.077 33.406 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 45.773 5.439 5.956 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 46.686 5.667 5.781 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 45.699 5.457 6.910 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 41.633 20.657 -0.791 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 42.298 20.974 -0.179 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 41.082 20.076 -0.267 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 65.605 86.771 30.569 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 64.988 87.216 31.150 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 66.445 87.198 30.737 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 73.439 35.820 -8.259 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 72.725 36.429 -8.445 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 73.891 35.717 -9.096 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 38.852 7.732 60.668 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 39.278 7.758 59.811 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 39.572 7.642 61.292 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 67.167 16.595 37.578 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 66.454 17.042 38.034 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 66.979 16.728 36.649 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 54.290 21.273 51.077 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 55.099 20.768 50.992 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 53.595 20.651 50.861 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 86.165 4.255 -18.881 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 85.979 4.080 -17.959 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 87.085 4.013 -18.990 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 72.447 69.863 15.976 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 71.999 69.656 16.796 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 71.800 70.350 15.465 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 48.408 53.691 46.085 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 48.074 53.064 45.443 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 48.226 54.548 45.699 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 25.850 67.143 55.922 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 26.783 67.114 55.712 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 25.419 67.300 55.082 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 62.182 7.096 38.639 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 61.546 7.741 38.330 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 61.692 6.551 39.254 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 35.933 66.858 3.970 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 35.175 66.409 4.345 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 36.157 66.342 3.196 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 62.531 38.188 34.831 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 62.289 38.969 34.334 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 61.933 38.184 35.578 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 20.629 14.658 50.800 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 20.154 14.632 49.970 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 21.076 15.505 50.795 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 40.331 93.978 -4.821 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 39.568 94.247 -4.309 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 40.113 94.218 -5.721 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 76.967 71.617 25.035 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 76.635 71.606 24.137 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 76.242 71.964 25.555 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 47.294 46.711 66.738 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 47.030 47.630 66.688 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 47.872 46.669 67.500 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 65.611 64.240 24.283 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 65.024 63.903 24.960 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 65.144 64.089 23.462 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 68.760 63.027 37.756 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 68.249 62.738 37.000 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 69.622 62.630 37.630 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 71.664 8.659 -12.801 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 71.484 9.295 -12.109 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 72.352 8.100 -12.440 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 58.917 84.051 13.653 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 59.551 83.596 13.099 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 58.371 84.542 13.039 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 27.643 86.630 49.338 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 26.932 86.691 48.700 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 28.122 87.453 49.244 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 36.547 8.621 7.981 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 37.364 8.459 7.509 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 36.758 8.436 8.896 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 49.541 31.304 13.055 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 48.613 31.296 13.287 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 49.588 30.807 12.238 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 67.552 25.500 21.474 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 68.501 25.580 21.371 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 67.364 24.586 21.264 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 71.259 90.761 15.641 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 70.515 91.342 15.802 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 72.005 91.211 16.038 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 35.725 27.946 -19.611 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 35.319 28.438 -18.897 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 35.356 28.329 -20.406 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 44.967 63.189 67.672 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 44.286 62.718 67.191 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 45.605 63.438 67.002 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 78.885 42.809 5.250 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 78.043 42.355 5.231 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 78.816 43.411 5.992 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 41.719 31.011 61.460 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 41.311 31.110 60.600 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 42.497 31.567 61.423 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 79.750 2.109 -16.293 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 79.304 2.614 -16.973 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 80.202 1.413 -16.769 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 36.439 18.781 1.759 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 36.171 18.792 0.840 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 37.124 19.448 1.817 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 84.728 45.125 27.427 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 85.259 45.089 28.222 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 85.304 44.791 26.739 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 44.267 63.552 -14.155 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 44.638 62.692 -13.957 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 43.902 63.459 -15.035 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 34.861 24.061 54.621 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 35.265 24.883 54.343 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 34.641 24.201 55.542 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 45.912 73.442 -10.175 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 46.672 73.036 -10.591 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 45.506 73.961 -10.870 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 29.179 44.568 9.737 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 29.259 45.521 9.684 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 28.519 44.420 10.414 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 75.268 33.455 41.073 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 75.579 33.031 41.873 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 75.963 34.072 40.843 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 80.503 63.340 26.800 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 80.849 63.227 25.915 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 80.892 64.159 27.107 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 77.152 13.769 0.626 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 77.655 14.229 1.297 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 76.901 14.452 0.003 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 81.047 47.994 -12.903 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 80.819 48.905 -13.089 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 81.985 48.015 -12.717 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 35.951 58.318 12.805 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 36.804 57.891 12.890 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 36.157 59.216 12.547 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 22.240 4.864 56.644 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 22.605 5.154 55.808 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 21.311 4.721 56.463 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 85.055 68.509 52.980 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 85.826 67.949 52.893 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 85.378 69.392 52.802 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 78.420 46.182 37.898 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 78.595 46.423 36.989 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 78.628 46.970 38.400 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 39.839 35.874 29.411 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 40.704 36.007 29.799 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 39.797 36.509 28.696 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 52.921 47.097 18.818 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 52.457 47.830 18.412 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 52.246 46.431 18.950 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 45.975 6.675 62.270 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 46.410 5.903 62.634 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 46.637 7.365 62.313 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 63.674 51.034 2.146 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 63.177 51.262 1.360 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 63.290 51.573 2.838 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 47.752 43.954 33.141 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 48.254 43.348 32.596 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 47.339 43.398 33.801 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 59.219 25.650 -11.053 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 58.756 25.714 -10.218 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 58.975 24.791 -11.398 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 80.878 52.057 -0.651 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 80.445 52.376 -1.442 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 80.519 52.597 0.053 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 28.240 85.889 -0.206 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 27.740 85.075 -0.150 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 28.932 85.790 0.448 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 89.484 75.129 66.748 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 89.599 75.830 66.106 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 90.061 75.370 67.473 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 29.459 34.878 47.020 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 29.776 35.238 47.848 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 30.044 34.141 46.839 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 49.068 59.342 -8.024 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 49.295 59.110 -7.124 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 48.467 60.081 -7.937 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 52.816 83.566 25.089 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 53.599 83.977 25.456 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 52.086 84.008 25.523 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 32.763 1.658 19.826 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 32.029 2.101 20.253 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 33.541 2.027 20.244 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 24.211 16.395 61.747 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 23.582 17.110 61.850 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 23.778 15.636 62.138 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 78.581 50.676 19.465 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 78.905 50.117 20.171 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 78.316 51.486 19.901 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 78.452 43.095 32.391 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 78.667 42.907 31.477 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 77.534 42.839 32.478 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 73.017 41.532 49.697 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 73.080 41.581 50.651 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 73.895 41.277 49.411 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 68.369 59.804 3.040 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 68.345 60.256 3.884 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 69.148 59.251 3.086 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 81.369 30.002 -16.118 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 80.451 29.766 -16.257 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 81.843 29.536 -16.806 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 75.724 59.247 34.516 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 76.453 59.791 34.218 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 75.367 59.718 35.270 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 68.061 35.493 10.503 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 68.648 36.001 11.063 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 67.816 36.097 9.801 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 73.953 37.463 -18.338 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 74.224 37.837 -19.177 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 74.768 37.357 -17.848 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 83.253 12.677 55.879 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 82.963 13.406 55.330 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 83.766 12.124 55.290 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 86.707 23.349 -15.108 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 87.119 23.975 -15.702 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 87.237 22.556 -15.188 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 60.754 24.630 -0.109 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 60.105 23.930 -0.182 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 60.479 25.133 0.658 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 85.549 7.253 10.819 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 84.661 7.475 10.539 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 86.063 7.260 10.011 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 21.520 96.742 -6.456 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 22.258 97.305 -6.221 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 21.831 95.853 -6.285 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 34.455 31.650 -3.134 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 33.735 31.157 -2.741 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 34.837 32.139 -2.404 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 85.884 27.643 30.957 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 86.727 28.078 30.831 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 85.484 27.638 30.087 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 60.916 50.462 4.496 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 61.449 49.902 5.062 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 61.219 51.350 4.684 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 75.620 56.809 10.222 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 75.024 57.397 10.687 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 75.048 56.146 9.834 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 36.309 82.261 38.265 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 36.610 82.634 39.094 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 36.276 83.006 37.664 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 49.364 76.454 0.477 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 49.887 76.229 1.247 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 49.020 75.616 0.167 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 61.917 41.484 -16.012 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 62.228 40.947 -16.741 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 61.886 42.374 -16.365 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 64.664 20.533 23.208 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 64.666 21.110 22.445 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 63.945 20.855 23.751 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 62.087 23.059 7.141 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 61.316 23.438 6.719 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 61.830 22.161 7.349 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 84.054 1.650 56.356 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 83.621 2.248 55.747 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 84.407 2.217 57.041 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 38.370 1.900 47.409 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 38.795 2.406 48.101 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 39.086 1.637 46.830 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 48.836 18.778 -16.014 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 49.194 19.606 -16.333 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 49.593 18.308 -15.664 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 63.846 84.670 56.876 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 63.778 83.719 56.969 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 63.716 85.008 57.762 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 87.642 77.448 64.631 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 88.586 77.376 64.769 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 87.533 77.401 63.682 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 20.170 62.725 25.549 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 21.050 62.366 25.441 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 19.586 62.015 25.282 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 54.278 73.417 50.295 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 54.231 72.530 49.939 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 55.165 73.486 50.649 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 72.977 74.204 0.712 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 72.418 73.793 1.371 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 72.452 74.194 -0.089 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 85.369 69.599 64.910 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 84.693 69.716 65.577 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 85.270 70.355 64.332 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 29.212 89.359 63.899 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 28.727 90.085 63.506 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 29.973 89.243 63.330 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 86.564 6.419 -9.996 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 86.701 7.346 -9.800 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 86.053 6.091 -9.257 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 51.925 73.523 -11.618 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 51.805 72.777 -11.031 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 51.050 73.898 -11.713 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 90.429 42.821 63.652 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 89.721 43.460 63.735 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 90.809 42.769 64.529 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 87.718 70.648 -10.009 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 88.480 70.229 -9.607 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 87.080 70.718 -9.298 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 25.984 50.649 12.097 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 26.673 50.129 12.511 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 26.348 50.896 11.247 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 39.442 55.985 -2.794 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 38.859 56.107 -2.045 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 40.320 56.129 -2.440 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 85.331 22.508 3.492 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 85.918 23.118 3.940 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 84.885 23.042 2.836 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 88.425 51.022 2.378 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 88.571 51.933 2.634 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 88.225 50.572 3.199 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 56.721 57.563 -14.681 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 55.848 57.735 -15.033 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 56.877 56.638 -14.868 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 37.495 24.929 17.225 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 38.246 24.470 16.848 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 37.849 25.377 17.994 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 27.126 54.374 23.191 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 26.442 54.015 22.626 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 27.209 55.287 22.916 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 26.439 59.598 38.811 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 27.224 59.172 39.158 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 26.359 60.405 39.320 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 90.166 31.306 46.447 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 89.541 32.003 46.645 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 90.077 31.164 45.505 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 73.975 17.827 53.715 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 73.468 18.321 54.359 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 74.464 18.493 53.232 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 82.304 41.346 35.741 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 81.399 41.320 35.432 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 82.231 41.413 36.693 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 39.092 3.057 55.296 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 39.849 2.577 54.961 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 39.080 2.862 56.233 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 80.351 70.437 62.981 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 81.078 69.986 63.411 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 79.726 70.609 63.685 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 34.489 94.565 19.173 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 33.598 94.412 19.488 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 34.375 95.045 18.353 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 22.918 62.039 -8.973 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 23.650 62.373 -8.454 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 23.003 62.478 -9.819 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 47.371 91.409 28.811 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 47.540 91.618 29.730 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 47.993 90.712 28.605 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 31.430 95.674 1.224 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 31.010 95.014 0.672 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 31.799 95.178 1.954 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 72.314 38.260 4.777 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 71.982 37.376 4.619 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 71.718 38.626 5.430 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 73.248 27.242 17.599 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 73.626 27.864 16.977 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 74.001 26.768 17.952 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 52.409 49.602 -13.014 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 52.516 49.163 -12.170 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 51.482 49.493 -13.226 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 71.894 96.425 6.035 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 71.901 96.644 6.967 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 72.759 96.052 5.869 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 59.865 60.487 -10.648 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 59.952 60.220 -9.733 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 59.882 59.666 -11.140 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 48.696 70.750 48.903 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 48.144 70.534 49.655 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 49.249 69.978 48.783 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 82.711 48.267 50.366 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 83.012 49.117 50.687 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 83.514 47.802 50.131 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 38.891 68.191 -2.429 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 39.648 68.207 -1.843 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 38.199 68.635 -1.940 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 81.469 81.694 -16.700 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 80.617 81.788 -16.274 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 81.887 82.548 -16.592 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 61.456 39.842 44.765 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 60.627 39.442 44.505 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 61.858 39.202 45.353 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 60.278 71.263 55.436 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 60.838 70.661 55.925 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 59.399 70.892 55.517 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 32.549 36.860 32.143 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 33.023 37.687 32.058 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 31.837 36.924 31.506 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 29.828 69.127 16.984 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 29.413 69.790 17.537 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 30.379 68.625 17.583 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 33.478 39.699 39.278 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 32.656 39.249 39.472 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 33.793 39.289 38.473 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 21.959 25.321 19.107 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 21.118 25.508 18.691 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 22.504 26.081 18.900 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 46.519 93.119 65.123 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 45.707 93.346 64.671 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 46.996 92.571 64.501 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 21.756 40.057 -0.860 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 20.897 39.826 -0.508 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 22.346 39.390 -0.509 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 68.011 84.474 -14.341 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 67.982 83.753 -14.970 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 67.173 84.923 -14.452 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 83.360 88.143 -17.870 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 83.451 88.462 -18.768 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 84.229 88.254 -17.486 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 87.239 44.649 5.175 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 87.474 44.572 4.250 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 87.755 45.390 5.492 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 55.490 74.212 -13.840 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 56.046 73.588 -13.374 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 54.625 73.804 -13.847 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 68.850 72.367 64.769 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 68.239 72.089 64.086 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 69.415 71.607 64.910 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 73.585 11.595 49.858 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 72.690 11.761 50.153 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 73.990 12.461 49.819 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 76.567 87.009 42.298 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 76.670 86.223 41.760 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 75.624 87.171 42.307 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 45.550 2.037 50.523 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 45.364 2.441 51.371 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 45.595 1.099 50.709 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 85.067 0.344 43.139 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 84.202 0.229 42.745 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 85.442 -0.537 43.156 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 26.756 51.685 51.609 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 27.070 51.897 52.488 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 26.789 50.729 51.566 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 26.043 54.747 -1.360 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 26.995 54.791 -1.451 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 25.771 54.096 -2.006 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 36.642 29.372 35.910 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 36.960 29.316 36.812 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 37.032 30.177 35.568 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 75.974 56.399 35.582 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 75.592 55.983 36.354 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 75.682 57.310 35.631 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 81.091 46.545 53.660 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 80.724 46.819 54.500 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 81.546 47.321 53.332 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 69.192 47.440 16.968 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 69.002 46.851 17.698 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 68.376 47.476 16.470 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 42.785 78.101 33.194 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 42.989 77.185 33.381 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 41.834 78.159 33.284 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 51.680 91.036 -4.736 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 52.044 91.764 -5.239 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 51.780 90.275 -5.309 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 24.449 79.748 27.283 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 24.343 79.910 26.346 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 24.152 78.846 27.405 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 81.803 39.783 1.481 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 82.313 39.480 0.729 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 81.465 38.982 1.881 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 54.107 8.916 1.765 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 54.339 8.172 2.321 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 53.238 9.180 2.068 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 40.667 13.735 -0.267 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 40.184 13.944 -1.067 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 41.571 13.615 -0.557 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 20.673 21.403 2.747 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 20.946 20.489 2.671 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 21.450 21.859 3.071 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 49.559 74.318 61.264 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 49.811 73.402 61.381 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 49.109 74.336 60.419 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 41.409 91.235 -4.562 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 41.989 91.460 -3.835 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 40.981 92.060 -4.792 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 36.572 66.196 -4.986 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 35.876 66.677 -4.539 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 36.447 65.286 -4.716 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 30.097 7.382 -10.078 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 30.909 6.928 -9.852 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 29.432 6.974 -9.523 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 35.081 21.489 14.130 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 35.951 21.181 14.384 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 35.137 22.442 14.188 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 42.955 63.178 57.427 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 43.347 63.735 56.755 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 42.363 62.600 56.946 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 83.481 84.126 19.588 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 82.834 83.457 19.814 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 84.323 83.674 19.644 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 49.049 46.365 -9.333 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 49.428 46.048 -8.513 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 49.051 47.318 -9.246 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 31.115 33.188 -3.664 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 30.590 33.271 -4.460 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 30.916 33.979 -3.162 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 82.972 8.275 67.066 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 83.914 8.246 66.898 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 82.673 9.064 66.614 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 69.314 45.104 61.473 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 69.697 45.826 60.975 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 68.856 45.529 62.198 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 73.613 3.148 1.379 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 73.758 4.094 1.392 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 73.835 2.884 0.486 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 79.802 53.050 20.764 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 78.977 53.535 20.723 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 80.307 53.373 20.018 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 68.510 89.414 62.568 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 67.780 88.798 62.625 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 69.257 88.936 62.927 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 63.801 89.002 28.825 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 62.852 88.999 28.703 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 64.008 88.114 29.118 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 72.569 16.997 6.545 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 73.452 16.725 6.796 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 72.614 17.952 6.505 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 68.371 19.961 32.388 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 67.826 19.714 31.641 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 68.777 19.142 32.670 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 49.213 79.862 38.379 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 48.472 79.311 38.125 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 49.481 80.291 37.566 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 29.756 21.208 58.972 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 28.987 20.770 59.338 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 29.779 22.059 59.409 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 73.719 0.523 2.309 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 73.532 1.188 1.646 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 73.865 1.021 3.113 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 65.822 32.044 15.722 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 65.598 31.526 16.495 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 65.677 32.952 15.991 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 80.224 30.594 39.357 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 81.065 30.980 39.113 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 80.111 29.862 38.751 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 83.394 31.405 -6.102 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 83.006 30.829 -5.444 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 83.901 32.041 -5.597 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 29.477 20.803 9.873 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 29.446 21.144 8.979 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 30.093 21.376 10.328 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 37.394 25.351 -12.713 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 37.002 26.223 -12.692 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 37.774 25.237 -11.842 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 42.984 10.248 65.277 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 42.548 10.136 64.432 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 43.905 10.387 65.055 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 88.408 0.011 -17.883 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 87.750 0.361 -18.484 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 89.115 -0.293 -18.452 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 28.176 32.958 -0.837 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 29.024 33.119 -1.249 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 28.203 33.465 -0.025 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 54.469 89.760 34.866 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 54.943 88.975 35.141 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 53.573 89.458 34.712 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 84.467 40.605 41.918 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 84.554 40.670 42.869 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 84.283 41.499 41.631 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 44.922 2.742 35.315 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 44.632 2.027 34.749 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 45.530 2.331 35.929 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 39.905 22.124 63.569 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 40.365 22.963 63.601 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 40.214 21.712 62.763 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 73.683 79.492 0.528 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 73.143 78.823 0.951 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 74.529 79.432 0.971 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 68.387 79.448 46.737 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 67.664 79.867 47.205 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 68.058 78.575 46.522 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 33.871 53.586 37.132 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 33.240 54.135 36.667 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 33.382 52.795 37.357 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 78.684 73.324 21.973 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 78.011 72.789 22.394 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 79.201 72.701 21.462 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 44.392 7.374 26.203 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 44.011 7.250 27.072 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 44.181 8.279 25.975 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 27.786 96.433 -12.622 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 28.515 96.505 -13.238 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 28.077 96.914 -11.848 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 61.356 0.510 -16.757 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 60.892 0.808 -15.974 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 61.574 1.315 -17.227 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 24.112 92.139 5.858 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 24.789 92.172 5.182 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 23.952 93.055 6.083 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 36.187 79.135 -4.470 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 36.266 78.824 -3.568 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 35.875 78.373 -4.959 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 74.337 9.344 -7.842 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 73.817 9.785 -8.514 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 74.878 8.722 -8.327 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 71.166 89.898 64.384 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 70.727 90.114 65.207 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 71.816 90.591 64.270 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 38.190 34.969 6.876 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 38.080 34.095 6.501 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 37.642 35.535 6.331 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 41.628 18.985 -16.894 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 42.028 18.411 -16.241 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 41.182 19.658 -16.380 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 90.449 67.068 25.118 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 90.790 66.419 25.733 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 90.019 66.551 24.437 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 37.297 84.970 10.019 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 36.685 84.831 10.742 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 37.645 84.099 9.827 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 38.415 76.793 61.546 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 39.214 76.915 62.058 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 38.565 77.293 60.744 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 65.552 54.515 4.421 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 65.347 53.588 4.306 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 65.750 54.604 5.353 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 28.646 65.320 23.425 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 29.007 65.475 24.298 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 29.397 65.399 22.837 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 65.056 37.861 63.837 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 65.820 38.414 64.000 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 64.413 38.142 64.489 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 34.535 94.621 24.672 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 35.077 95.385 24.475 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 33.638 94.953 24.661 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 46.943 40.080 38.187 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 47.551 40.105 37.449 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 46.886 40.989 38.482 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 58.929 0.254 15.453 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 58.040 -0.085 15.345 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 59.196 0.513 14.571 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 28.834 75.205 61.181 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 28.850 74.252 61.091 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 29.205 75.370 62.048 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 31.569 70.021 31.402 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 32.126 69.624 32.072 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 32.174 70.518 30.851 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 25.270 17.610 -16.825 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 25.561 17.841 -17.707 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 24.906 18.422 -16.473 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 20.112 38.266 4.003 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 20.923 37.770 4.117 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 20.356 39.172 4.195 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 58.309 13.770 3.675 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 58.778 12.981 3.403 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 57.748 13.479 4.394 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 52.219 10.359 58.736 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 53.144 10.416 58.495 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 52.133 10.936 59.495 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 47.126 15.666 16.439 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 46.347 16.174 16.212 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 47.839 16.097 15.968 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 24.405 74.721 16.861 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 24.293 75.472 17.444 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 23.552 74.287 16.862 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 28.446 56.470 44.696 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 27.735 56.372 44.063 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 28.106 56.078 45.501 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 47.129 70.990 30.869 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 47.483 70.514 31.620 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 47.582 70.616 30.113 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 83.764 46.644 15.657 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 84.424 45.955 15.740 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 82.927 46.184 15.717 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 26.780 6.009 -1.440 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 27.336 5.378 -0.982 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 27.116 6.019 -2.336 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 29.757 90.709 27.810 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 28.993 90.794 27.239 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 30.506 90.734 27.215 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 62.224 42.147 5.763 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 62.281 43.099 5.845 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 62.298 41.823 6.660 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 44.525 23.072 -1.628 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 45.382 22.987 -2.045 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 44.687 22.879 -0.705 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 90.416 31.003 33.249 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 89.857 31.761 33.078 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 91.088 31.330 33.847 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 38.254 59.382 -5.478 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 37.885 59.867 -4.739 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 37.865 58.510 -5.410 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 62.493 26.715 -3.310 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 62.416 26.936 -4.238 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 61.591 26.583 -3.019 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 44.650 70.684 -4.898 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 44.620 70.371 -3.994 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 45.580 70.827 -5.072 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 61.128 71.059 60.873 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 61.030 71.863 61.382 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 62.067 70.873 60.896 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 58.595 59.710 62.318 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 58.586 59.439 63.236 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 58.676 60.663 62.350 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 81.005 30.773 -13.292 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 80.252 30.276 -12.973 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 80.692 31.197 -14.091 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 74.301 40.258 -4.698 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 73.854 39.653 -5.290 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 73.699 40.997 -4.611 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 78.462 50.682 49.826 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 77.938 51.450 49.600 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 79.356 50.918 49.576 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 53.603 18.336 24.695 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 53.951 19.220 24.578 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 52.658 18.431 24.575 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 32.378 20.834 27.436 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 32.221 21.139 26.543 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 33.249 21.167 27.654 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 87.454 5.263 0.039 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 87.184 5.674 0.860 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 88.384 5.475 -0.041 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 73.270 88.000 59.945 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 73.490 87.074 60.048 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 72.561 88.008 59.302 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 49.691 71.471 -6.201 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 50.429 71.585 -5.603 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 49.945 70.736 -6.759 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 58.993 70.654 59.243 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 58.725 71.536 58.984 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 59.723 70.792 59.847 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 49.065 20.856 20.902 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 48.796 20.795 21.818 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 48.897 21.768 20.663 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 67.501 51.262 36.390 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 67.337 51.995 35.797 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 67.223 50.488 35.899 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 38.360 45.697 28.482 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 38.896 45.569 27.699 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 38.964 45.555 29.211 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 32.659 0.645 47.278 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 33.194 0.091 47.847 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 33.289 1.218 46.841 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 82.027 21.147 65.784 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 82.293 21.906 66.302 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 82.660 21.110 65.067 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 61.572 29.800 14.012 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 60.727 30.183 14.248 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 61.449 28.858 14.128 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 54.970 76.852 37.711 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 54.195 77.164 38.180 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 55.539 77.619 37.651 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 34.716 86.732 13.181 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 34.965 85.879 12.824 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 35.061 86.728 14.074 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 39.332 69.532 15.900 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 38.551 69.045 16.161 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 39.062 70.020 15.122 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 45.839 43.372 36.770 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 45.240 42.658 36.553 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 45.663 44.042 36.110 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 29.618 40.032 -1.059 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 29.766 40.650 -1.775 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 30.422 39.514 -1.020 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 57.546 25.650 30.350 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 57.830 24.826 29.952 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 58.230 26.277 30.116 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 88.263 36.332 -18.677 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 87.953 36.765 -17.882 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 88.116 36.973 -19.373 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 89.000 29.480 -15.355 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 88.255 29.964 -14.999 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 88.945 28.618 -14.941 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 62.334 6.175 28.747 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 63.101 6.440 28.240 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 62.547 6.416 29.649 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 57.846 88.616 66.404 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 57.985 87.887 67.009 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 57.690 88.198 65.557 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 64.552 82.528 42.370 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 65.021 82.307 41.565 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 64.960 81.983 43.043 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 66.861 24.988 -8.613 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 66.973 24.433 -9.384 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 65.921 24.963 -8.433 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 80.936 65.466 29.499 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 80.037 65.151 29.407 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 80.848 66.413 29.612 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 32.020 72.482 -10.682 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 32.245 72.372 -11.606 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 31.405 73.216 -10.671 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 80.181 48.601 23.654 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 80.509 47.777 24.013 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 79.905 49.104 24.421 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 78.742 84.784 35.331 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 78.430 84.826 34.427 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 77.945 84.810 35.861 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 45.060 83.783 27.131 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 44.300 83.740 26.552 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 44.998 82.994 27.669 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 36.188 43.944 28.734 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 36.668 43.234 29.161 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 36.816 44.665 28.687 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 78.899 46.030 66.803 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 78.705 45.735 65.913 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 78.661 46.957 66.805 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 26.625 68.448 15.520 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 26.521 67.507 15.380 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 27.025 68.519 16.387 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 54.952 4.848 63.192 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 55.458 4.896 64.003 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 55.116 3.966 62.858 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 62.819 33.522 52.706 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 62.942 33.461 53.653 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 61.892 33.326 52.571 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 31.409 51.470 -14.333 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 31.605 50.830 -15.017 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 30.710 51.066 -13.820 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 51.910 89.913 21.569 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 50.997 89.960 21.288 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 51.863 89.749 22.511 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 64.149 77.593 40.402 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 63.225 77.415 40.231 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 64.548 76.727 40.489 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 59.002 72.216 -13.609 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 59.209 72.749 -12.841 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 58.065 72.037 -13.531 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 51.835 30.495 -3.847 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 51.750 30.099 -2.980 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 51.757 31.436 -3.691 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 33.296 34.467 32.235 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 33.025 34.096 31.395 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 33.092 35.399 32.162 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 72.905 42.272 6.942 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 73.611 42.655 7.462 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 72.147 42.277 7.526 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 30.995 63.247 22.611 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 30.929 63.755 21.803 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 31.781 63.581 23.042 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 72.124 21.647 9.713 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 71.216 21.378 9.571 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 72.330 22.201 8.961 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 56.432 23.393 -13.569 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 56.290 24.302 -13.306 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 57.162 23.433 -14.188 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 27.826 37.084 -19.192 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 28.726 37.273 -18.926 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 27.886 36.254 -19.664 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 82.625 35.108 46.452 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 82.490 35.211 45.510 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 83.569 35.209 46.571 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 64.211 36.051 33.468 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 64.320 36.829 32.921 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 63.291 36.072 33.734 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 57.239 52.668 57.486 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 56.571 52.005 57.314 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 56.776 53.358 57.961 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 37.663 61.465 -14.362 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 37.672 61.609 -13.416 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 37.628 60.514 -14.460 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 43.457 43.202 28.454 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 44.244 42.767 28.125 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 43.178 43.769 27.735 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 80.125 15.386 65.787 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 80.868 15.279 66.381 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 80.499 15.794 65.006 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 82.271 60.777 33.631 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 81.836 61.510 34.068 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 81.802 60.680 32.802 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 67.099 78.967 8.229 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 67.287 78.056 8.005 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 66.270 78.931 8.706 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 69.118 43.858 24.905 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 68.669 44.579 24.465 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 69.320 43.237 24.205 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 77.050 46.172 23.806 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 76.817 47.013 23.411 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 76.956 45.539 23.094 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 40.740 14.122 65.464 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 40.093 14.823 65.381 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 41.293 14.212 64.688 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 72.991 83.568 33.472 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 73.927 83.423 33.615 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 72.701 82.798 32.983 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 58.318 28.365 33.251 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 57.810 28.715 32.519 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 58.637 27.518 32.939 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 62.012 24.700 14.217 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 61.264 24.105 14.264 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 61.640 25.530 13.917 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 67.241 96.505 65.541 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 67.022 97.283 66.055 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 66.433 96.289 65.076 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 70.824 43.557 42.867 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 69.895 43.696 42.679 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 71.167 44.434 43.039 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 33.117 88.338 -2.102 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 32.565 87.860 -2.720 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 32.724 88.167 -1.247 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 28.697 21.078 37.582 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 28.114 21.055 38.341 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 28.838 22.010 37.417 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 81.307 38.714 -15.100 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 80.502 39.034 -14.691 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 82.010 39.126 -14.598 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 46.621 45.503 12.550 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 47.130 44.724 12.775 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 46.713 46.076 13.311 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 28.309 73.457 9.744 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 28.525 74.142 10.377 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 28.030 72.715 10.280 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 59.664 6.818 26.006 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 59.557 6.091 26.619 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 59.833 7.578 26.563 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 21.339 71.862 27.459 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 21.192 71.133 26.855 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 22.241 72.135 27.290 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 32.725 76.224 22.660 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 31.846 76.058 23.000 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 32.888 75.502 22.054 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 85.981 63.199 44.489 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 85.528 62.519 43.990 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 86.867 62.857 44.609 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 47.422 0.371 58.404 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 47.503 -0.490 58.815 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 48.271 0.787 58.552 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 77.187 42.664 56.944 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 77.307 42.015 56.251 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 77.937 43.252 56.855 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 25.629 86.769 32.132 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 25.082 86.354 32.798 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 26.490 86.366 32.243 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 84.294 43.413 41.339 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 84.692 43.537 42.201 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 83.405 43.755 41.435 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 47.168 36.703 -15.388 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 46.967 35.772 -15.297 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 47.849 36.737 -16.059 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 69.027 15.562 -7.496 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 69.582 16.126 -6.958 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 69.122 15.908 -8.384 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 63.559 67.806 -3.858 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 62.961 67.898 -3.117 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 63.241 67.034 -4.327 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 73.901 81.122 31.998 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 73.368 80.330 31.930 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 74.533 80.927 32.690 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 69.047 44.406 21.698 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 68.249 44.574 22.199 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 68.943 44.926 20.901 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 68.210 25.158 5.165 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 67.874 25.669 4.428 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 67.891 25.618 5.941 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 33.898 24.379 59.313 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 33.111 24.447 59.853 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 33.613 24.643 58.438 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 34.242 39.434 52.690 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 34.319 38.716 52.062 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 35.144 39.705 52.857 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 33.480 3.207 51.172 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 33.213 3.985 50.682 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 32.750 2.596 51.068 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 21.858 29.257 36.783 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 21.036 29.160 36.301 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 22.498 29.506 36.117 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 83.059 29.607 42.365 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 82.279 30.136 42.532 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 82.914 29.233 41.496 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 51.449 90.648 37.239 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 50.806 90.039 36.876 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 51.863 90.163 37.953 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 33.049 21.849 43.675 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 32.332 22.234 43.172 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 33.478 22.596 44.092 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 47.133 89.380 26.660 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 47.440 88.832 25.937 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 47.918 89.556 27.178 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 50.990 13.918 -8.547 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 51.372 14.411 -7.820 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 50.442 13.256 -8.126 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 27.815 63.765 58.641 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 28.136 63.402 59.466 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 28.527 64.325 58.331 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 84.846 32.651 -0.461 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 84.606 32.176 0.335 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 85.670 33.085 -0.243 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 69.365 33.332 5.342 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 68.785 33.021 6.038 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 69.714 32.533 4.947 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 42.068 73.432 17.488 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 42.247 72.522 17.248 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 42.683 73.618 18.197 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 57.980 40.439 49.075 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 57.137 40.019 49.241 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 57.862 40.893 48.240 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 65.371 45.107 -11.914 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 64.563 44.652 -12.152 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 65.405 45.859 -12.505 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 78.301 24.390 66.904 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 78.408 25.139 67.490 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 77.665 23.828 67.347 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 35.026 31.236 61.340 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 34.264 31.762 61.098 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 34.777 30.818 62.164 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 26.917 95.563 15.041 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 27.543 95.758 14.344 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 26.408 96.368 15.139 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 85.667 13.705 66.205 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 86.307 13.726 65.494 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 86.195 13.677 67.003 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 28.104 24.952 9.062 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 28.715 24.792 9.782 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 27.301 25.248 9.490 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 90.275 42.657 7.566 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 90.409 43.254 6.831 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 89.382 42.834 7.860 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 70.802 33.601 34.846 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 70.448 33.053 34.146 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 71.448 34.158 34.411 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 21.761 74.799 41.409 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 22.680 74.543 41.327 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 21.315 74.315 40.715 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 82.019 31.995 64.698 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 82.090 32.864 64.304 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 81.096 31.914 64.937 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 66.682 41.573 31.557 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 66.045 40.975 31.165 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 66.255 42.430 31.529 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 62.655 5.849 -13.805 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 63.272 5.498 -13.163 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 62.142 6.493 -13.318 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 52.778 42.293 -3.680 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 52.781 43.144 -3.243 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 52.850 41.657 -2.968 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 75.346 64.735 18.353 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 74.416 64.606 18.540 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 75.506 64.218 17.564 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 80.680 90.374 -10.837 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 81.276 91.024 -11.210 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 80.251 90.830 -10.113 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 86.153 57.534 51.892 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 86.489 57.622 52.784 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 86.895 57.197 51.388 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 34.670 77.198 60.103 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 34.129 76.463 59.814 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 34.074 77.947 60.108 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 63.974 10.636 34.723 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 64.413 10.653 33.873 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 63.041 10.674 34.512 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 37.577 26.319 42.138 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 38.236 25.817 42.618 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 37.892 27.222 42.170 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 38.652 84.063 37.197 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 38.884 83.288 36.686 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 39.296 84.085 37.906 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 78.741 41.449 -9.626 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 78.998 41.504 -8.706 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 79.457 41.871 -10.101 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 83.386 19.910 37.866 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 82.846 20.442 37.282 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 83.035 20.081 38.740 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 88.635 12.233 7.116 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 89.048 11.398 7.336 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 88.347 12.588 7.957 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 60.856 64.790 37.407 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 60.712 63.914 37.049 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 60.122 65.307 37.075 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 37.044 16.545 10.939 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 37.047 15.774 11.506 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 37.407 16.234 10.109 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 32.070 87.495 56.088 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 31.662 87.412 56.950 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 31.384 87.237 55.472 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 73.375 47.234 -14.573 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 74.041 47.127 -13.894 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 73.483 46.469 -15.138 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 47.610 32.130 60.438 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 46.808 31.608 60.471 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 47.685 32.509 61.314 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 61.650 81.572 -3.601 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 61.956 82.444 -3.351 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 61.203 81.242 -2.822 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 69.893 74.490 44.824 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 69.910 73.539 44.722 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 69.882 74.827 43.928 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 66.132 44.121 40.237 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 65.417 43.732 39.732 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 65.766 44.935 40.582 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 74.836 21.625 10.150 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 75.019 20.798 10.597 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 73.898 21.594 9.963 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 82.875 28.051 40.011 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 82.175 27.398 40.001 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 82.912 28.377 39.112 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 29.950 25.421 22.712 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 29.470 25.567 23.527 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 29.355 25.723 22.025 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 59.370 32.499 12.600 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 59.162 32.045 13.417 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 58.557 32.945 12.359 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 62.330 57.296 -7.082 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 61.978 56.718 -6.404 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 63.279 57.242 -6.975 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 23.457 35.538 -14.333 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 22.943 35.221 -15.076 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 23.135 35.033 -13.586 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 46.006 10.649 42.273 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 45.301 10.985 41.720 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 46.529 11.421 42.491 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 58.449 45.159 66.708 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 58.206 45.377 65.808 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 58.627 46.004 67.120 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 60.229 14.064 30.871 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 60.180 13.268 30.341 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 60.327 13.749 31.769 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 71.077 23.989 18.133 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 70.417 23.347 17.872 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 70.958 24.717 17.523 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 64.299 30.964 63.983 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 64.171 30.271 64.631 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 64.864 31.601 64.421 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 65.364 15.253 -7.459 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 64.459 14.978 -7.601 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 65.304 15.948 -6.803 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 36.359 47.226 -16.750 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 35.516 47.109 -16.311 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 36.844 46.425 -16.555 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 29.183 29.462 16.251 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 29.223 30.223 15.671 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 29.599 29.756 17.061 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 64.440 75.551 66.064 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 63.765 76.025 65.577 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 65.242 75.693 65.561 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 35.395 6.128 -6.456 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 35.591 5.191 -6.462 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 35.866 6.477 -7.213 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 73.124 48.169 3.690 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 73.381 48.751 4.405 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 72.745 47.406 4.127 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 33.246 59.647 63.853 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 33.005 59.564 62.930 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 32.953 58.828 64.252 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 78.692 26.842 -5.266 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 79.499 26.653 -5.745 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 78.071 27.120 -5.939 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 76.348 61.232 63.817 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 75.941 60.569 64.375 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 75.807 61.244 63.027 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 26.933 16.619 12.540 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 27.242 16.334 11.680 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 26.555 17.485 12.383 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 47.284 20.984 -9.580 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 46.616 20.929 -10.263 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 47.170 20.183 -9.069 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 88.429 59.502 54.632 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 87.513 59.775 54.585 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 88.443 58.638 54.219 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 68.122 29.702 37.378 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 68.631 30.499 37.234 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 68.769 29.047 37.641 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 44.249 91.005 42.595 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 44.866 90.274 42.546 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 43.500 90.722 42.071 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 86.984 64.238 66.361 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 86.775 63.376 66.721 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 86.194 64.758 66.509 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 32.890 29.455 11.575 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 32.772 28.566 11.908 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 32.040 29.875 11.704 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 60.304 50.912 -10.326 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 61.068 50.438 -9.996 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 59.994 51.419 -9.576 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 35.541 95.844 44.301 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 35.461 95.298 45.083 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 35.313 95.261 43.577 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 76.016 39.614 52.014 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 76.179 39.029 51.274 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 76.160 40.492 51.662 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 33.861 8.344 -16.404 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 34.113 9.093 -16.946 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 33.801 8.699 -15.517 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 80.580 72.869 42.630 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 81.490 72.916 42.925 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 80.638 72.869 41.674 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 88.610 38.828 20.632 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 87.719 39.179 20.628 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 88.498 37.887 20.498 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 20.886 46.636 -1.746 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 21.345 47.314 -1.250 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 19.991 46.964 -1.830 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 55.281 38.755 43.225 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 54.361 38.919 43.015 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 55.769 39.258 42.573 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 20.651 8.144 -7.386 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 19.935 7.572 -7.111 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 20.736 8.781 -6.677 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 52.394 96.846 5.684 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 52.778 97.021 6.543 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 51.940 96.010 5.789 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 85.876 70.759 -8.182 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 85.031 71.204 -8.110 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 86.350 71.015 -7.391 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 72.224 5.501 -2.417 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 73.032 5.814 -2.823 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 71.606 5.421 -3.143 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 72.337 63.365 12.716 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 72.908 62.621 12.909 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 71.468 62.979 12.611 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 67.091 31.956 24.030 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 66.685 31.119 24.257 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 67.984 31.727 23.771 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 38.751 62.306 6.668 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 38.682 61.651 7.363 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 39.666 62.265 6.389 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 23.299 38.302 0.401 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 23.951 37.642 0.636 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 23.655 39.123 0.742 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 75.116 88.366 1.321 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 75.240 87.554 1.813 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 74.227 88.646 1.539 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 43.744 82.859 54.363 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 44.627 83.189 54.198 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 43.310 82.896 53.510 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 62.410 45.134 -10.822 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 62.038 45.403 -9.982 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 62.367 44.178 -10.809 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 76.377 92.728 -1.083 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 76.264 92.810 -0.136 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 75.572 93.089 -1.453 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 37.085 59.619 28.821 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 36.815 60.537 28.847 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 37.913 59.599 29.300 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 75.198 57.148 7.191 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 75.303 58.096 7.279 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 74.397 56.949 7.675 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 56.618 50.109 38.231 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 55.953 50.771 38.041 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 57.271 50.219 37.540 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 59.476 51.951 23.175 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 59.329 52.773 23.641 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 58.681 51.441 23.330 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 90.666 48.347 66.456 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 90.920 49.047 65.855 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 89.723 48.247 66.323 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 83.133 51.596 -19.402 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 82.246 51.903 -19.211 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 83.486 52.246 -20.010 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 85.565 43.022 15.027 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 85.774 43.384 15.888 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 86.054 42.200 14.988 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 77.795 55.068 8.933 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 76.844 55.008 9.026 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 78.140 54.582 9.682 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 56.643 13.117 5.738 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 56.326 12.463 5.114 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 55.972 13.142 6.420 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 69.426 53.932 4.223 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 68.770 53.462 4.737 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 69.589 54.735 4.718 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 77.891 50.128 -9.899 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 77.475 50.888 -9.494 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 78.385 49.718 -9.189 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 39.349 41.254 34.620 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 40.298 41.359 34.566 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 39.018 41.630 33.805 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 78.952 58.341 47.902 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 79.618 57.727 48.211 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 78.507 58.633 48.697 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 83.102 30.950 57.209 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 83.239 30.959 56.262 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 82.587 31.737 57.385 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 61.936 13.309 -10.805 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 62.506 13.967 -11.203 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 61.068 13.714 -10.804 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 42.535 62.472 12.567 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 42.555 62.720 13.491 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 43.433 62.603 12.263 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 62.282 20.281 16.118 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 62.642 20.299 15.232 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 61.527 20.869 16.082 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 36.054 62.425 28.585 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 36.680 62.285 27.874 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 36.571 62.825 29.284 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 56.773 48.970 -13.496 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 56.891 48.098 -13.874 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 57.662 49.280 -13.325 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 23.065 29.666 -1.230 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 23.526 29.976 -2.009 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 22.793 28.775 -1.451 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 67.414 29.995 27.878 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 66.632 29.524 28.166 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 67.562 29.689 26.983 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 83.256 39.006 30.649 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 82.520 38.619 31.125 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 83.147 38.700 29.749 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 78.530 25.044 -10.511 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 78.521 24.524 -11.314 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 77.615 25.291 -10.374 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 82.748 88.952 7.350 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 82.959 89.432 6.549 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 83.413 89.233 7.979 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 64.146 8.108 5.836 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 64.397 8.686 6.556 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 64.021 7.253 6.246 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 43.023 88.955 20.555 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 43.516 88.199 20.873 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 42.278 89.024 21.153 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 44.873 27.525 1.496 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 45.216 26.639 1.384 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 45.647 28.063 1.663 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 63.208 52.354 32.053 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 62.652 51.752 32.549 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 62.665 52.626 31.312 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 23.367 62.682 37.406 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 23.369 63.553 37.009 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 23.656 62.098 36.705 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 63.797 43.487 -8.057 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 64.268 44.286 -8.296 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 63.122 43.396 -8.729 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 40.139 64.803 -14.853 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 40.642 65.575 -15.111 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 39.283 64.927 -15.262 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 54.413 29.297 36.121 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 54.378 29.957 35.428 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 53.608 29.432 36.621 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 66.697 37.062 58.917 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 67.152 37.827 59.269 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 65.829 37.094 59.319 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 81.042 0.669 -10.236 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 81.660 0.259 -9.632 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 80.186 0.544 -9.825 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 63.110 0.335 15.009 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 62.490 0.409 15.735 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 63.375 -0.584 15.012 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 86.666 34.561 -12.587 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 87.466 34.865 -13.017 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 85.975 35.118 -12.944 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 22.589 46.366 7.435 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 22.856 47.102 6.885 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 21.663 46.527 7.619 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 28.397 26.059 -10.948 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 29.120 25.444 -10.826 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 28.128 26.291 -10.059 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 27.866 81.564 38.094 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 27.042 81.098 38.237 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 27.601 82.438 37.809 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 49.554 43.404 28.773 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 49.623 44.177 28.213 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 49.872 42.684 28.229 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 87.928 46.808 21.614 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 87.701 47.698 21.344 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 87.566 46.249 20.927 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 80.886 24.322 49.572 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 81.831 24.440 49.482 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 80.508 25.117 49.196 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 55.499 48.331 39.931 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 55.164 48.146 39.054 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 56.097 49.068 39.809 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 86.246 10.727 63.581 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 86.484 11.654 63.617 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 87.018 10.296 63.213 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 25.655 77.601 24.847 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 25.033 78.328 24.847 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 25.440 77.101 24.060 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 57.508 17.436 54.903 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 56.714 17.534 54.377 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 57.637 18.296 55.304 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 40.659 84.163 53.235 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 41.459 83.813 52.844 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 40.444 84.927 52.699 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 39.892 53.634 63.927 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 39.509 52.933 64.456 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 39.747 53.359 63.022 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 43.364 49.587 56.587 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 42.676 50.246 56.494 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 43.571 49.586 57.522 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 54.720 5.566 -6.860 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 55.277 5.889 -7.568 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 54.103 6.280 -6.696 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 38.998 4.709 41.124 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 38.109 4.488 41.402 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 38.879 5.263 40.353 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 40.804 56.933 51.918 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 40.680 56.131 51.412 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 41.446 57.436 51.417 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 24.526 60.845 -6.369 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 24.934 60.630 -5.530 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 23.598 60.954 -6.163 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 35.322 18.273 -11.650 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 35.658 17.389 -11.795 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 34.453 18.141 -11.271 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 22.737 44.643 30.178 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 22.790 44.252 31.050 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 23.594 45.048 30.044 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 22.589 46.987 44.282 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 22.398 47.851 44.646 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 22.046 46.933 43.495 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 74.147 85.149 49.986 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 73.438 84.583 49.683 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 74.492 85.551 49.188 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 84.830 72.897 19.000 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 84.768 72.024 18.611 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 83.932 73.107 19.258 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 40.479 49.669 65.857 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 40.673 49.601 66.792 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 40.314 48.768 65.580 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 90.469 27.461 -7.491 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 89.940 27.162 -6.752 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 90.104 28.317 -7.716 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 45.618 34.886 46.752 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 45.877 34.963 45.834 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 46.154 34.170 47.094 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 33.654 32.852 45.532 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 34.216 32.087 45.654 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 33.714 33.047 44.596 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 80.929 64.675 34.279 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 80.410 64.375 33.532 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 81.427 65.419 33.942 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 67.201 69.804 2.992 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 66.656 69.618 2.227 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 66.793 70.569 3.398 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 53.330 72.684 -13.732 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 52.664 72.824 -13.059 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 53.746 71.856 -13.490 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 28.421 66.843 54.714 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 28.858 66.263 54.089 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 28.675 67.724 54.440 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 30.148 77.863 -15.451 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 29.649 78.659 -15.635 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 29.497 77.162 -15.471 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 66.105 63.081 14.176 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 65.581 63.768 13.765 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 65.690 62.264 13.899 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 81.087 47.697 14.630 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 80.183 47.407 14.509 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 81.129 47.980 15.543 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 70.204 77.854 3.194 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 70.619 77.856 4.056 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 70.013 76.932 3.021 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 24.579 39.577 63.618 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 23.867 39.843 64.200 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 24.422 40.066 62.810 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 31.889 51.133 64.770 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 31.806 52.041 65.060 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 31.042 50.737 64.976 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 87.448 46.172 32.267 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 86.833 46.835 32.581 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 87.121 45.933 31.400 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 56.014 48.593 50.063 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 55.115 48.773 49.791 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 56.121 49.082 50.879 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 64.125 37.515 -4.253 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 64.967 37.971 -4.259 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 64.117 37.016 -5.070 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 63.524 46.554 9.776 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 63.095 47.226 9.247 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 62.911 46.382 10.490 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 70.848 41.948 64.021 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 70.528 42.574 64.670 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 71.755 42.211 63.861 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 41.385 19.516 32.344 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 41.096 20.324 31.919 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 40.666 18.900 32.201 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 39.216 75.976 12.502 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 39.843 75.417 12.962 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 38.681 76.359 13.198 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 51.873 16.102 52.508 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 52.816 15.947 52.446 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 51.480 15.398 51.992 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 88.648 40.453 44.458 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 87.946 41.080 44.630 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 88.972 40.212 45.327 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 50.973 72.379 -3.753 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 51.578 71.862 -3.220 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 50.103 72.085 -3.482 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 23.639 83.427 41.665 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 23.013 82.713 41.783 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 24.493 82.995 41.639 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 38.993 0.505 22.432 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 38.320 -0.146 22.231 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 38.620 1.023 23.146 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 59.236 36.823 -19.802 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 59.073 37.606 -19.275 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 58.598 36.876 -20.513 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 46.321 25.636 3.517 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 46.678 25.041 4.177 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 46.228 26.472 3.973 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 60.670 65.111 26.130 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 60.150 65.091 25.326 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 60.023 65.179 26.832 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 58.664 86.211 17.311 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 58.216 86.849 16.755 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 58.387 86.431 18.200 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 69.264 48.786 65.853 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 69.109 49.249 66.676 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 68.574 49.100 65.268 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 22.269 68.853 40.576 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 22.563 69.006 41.474 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 22.838 68.154 40.253 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 66.119 25.417 9.652 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 66.109 25.262 8.707 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 65.321 25.918 9.822 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 68.300 47.383 -18.713 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 68.848 48.152 -18.558 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 67.430 47.643 -18.410 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 75.807 91.458 11.605 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 76.150 91.946 10.856 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 76.423 91.643 12.314 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 52.026 41.444 21.126 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 52.322 42.316 20.867 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 51.308 41.246 20.524 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 21.443 66.492 29.788 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 20.857 66.678 29.054 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 22.256 66.947 29.568 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 43.857 30.476 38.069 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 43.151 30.791 38.632 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 44.629 30.465 38.635 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 74.538 58.234 22.982 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 74.471 59.155 22.730 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 73.900 58.133 23.689 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 75.623 61.632 43.568 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 76.427 61.556 44.083 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 74.931 61.337 44.160 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 81.119 58.127 65.554 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 81.607 57.948 66.358 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 81.536 57.575 64.893 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 35.615 71.283 -4.432 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 35.964 71.192 -5.318 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 36.340 71.647 -3.924 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 26.726 1.437 -17.397 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 27.248 1.168 -16.641 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 27.131 0.990 -18.140 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 44.899 30.781 2.675 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 44.242 31.254 3.186 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 45.687 31.319 2.741 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 89.964 37.524 55.877 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 89.251 37.655 55.252 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 90.527 36.868 55.465 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 68.870 22.160 -18.416 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 68.563 21.372 -18.864 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 69.286 21.836 -17.618 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 54.035 70.974 23.700 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 54.003 70.641 22.803 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 54.677 71.684 23.670 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 69.685 85.468 35.913 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 69.486 85.263 36.827 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 68.988 86.066 35.644 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 71.555 78.691 54.508 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 70.840 78.093 54.726 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 71.129 79.539 54.384 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 42.473 30.610 35.601 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 41.742 31.176 35.354 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 42.624 30.803 36.526 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 80.019 21.185 -7.279 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 79.953 21.222 -6.325 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 80.396 22.029 -7.527 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 31.000 9.010 32.124 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 31.810 9.298 31.702 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 31.041 9.386 33.003 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 39.971 12.127 -13.861 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 39.126 12.445 -13.544 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 39.806 11.870 -14.769 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 46.759 70.446 57.587 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 46.262 70.912 58.259 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 46.744 71.031 56.829 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 40.090 37.321 -4.604 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 40.391 38.156 -4.965 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 40.332 36.673 -5.266 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 27.418 14.547 30.938 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 28.071 13.911 31.231 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 26.656 14.018 30.703 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 81.150 79.360 5.497 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 80.870 79.218 6.401 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 81.774 78.655 5.325 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 61.912 71.362 0.593 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 62.361 70.946 1.330 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 60.982 71.216 0.765 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 72.741 54.355 61.312 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 72.269 54.557 62.120 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 72.687 55.160 60.795 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 26.491 0.587 35.488 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 26.175 -0.266 35.188 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 26.651 0.468 36.424 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 33.706 23.923 45.380 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 33.888 23.419 46.174 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 34.500 24.438 45.236 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 25.471 70.586 16.554 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 25.338 69.963 17.268 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 26.045 70.127 15.940 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 44.380 56.405 57.107 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 43.580 56.924 57.192 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 44.186 55.589 57.568 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 27.756 84.390 66.613 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 27.070 84.601 67.246 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 28.092 85.241 66.331 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 44.950 34.914 16.327 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 44.052 35.240 16.277 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 45.117 34.537 15.463 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 33.356 72.703 43.500 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 33.720 72.096 44.144 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 33.310 72.196 42.690 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 64.034 41.583 33.271 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 63.248 41.047 33.167 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 63.818 42.411 32.841 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 89.967 53.565 51.810 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 90.056 54.381 52.303 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 90.857 53.361 51.523 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 40.381 7.115 32.549 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 40.839 6.335 32.862 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 41.079 7.704 32.263 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 65.436 29.438 56.029 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 64.899 29.569 55.248 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 64.835 29.064 56.674 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 28.764 24.895 53.126 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 29.483 24.309 53.365 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 28.604 24.712 52.200 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 80.714 75.162 8.487 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 81.196 75.053 9.307 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 80.193 74.362 8.407 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 87.832 31.416 8.960 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 88.552 30.792 9.048 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 87.665 31.719 9.852 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 41.744 65.983 59.596 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 42.686 66.067 59.446 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 41.526 66.715 60.172 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 75.715 60.141 15.757 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 75.093 59.765 15.135 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 75.850 59.452 16.408 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 20.031 4.663 0.079 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 20.897 4.307 0.281 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 19.781 5.147 0.866 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 81.478 95.198 -3.629 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 81.162 95.039 -2.740 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 81.513 96.152 -3.705 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 37.653 74.394 10.455 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 38.310 73.901 9.965 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 38.123 74.725 11.221 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 41.388 30.605 31.038 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 42.232 30.740 31.471 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 41.097 31.486 30.801 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 29.816 46.334 53.879 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 29.786 45.927 53.013 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 30.725 46.230 54.161 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 86.734 27.914 34.512 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 87.334 27.738 33.787 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 86.198 28.646 34.207 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 51.263 42.584 66.467 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 51.000 41.717 66.775 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 50.905 43.188 67.118 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 64.801 11.577 -9.267 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 64.450 12.105 -9.984 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 65.578 11.157 -9.635 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 54.765 5.537 11.730 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 54.268 6.095 11.132 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 54.585 4.646 11.433 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 30.121 84.658 -18.501 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 29.876 83.875 -18.995 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 29.297 85.129 -18.374 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 84.617 35.475 -16.520 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 84.312 36.357 -16.735 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 84.502 35.406 -15.572 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 68.185 87.406 34.926 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 67.879 87.281 34.028 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 67.612 88.085 35.283 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 37.877 4.451 57.944 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 38.276 3.582 57.905 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 38.597 5.035 58.183 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 59.956 71.621 27.381 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 59.619 71.800 26.503 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 59.401 70.914 27.711 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 70.145 36.425 46.253 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 71.095 36.490 46.160 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 69.810 36.517 45.361 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 82.646 79.775 48.229 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 83.579 79.575 48.310 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 82.618 80.581 47.713 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 24.494 91.004 3.005 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 24.278 90.150 3.379 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 25.312 91.254 3.434 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 80.155 31.665 22.772 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 79.469 31.871 22.136 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 80.054 32.326 23.457 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 69.297 37.647 5.116 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 69.907 37.763 5.844 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 69.236 38.513 4.713 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 51.911 34.468 0.786 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 51.479 33.622 0.899 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 52.666 34.432 1.372 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 85.848 86.604 -8.695 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 86.185 86.239 -7.877 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 86.352 87.407 -8.826 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 68.098 52.211 7.110 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 68.449 51.821 7.911 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 67.751 53.058 7.388 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 69.801 16.993 6.825 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 69.514 17.745 6.307 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 70.756 17.051 6.824 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 34.294 88.731 32.687 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 33.344 88.635 32.627 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 34.459 88.916 33.612 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 35.971 79.496 51.373 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 36.634 79.717 50.718 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 35.511 78.743 51.003 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 51.531 80.012 40.565 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 50.767 79.749 41.078 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 51.182 80.611 39.905 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 80.591 22.839 -10.103 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 80.276 23.244 -10.911 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 80.266 23.410 -9.406 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 80.574 72.683 -8.512 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 80.536 73.140 -7.672 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 79.905 72.002 -8.446 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 83.141 84.727 -18.084 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 83.951 84.230 -17.972 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 82.709 84.679 -17.231 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 61.383 19.254 18.697 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 61.680 19.970 18.135 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 60.510 19.521 18.984 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 42.294 14.476 -8.739 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 42.004 15.109 -8.082 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 43.149 14.800 -9.022 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 72.617 55.037 2.358 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 72.811 55.760 2.954 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 73.436 54.891 1.884 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 23.664 15.740 -15.892 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 24.153 15.960 -15.099 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 24.229 16.027 -16.609 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 84.645 60.931 -15.051 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 84.468 60.002 -14.905 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 84.376 61.087 -15.957 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 44.842 88.637 8.575 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 45.150 88.708 9.478 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 44.767 87.695 8.420 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 83.018 5.845 45.050 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 82.313 5.446 45.560 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 83.757 5.246 45.153 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 72.481 81.633 22.454 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 71.707 81.098 22.278 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 73.009 81.559 21.659 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 25.231 3.587 44.049 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 25.382 4.069 44.862 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 25.373 2.670 44.284 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 23.135 82.580 26.788 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 22.492 81.975 26.418 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 23.830 82.015 27.126 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 25.120 83.419 -14.260 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 26.061 83.413 -14.082 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 24.721 83.097 -13.451 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 53.077 25.394 3.641 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 52.572 24.801 4.197 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 53.804 24.861 3.318 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 28.140 89.511 37.692 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 28.646 88.787 38.061 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 27.385 89.091 37.281 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 51.678 67.736 63.309 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 51.360 68.306 64.009 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 51.784 66.881 63.726 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 47.169 14.448 40.291 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 47.385 15.052 39.581 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 47.640 14.792 41.050 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 72.592 8.218 12.167 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 73.340 7.890 11.668 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 72.786 7.982 13.074 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 70.223 28.491 50.243 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 70.867 29.040 50.691 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 69.531 28.356 50.890 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 29.993 62.721 19.453 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 29.854 62.412 18.558 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 30.847 63.154 19.427 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 66.852 89.477 6.624 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 65.943 89.588 6.345 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 67.364 89.945 5.964 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 85.266 85.982 47.806 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 84.678 86.278 47.110 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 84.687 85.588 48.458 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 45.508 54.172 40.734 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 46.339 53.767 40.487 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 45.586 55.080 40.441 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 55.908 87.441 34.938 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 56.691 87.553 35.477 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 56.224 87.018 34.140 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 56.201 12.678 14.833 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 56.467 12.304 15.673 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 56.419 13.607 14.904 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 21.414 51.124 54.994 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 21.658 50.212 55.152 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 21.563 51.253 54.057 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 40.968 89.893 61.144 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 40.744 89.108 60.644 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 41.923 89.880 61.197 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 58.812 32.641 -9.952 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 59.215 33.503 -9.844 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 57.967 32.821 -10.364 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 79.405 49.765 38.901 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 78.986 50.226 38.174 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 78.721 49.195 39.251 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 30.435 23.258 36.569 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 30.884 23.900 36.019 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 30.233 22.533 35.977 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 78.891 15.724 -1.033 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 78.699 14.786 -1.047 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 79.762 15.785 -0.641 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 35.378 83.583 3.397 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 35.273 83.464 2.454 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 35.057 84.469 3.565 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 25.402 31.324 -6.080 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 25.555 30.381 -6.141 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 24.526 31.449 -6.444 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 29.342 7.644 17.574 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 30.138 7.536 17.054 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 29.392 6.955 18.236 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 26.242 71.373 -0.985 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 27.080 71.157 -0.575 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 25.590 71.194 -0.307 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 87.458 8.555 56.243 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 86.548 8.848 56.211 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 87.608 8.141 55.394 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 25.505 3.320 60.961 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 25.122 4.006 61.508 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 26.173 2.916 61.516 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 67.563 73.304 16.124 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 67.090 73.813 16.782 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 67.052 72.501 16.028 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 55.983 15.417 -1.818 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 55.910 16.207 -1.283 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 56.165 14.718 -1.190 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 55.177 77.980 57.916 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 54.275 77.777 58.166 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 55.694 77.769 58.694 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 77.714 27.003 24.044 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 78.305 26.884 24.788 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 78.291 27.034 23.281 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 21.952 2.351 10.384 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 22.444 2.020 11.136 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 21.120 2.647 10.753 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 82.164 89.809 15.370 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 81.422 89.631 15.949 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 82.594 88.960 15.264 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 81.586 14.508 -19.520 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 81.779 13.748 -20.068 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 81.998 14.310 -18.679 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 60.650 39.518 38.092 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 60.412 39.853 38.957 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 61.268 40.162 37.747 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 73.577 93.377 43.899 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 72.827 93.612 44.444 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 73.972 94.216 43.660 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 56.401 66.924 48.191 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 56.822 66.947 47.332 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 55.560 67.361 48.058 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 59.768 30.697 39.719 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 59.601 30.876 38.793 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 58.933 30.368 40.054 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 50.903 70.679 -19.037 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 51.450 71.464 -19.041 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 50.566 70.626 -18.143 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 27.871 49.711 20.785 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 28.539 49.368 20.191 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 28.338 49.870 21.605 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 69.162 42.408 -16.511 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 68.424 42.023 -16.985 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 69.172 43.325 -16.787 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 68.259 47.382 10.592 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 67.447 47.888 10.582 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 68.835 47.863 11.187 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 80.301 19.684 -3.400 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 80.411 19.502 -2.467 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 80.950 20.362 -3.590 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 50.659 37.536 1.113 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 50.457 36.808 1.701 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 50.261 38.300 1.530 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 67.684 74.927 -5.907 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 67.590 74.114 -5.412 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 67.261 74.747 -6.747 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 37.343 1.203 8.501 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 36.461 0.832 8.522 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 37.342 1.863 9.194 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 40.827 26.160 24.362 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 39.949 26.022 24.717 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 40.995 27.093 24.492 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 44.950 8.476 19.617 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 45.234 8.210 18.743 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 43.995 8.508 19.560 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 57.365 23.147 66.907 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 57.141 22.225 66.780 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 57.336 23.273 67.855 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 40.007 11.248 7.649 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 39.246 11.272 7.069 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 39.641 11.079 8.517 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 25.445 6.146 31.827 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 25.649 6.285 32.752 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 26.195 5.658 31.487 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 59.309 39.084 53.222 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 59.441 39.113 52.274 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 58.359 39.055 53.331 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 63.320 26.256 52.388 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 62.586 26.446 52.972 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 63.099 25.414 51.990 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 75.797 31.634 54.479 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 76.259 30.811 54.640 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 75.367 31.834 55.310 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 76.618 82.339 -19.449 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 76.242 83.136 -19.074 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 77.176 81.987 -18.756 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 67.265 50.245 22.324 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 67.368 50.692 21.484 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 66.432 49.779 22.247 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 37.950 18.411 20.020 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 38.820 18.372 19.623 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 37.750 17.504 20.251 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 89.372 40.163 16.007 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 89.268 39.278 15.657 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 89.841 40.040 16.833 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 57.620 10.621 16.394 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 57.958 9.755 16.166 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 58.214 10.939 17.074 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 26.499 43.516 -3.294 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 25.556 43.684 -3.290 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 26.889 44.345 -3.570 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 86.064 82.234 -4.034 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 85.976 81.324 -3.750 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 87.005 82.403 -4.008 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 31.747 89.385 62.801 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 32.298 88.604 62.763 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 32.105 89.965 62.130 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 27.510 2.971 5.123 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 27.295 2.099 4.791 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 27.084 3.014 5.979 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 85.691 18.489 6.338 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 86.306 19.024 5.836 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 85.242 19.112 6.909 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 29.773 43.200 27.890 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 30.503 43.560 27.387 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 29.114 42.978 27.232 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 43.149 3.187 18.400 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 43.860 2.626 18.708 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 42.376 2.621 18.408 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 82.373 9.248 -5.028 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 83.236 8.942 -5.307 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 82.451 10.202 -5.012 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 33.722 78.684 55.352 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 34.621 78.551 55.651 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 33.641 79.633 55.249 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 62.538 83.815 5.447 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 62.580 83.243 4.681 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 61.786 83.494 5.945 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 44.554 62.725 42.885 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 44.803 63.634 42.713 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 45.116 62.456 43.612 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 51.093 95.516 -19.629 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 50.693 94.847 -20.184 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 51.618 95.022 -18.998 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 24.791 12.702 57.831 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 24.371 12.728 56.971 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 24.469 13.484 58.279 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 71.645 18.989 33.983 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 72.290 19.646 33.724 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 71.934 18.697 34.848 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 42.418 86.289 41.269 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 42.604 86.152 40.340 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 42.932 85.618 41.718 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 69.867 27.621 -7.257 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 69.934 26.933 -7.919 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 68.930 27.806 -7.197 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 84.571 91.535 55.025 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 84.010 92.243 55.343 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 84.212 90.745 55.428 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 42.234 7.341 65.410 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 42.782 6.750 64.893 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 42.725 8.162 65.435 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 26.017 30.447 61.813 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 26.195 30.647 62.732 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 25.746 31.282 61.433 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 64.079 23.257 32.753 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 64.720 23.728 33.286 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 64.447 22.379 32.657 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 20.917 46.187 -8.610 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 20.915 45.722 -7.773 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 21.117 45.512 -9.258 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 26.818 36.636 9.986 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 26.168 36.892 10.640 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 27.591 37.160 10.198 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 29.067 24.096 -5.239 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 29.748 24.379 -5.848 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 29.348 23.226 -4.953 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 77.010 34.897 30.847 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 76.205 34.868 31.364 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 76.729 34.701 29.954 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 32.782 29.663 32.409 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 32.431 30.511 32.137 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 33.732 29.767 32.356 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 39.582 41.786 0.410 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 39.292 41.178 1.090 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 39.063 41.550 -0.360 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 23.446 28.443 22.907 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 23.921 28.169 23.692 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 23.161 29.336 23.098 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 25.288 7.821 63.225 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 26.110 7.373 63.427 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 24.815 7.842 64.056 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 79.740 76.563 45.359 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 80.347 77.291 45.496 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 79.880 76.303 44.449 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 34.601 16.543 17.006 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 35.179 17.305 16.982 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 33.864 16.783 16.445 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 88.134 37.866 58.047 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 88.638 37.584 57.283 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 87.220 37.772 57.779 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 25.785 12.276 28.575 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 26.708 12.430 28.372 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 25.595 11.420 28.191 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 38.173 6.383 27.767 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 39.006 6.380 28.239 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 37.719 7.163 28.087 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 77.670 90.866 26.345 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 77.443 91.685 25.904 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 77.840 91.122 27.252 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 75.057 22.862 44.399 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 75.713 23.028 43.721 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 74.923 21.915 44.377 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 71.281 25.932 9.585 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 70.408 25.734 9.924 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 71.369 25.376 8.810 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 25.381 9.049 -7.261 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 24.479 8.867 -7.523 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 25.340 9.908 -6.840 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 73.037 38.557 33.164 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 72.469 39.327 33.118 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 73.924 38.908 33.077 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 34.431 59.023 44.442 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 34.033 58.845 45.295 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 34.987 58.262 44.274 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 33.621 25.074 3.359 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 34.440 25.426 3.706 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 32.943 25.647 3.716 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 62.258 10.867 -12.103 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 62.414 11.376 -12.898 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 61.972 11.513 -11.457 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 24.103 95.940 13.031 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 24.429 95.100 12.710 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 23.811 95.758 13.925 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 75.511 27.781 25.765 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 75.202 27.427 24.931 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 76.460 27.850 25.660 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 33.518 54.984 -5.371 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 32.706 54.800 -4.898 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 33.383 55.853 -5.751 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 57.103 12.371 19.060 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 57.058 13.216 18.612 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 56.394 12.402 19.702 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 42.875 93.553 -9.508 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 43.080 93.811 -10.407 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 43.351 92.733 -9.379 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 22.375 8.677 60.903 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 22.024 7.962 60.372 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 22.447 9.414 60.296 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 23.347 57.779 -2.776 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 23.313 57.004 -2.216 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 24.242 57.791 -3.116 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 56.115 69.547 -6.269 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 55.829 69.493 -5.357 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 56.072 70.480 -6.479 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 27.275 70.599 -3.398 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 26.859 70.640 -2.537 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 28.132 70.206 -3.233 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 55.560 46.607 60.057 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 55.642 47.542 59.873 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 56.175 46.448 60.773 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 32.884 19.419 45.871 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 33.026 18.733 46.524 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 32.563 18.953 45.099 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 39.265 27.198 13.366 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 39.426 27.013 14.291 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 40.119 27.458 13.020 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 24.793 96.453 23.533 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 25.555 96.005 23.902 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 25.061 97.370 23.469 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 88.632 86.633 -1.223 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 89.485 87.067 -1.231 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 88.753 85.876 -0.650 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 71.499 32.465 8.628 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 70.666 32.895 8.433 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 71.910 33.024 9.286 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 81.755 22.370 52.164 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 81.099 21.718 52.411 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 82.366 21.894 51.601 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 30.506 3.398 57.279 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 30.375 4.345 57.327 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 31.287 3.291 56.735 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 48.297 24.311 35.895 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 47.835 25.076 35.554 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 49.008 24.675 36.423 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 58.321 12.723 -3.385 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 59.099 12.167 -3.427 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 57.654 12.175 -2.972 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 22.415 70.964 38.937 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 22.623 70.315 39.608 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 22.953 70.714 38.186 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 62.687 77.599 17.633 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 63.451 77.100 17.923 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 62.485 77.245 16.767 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 56.699 23.849 -1.898 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 56.128 23.246 -2.374 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 56.435 24.718 -2.201 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 85.916 31.639 25.445 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 86.410 32.316 25.907 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 86.247 30.815 25.802 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 82.050 72.543 18.189 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 81.474 72.213 17.500 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 81.636 73.355 18.481 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 50.487 15.678 56.466 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 50.486 16.217 57.257 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 50.302 14.792 56.778 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 77.052 25.325 37.187 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 77.445 24.493 36.923 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 77.061 25.857 36.391 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 45.275 88.436 28.645 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 45.934 88.518 27.956 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 45.089 89.338 28.907 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 72.043 49.111 9.718 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 71.327 48.963 9.101 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 71.809 48.589 10.486 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 63.543 86.231 28.592 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 62.745 86.222 29.121 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 64.254 86.270 29.231 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 55.119 93.325 63.663 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 55.786 93.502 63.000 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 55.596 92.896 64.374 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 63.730 23.156 15.923 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 63.890 23.822 16.592 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 63.185 23.596 15.272 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 46.130 79.609 9.743 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 46.202 79.392 10.673 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 46.884 79.181 9.338 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 52.069 91.818 19.491 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 52.226 91.226 20.227 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 51.268 92.287 19.726 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 72.321 12.333 -8.936 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 72.271 13.181 -8.493 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 71.855 11.731 -8.355 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 60.050 6.468 52.283 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 59.758 5.559 52.217 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 61.004 6.410 52.345 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 28.015 77.958 -3.520 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 28.758 78.329 -3.995 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 27.579 78.714 -3.127 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 49.338 31.350 58.631 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 49.997 32.037 58.731 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 48.668 31.565 59.281 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 82.808 19.788 46.601 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 83.024 20.720 46.617 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 82.087 19.720 45.975 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 57.062 29.685 12.485 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 56.162 29.731 12.809 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 56.972 29.614 11.535 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 90.720 40.586 20.530 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 89.964 40.011 20.413 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 90.702 40.820 21.458 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 60.960 11.265 16.620 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 61.497 10.796 15.981 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 60.763 12.102 16.199 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 80.747 29.467 45.054 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 81.389 29.658 45.738 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 81.160 29.770 44.246 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 22.424 5.330 40.646 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 23.187 5.177 41.203 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 22.401 6.280 40.527 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 28.986 37.383 19.139 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 28.051 37.192 19.058 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 29.280 37.527 18.239 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 30.997 15.660 -1.375 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 31.806 15.213 -1.126 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 31.242 16.201 -2.125 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 62.101 85.412 65.648 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 62.590 86.226 65.533 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 62.773 84.746 65.791 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 22.723 46.682 60.123 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 22.405 45.910 59.654 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 23.289 46.329 60.809 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 61.420 29.893 0.452 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 61.751 29.063 0.109 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 60.790 29.641 1.127 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 40.244 53.909 -6.952 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 40.902 53.360 -6.526 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 39.871 54.432 -6.242 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 23.006 9.256 -12.329 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 23.599 8.508 -12.268 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 22.504 9.233 -11.515 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 21.600 21.112 31.983 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 22.436 21.315 32.405 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 21.673 21.495 31.109 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 66.001 73.502 -10.317 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 65.355 72.797 -10.341 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 66.501 73.397 -11.127 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 39.112 7.627 6.036 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 38.652 8.187 5.411 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 38.502 6.910 6.210 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 88.764 87.603 36.190 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 88.093 88.279 36.276 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 88.273 86.783 36.132 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 54.374 21.988 37.867 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 54.663 21.343 37.221 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 54.197 21.475 38.656 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 32.686 42.460 24.956 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 33.394 42.974 25.344 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 32.733 42.655 24.020 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 46.984 0.885 67.010 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 47.935 0.982 66.965 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 46.751 0.421 66.206 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 52.538 21.994 -5.570 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 51.909 22.540 -5.099 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 52.067 21.709 -6.354 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 33.520 93.264 9.430 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 33.253 92.643 10.107 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 33.361 92.803 8.606 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 48.070 27.146 -3.475 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 47.699 27.993 -3.228 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 47.420 26.762 -4.064 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 46.276 10.243 13.009 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 45.967 10.074 12.119 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 46.007 11.144 13.190 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 30.990 81.445 31.922 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 31.146 80.757 31.276 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 30.153 81.212 32.324 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 28.643 11.899 -5.040 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 28.935 11.301 -5.728 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 29.439 12.108 -4.551 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 28.330 19.361 60.482 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 28.609 18.447 60.533 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 27.867 19.517 61.304 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 73.936 72.545 7.484 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 74.384 71.701 7.433 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 73.119 72.413 7.004 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 58.160 16.573 65.889 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 58.290 17.027 66.721 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 57.824 17.247 65.298 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 21.593 18.653 2.917 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 21.037 17.981 3.311 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 22.287 18.798 3.561 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 38.179 62.384 44.587 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 38.222 61.513 44.193 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 38.093 62.979 43.842 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 42.106 25.232 13.777 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 41.635 24.757 13.092 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 43.017 24.957 13.677 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 48.104 48.066 -1.828 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 47.798 48.972 -1.825 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 48.892 48.077 -1.284 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 61.654 66.582 34.166 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 61.674 65.625 34.174 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 60.912 66.802 33.603 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 78.481 88.775 12.897 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 78.135 88.498 12.049 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 79.313 89.200 12.691 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 65.706 4.044 20.729 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 65.608 4.842 21.248 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 65.184 4.203 19.943 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 86.087 44.879 20.412 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 85.953 44.089 19.889 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 85.894 44.608 21.310 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 87.609 47.147 14.398 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 88.541 47.365 14.381 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 87.210 47.839 14.925 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 46.325 5.342 11.423 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 46.214 4.411 11.616 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 46.922 5.658 12.102 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 42.804 2.291 49.566 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 43.748 2.192 49.441 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 42.460 2.447 48.686 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 32.576 78.783 -14.592 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 31.664 78.653 -14.852 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 32.544 79.486 -13.943 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 28.817 18.597 -1.837 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 29.681 18.720 -1.445 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 28.361 19.423 -1.677 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 57.690 42.838 -12.801 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 57.019 42.636 -13.453 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 57.732 42.057 -12.250 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 61.275 57.223 41.414 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 61.384 56.715 40.610 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 60.363 57.515 41.391 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 37.298 36.379 -8.143 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 37.519 37.015 -8.824 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 38.136 36.167 -7.731 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 76.025 66.568 14.668 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 75.077 66.700 14.710 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 76.310 67.109 13.933 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 31.440 28.365 55.513 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 31.873 29.163 55.208 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 30.634 28.319 54.999 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 34.702 8.691 43.379 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 34.935 8.952 42.488 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 35.442 8.978 43.914 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 73.984 5.277 8.225 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 73.407 4.823 8.839 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 74.552 4.589 7.876 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 48.569 8.813 -0.377 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 48.608 7.997 -0.877 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 47.809 8.707 0.196 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 81.388 45.990 24.715 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 82.197 45.806 24.237 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 81.528 45.604 25.580 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 81.525 30.860 2.911 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 81.067 30.074 2.612 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 80.866 31.348 3.406 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 30.183 61.031 -18.566 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 29.946 61.879 -18.191 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 29.651 60.962 -19.359 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 85.467 91.528 14.814 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 84.807 90.850 14.962 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 85.033 92.344 15.064 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 69.102 15.722 -10.398 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 68.164 15.861 -10.269 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 69.157 14.911 -10.904 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 35.147 37.467 12.586 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 35.900 37.890 12.173 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 34.413 38.053 12.403 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 20.838 66.239 7.677 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 19.953 66.126 7.331 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 21.142 65.348 7.853 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 33.098 92.808 -8.537 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 33.110 93.452 -9.245 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 33.995 92.800 -8.204 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 76.241 88.933 -5.304 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 76.803 88.692 -6.041 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 75.422 89.217 -5.709 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 71.950 9.088 -5.198 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 71.734 9.372 -4.310 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 72.172 8.161 -5.107 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 49.984 4.324 34.812 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 49.846 5.256 34.984 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 50.806 4.118 35.256 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 57.267 55.989 36.415 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 56.698 56.040 37.184 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 56.923 56.652 35.817 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 87.224 48.884 39.779 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 86.634 48.268 39.345 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 86.825 49.742 39.633 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 70.302 18.552 48.716 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 69.586 19.106 48.405 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 70.950 18.580 48.013 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 86.365 54.436 15.709 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 87.244 54.220 15.399 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 86.493 55.186 16.289 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 66.752 47.563 15.581 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 66.072 48.071 16.024 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 66.336 46.723 15.388 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 89.585 62.482 50.112 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 88.740 62.633 49.688 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 89.596 63.093 50.849 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 38.078 15.822 30.202 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 37.581 15.764 29.387 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 38.009 14.949 30.589 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 84.880 12.751 58.114 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 84.722 13.437 58.763 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 84.100 12.760 57.560 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 88.293 33.522 3.773 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 88.410 34.304 4.311 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 87.351 33.351 3.800 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 52.225 2.821 5.041 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 52.179 1.916 5.349 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 52.525 2.751 4.135 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 56.359 43.132 58.895 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 55.762 43.666 58.370 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 56.563 43.677 59.655 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 70.161 26.765 37.476 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 70.221 25.934 37.006 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 71.010 27.184 37.334 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 65.460 81.933 51.290 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 64.806 82.617 51.433 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 65.780 82.088 50.402 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 57.530 25.407 6.656 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 57.702 25.974 7.408 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 57.388 26.012 5.928 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 28.613 29.549 37.302 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 29.281 30.166 37.601 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 27.802 30.058 37.299 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 84.981 14.029 46.258 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 84.819 13.318 45.638 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 85.814 13.802 46.670 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 87.913 54.111 0.255 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 87.875 53.672 1.105 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 88.662 53.711 -0.189 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 31.966 5.622 24.597 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 31.097 5.222 24.628 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 32.029 6.122 25.411 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 26.528 14.723 3.396 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 26.692 15.664 3.332 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 27.098 14.334 2.732 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 65.959 51.914 -2.876 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 65.149 51.451 -2.664 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 66.523 51.773 -2.116 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 83.177 67.452 31.722 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 83.761 68.202 31.610 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 83.167 67.026 30.865 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 90.319 46.358 8.138 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 90.607 46.909 8.866 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 89.533 45.921 8.465 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 63.414 1.448 4.585 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 62.964 0.612 4.460 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 64.263 1.210 4.959 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 28.006 13.675 1.363 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 28.601 14.425 1.388 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 27.587 13.729 0.504 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 34.713 64.415 27.093 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 35.429 64.889 26.671 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 35.140 63.682 27.538 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 80.770 25.928 62.180 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 79.838 25.807 61.999 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 80.938 25.381 62.947 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 79.521 0.058 6.043 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 80.326 -0.203 5.596 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 79.814 0.393 6.891 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 31.293 31.734 31.509 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 31.692 32.384 30.930 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 30.376 31.999 31.572 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 83.131 51.040 43.689 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 82.301 50.575 43.582 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 83.767 50.354 43.888 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 33.303 80.418 13.417 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 34.083 80.169 12.921 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 33.643 80.760 14.243 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 63.534 60.157 47.955 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 63.628 59.205 47.993 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 63.153 60.394 48.801 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 87.172 8.682 1.842 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 87.884 8.781 1.209 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 86.386 8.942 1.362 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 60.582 6.261 46.650 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 60.265 5.368 46.512 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 60.410 6.436 47.575 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 70.958 13.045 7.373 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 71.527 13.468 6.729 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 71.543 12.809 8.093 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 28.527 6.958 34.977 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 28.478 6.804 35.921 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 29.284 6.448 34.690 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 28.359 62.481 37.909 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 29.091 63.025 38.199 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 27.840 63.056 37.347 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 88.693 5.610 60.274 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 89.526 5.524 60.737 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 88.302 6.409 60.630 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 43.354 44.969 5.830 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 42.630 45.577 5.981 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 43.381 44.428 6.619 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 61.863 19.354 -19.984 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 62.794 19.423 -19.772 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 61.428 19.290 -19.134 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 62.583 26.792 30.757 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 61.907 27.457 30.884 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 62.773 26.819 29.819 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 53.368 71.547 60.196 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 53.254 70.749 60.712 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 52.906 71.371 59.376 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 90.019 22.413 48.626 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 89.131 22.069 48.732 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 90.517 21.682 48.261 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 39.518 6.217 56.980 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 38.825 5.708 56.559 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 39.294 7.129 56.792 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 37.354 19.282 -16.229 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 38.276 19.037 -16.307 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 37.354 20.030 -15.631 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 31.154 32.841 46.639 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 32.043 32.849 46.283 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 31.194 32.223 47.369 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 38.149 71.176 11.013 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 38.524 71.798 10.390 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 37.915 71.709 11.772 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 74.112 38.111 14.375 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 74.269 37.686 13.532 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 74.237 39.044 14.200 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 83.535 26.476 33.907 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 84.426 26.717 34.161 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 82.985 27.167 34.276 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 81.309 96.627 -19.772 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 81.226 95.972 -19.079 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 80.747 96.305 -20.477 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 81.667 35.042 37.176 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 82.213 34.278 36.992 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 81.711 35.145 38.127 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 42.272 20.859 43.201 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 43.011 20.346 42.872 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 42.676 21.600 43.652 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 66.754 43.647 57.943 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 67.522 44.218 57.920 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 67.041 42.841 57.514 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 82.398 34.908 18.687 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 81.851 35.601 19.056 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 82.132 34.856 17.769 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 45.818 90.712 4.219 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 45.229 90.424 4.917 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 46.349 89.941 4.021 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 25.901 49.923 58.584 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 25.880 50.421 59.401 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 24.981 49.742 58.389 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 84.724 39.206 -10.191 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 83.803 39.345 -10.415 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 84.741 39.203 -9.234 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 86.615 10.216 36.498 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 87.412 10.561 36.095 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 85.902 10.644 36.024 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 88.477 65.099 34.163 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 89.393 64.822 34.161 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 88.256 65.204 33.238 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 59.034 51.260 31.340 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 58.837 52.114 30.953 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 59.428 50.759 30.626 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 81.285 72.968 39.664 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 80.811 72.202 39.341 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 82.209 72.733 39.574 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 65.872 85.123 43.447 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 65.720 84.951 42.518 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 66.486 84.442 43.720 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 81.535 33.342 57.392 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 81.225 33.701 56.561 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 82.000 34.067 57.809 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 87.374 39.336 -1.542 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 86.459 39.617 -1.580 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 87.720 39.531 -2.413 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 35.986 55.621 -4.728 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 35.757 55.656 -3.799 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 35.152 55.476 -5.175 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 89.611 43.872 28.819 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 88.729 43.609 28.556 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 90.064 43.047 28.996 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 26.335 19.119 33.458 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 26.290 18.218 33.139 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 26.915 19.076 34.218 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 41.212 2.764 46.707 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 41.249 2.345 45.847 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 41.231 3.702 46.518 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 68.823 84.427 -11.783 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 68.343 84.753 -12.544 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 69.379 83.729 -12.130 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 51.371 14.518 45.988 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 52.139 14.184 46.452 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 51.213 13.878 45.294 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 53.460 1.166 -6.041 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 53.259 2.093 -5.911 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 52.619 0.722 -5.938 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 62.334 27.760 41.402 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 63.247 27.549 41.596 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 62.356 28.668 41.100 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 31.085 73.916 38.606 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 31.531 73.200 38.154 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 31.789 74.414 39.021 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 89.193 37.191 -7.685 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 89.399 36.415 -7.164 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 90.046 37.530 -7.958 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 21.666 90.722 63.634 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 22.394 90.357 63.131 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 21.261 89.964 64.055 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 89.596 43.740 -15.049 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 89.116 42.948 -15.291 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 90.404 43.695 -15.559 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 47.136 12.035 -4.125 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 46.988 12.965 -3.953 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 48.089 11.945 -4.151 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 65.613 47.448 -13.534 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 64.787 47.929 -13.484 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 66.266 48.114 -13.747 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 83.670 11.746 -8.757 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 82.847 11.474 -8.352 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 83.419 12.056 -9.627 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 82.602 46.888 -19.540 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 82.095 47.487 -20.090 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 82.122 46.061 -19.581 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 32.580 44.210 -17.908 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 32.563 43.407 -17.387 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 33.342 44.110 -18.479 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 23.690 38.351 50.150 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 24.325 37.814 50.624 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 24.152 38.623 49.356 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 34.599 85.009 -2.011 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 34.411 85.310 -2.900 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 35.469 84.614 -2.069 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 74.683 6.496 -6.988 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 73.853 6.966 -7.070 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 75.232 6.855 -7.685 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 41.805 56.660 -1.375 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 42.740 56.741 -1.559 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 41.652 57.260 -0.645 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 86.672 52.908 28.527 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 86.216 52.069 28.456 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 87.586 52.672 28.682 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 77.267 58.597 39.950 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 78.001 59.210 40.001 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 76.518 59.090 40.283 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 67.705 83.604 64.327 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 68.105 82.769 64.569 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 68.350 84.023 63.756 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 80.581 86.098 3.011 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 79.979 86.808 3.238 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 80.360 85.876 2.107 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 62.415 31.349 -5.314 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 62.440 31.147 -4.379 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 61.530 31.109 -5.588 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 89.116 35.478 65.114 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 88.293 35.270 65.555 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 88.856 36.002 64.356 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 65.420 90.658 20.303 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 65.413 89.721 20.105 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 64.955 90.731 21.136 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 69.677 73.240 -11.631 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 69.385 73.812 -10.921 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 68.886 73.072 -12.144 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 38.980 51.562 27.021 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 39.332 51.949 27.822 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 39.631 50.908 26.764 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 80.890 4.024 45.681 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 80.836 3.850 44.742 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 80.964 3.157 46.082 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 43.946 47.719 62.939 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 43.261 47.774 62.273 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 43.531 48.045 63.738 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 28.053 48.219 64.489 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 28.538 48.901 64.025 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 27.779 48.633 65.307 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 81.021 95.670 -15.027 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 81.849 95.319 -14.698 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 80.580 96.010 -14.248 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 28.912 58.999 57.620 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 29.639 58.796 58.208 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 28.528 58.148 57.409 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 24.854 49.692 15.151 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 25.532 50.352 15.004 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 24.330 49.703 14.351 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 79.888 75.884 42.713 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 80.293 75.105 43.093 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 79.671 75.628 41.816 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 85.998 73.537 2.391 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 86.228 72.611 2.303 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 86.831 73.975 2.565 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 61.912 48.905 62.617 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 61.772 48.431 61.797 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 61.688 49.812 62.411 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 27.419 56.558 35.814 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 27.561 57.271 35.191 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 27.050 55.849 35.287 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 71.132 49.021 63.747 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 71.118 49.905 63.379 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 70.610 49.086 64.546 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 22.083 28.736 19.761 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 22.775 28.150 19.456 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 22.279 29.576 19.344 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 49.276 55.894 22.777 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 49.624 55.010 22.661 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 50.027 56.469 22.630 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 53.487 37.832 12.932 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 53.278 38.749 13.109 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 52.785 37.339 13.356 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 56.716 34.954 43.824 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 56.526 35.541 44.556 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 56.148 35.260 43.117 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 55.142 33.912 7.625 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 54.987 34.581 8.291 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 54.592 33.175 7.892 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 28.024 26.872 13.851 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 27.334 26.685 14.488 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 27.984 27.821 13.727 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 70.411 30.409 12.307 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 70.870 30.177 11.500 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 69.513 30.589 12.029 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 50.547 44.070 61.534 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 49.892 44.617 61.098 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 51.301 44.647 61.652 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 37.787 72.019 31.166 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 38.524 71.955 31.773 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 37.998 71.400 30.467 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 85.134 52.142 -4.500 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 84.587 52.628 -3.883 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 84.734 51.273 -4.543 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 22.416 89.374 39.910 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 22.721 89.456 39.006 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 22.871 90.071 40.382 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 41.860 75.505 -4.220 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 42.077 74.573 -4.212 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 42.462 75.887 -4.859 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 81.891 69.357 44.397 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 82.146 69.855 45.174 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 81.661 70.024 43.750 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 49.817 62.524 9.848 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 50.722 62.224 9.760 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 49.795 62.975 10.692 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 54.391 71.539 6.251 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 54.219 70.677 6.629 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 53.876 72.143 6.786 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 86.889 63.186 24.312 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 86.684 62.251 24.348 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 86.253 63.547 23.694 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 42.812 52.553 29.525 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 43.440 52.973 30.113 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 43.169 52.698 28.649 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 75.895 8.275 57.841 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 75.391 7.888 58.556 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 75.545 7.865 57.051 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 26.584 86.052 23.144 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 27.469 86.399 23.255 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 26.501 85.904 22.202 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 35.834 29.559 57.444 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 35.758 28.961 58.187 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 36.455 29.130 56.854 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 23.082 67.149 16.822 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 22.616 66.650 17.494 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 23.661 67.731 17.314 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 28.567 49.501 12.687 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 29.022 48.670 12.546 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 29.138 50.158 12.290 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 71.172 50.168 13.840 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 70.434 49.912 13.288 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 71.923 49.708 13.465 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 62.598 70.387 48.998 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 62.937 69.496 48.914 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 62.818 70.807 48.166 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 88.040 87.755 -14.754 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 87.866 87.112 -14.067 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 87.757 87.325 -15.562 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 69.541 48.738 2.174 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 68.660 49.010 2.432 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 70.122 49.355 2.618 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 24.862 41.581 8.612 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 25.078 42.271 9.239 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 24.637 42.050 7.808 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 81.505 46.972 63.039 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 80.938 47.554 63.547 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 82.123 46.621 63.680 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 58.949 51.392 0.960 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 59.048 52.065 1.633 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 58.729 50.597 1.446 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 41.747 26.583 -12.606 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 41.009 26.885 -13.135 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 42.091 25.828 -13.084 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 22.014 45.139 -3.793 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 22.733 44.561 -3.537 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 21.688 45.498 -2.968 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 55.308 80.166 0.150 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 54.454 80.178 -0.283 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 55.234 79.473 0.806 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 22.681 33.816 41.240 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 22.766 33.595 40.313 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 23.563 33.701 41.595 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 74.680 37.632 6.079 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 73.878 37.760 5.572 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 74.548 36.799 6.532 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 84.097 82.260 37.808 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 83.807 81.582 38.419 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 83.331 82.432 37.260 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 57.131 54.742 -14.654 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 57.819 54.105 -14.462 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 56.471 54.594 -13.976 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 87.679 53.842 57.091 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 86.907 53.309 56.899 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 88.409 53.352 56.713 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 38.872 6.202 24.967 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 38.400 6.344 25.788 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 39.577 6.849 24.981 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 66.122 96.119 -17.431 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 67.063 95.947 -17.398 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 65.998 96.880 -16.863 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 67.096 68.177 20.790 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 66.850 68.267 19.869 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 66.690 67.355 21.067 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 35.392 72.104 54.303 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 35.109 72.849 53.773 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 35.545 71.403 53.669 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 80.457 76.757 -8.203 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 79.740 76.279 -7.788 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 80.704 77.424 -7.562 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 51.453 84.621 37.344 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 50.713 84.772 36.755 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 52.224 84.844 36.822 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 23.433 19.853 -7.966 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 23.854 19.184 -8.506 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 23.631 19.594 -7.066 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 84.397 39.659 4.682 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 84.970 40.415 4.559 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 84.474 39.449 5.613 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 38.667 34.903 55.023 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 38.218 34.088 54.795 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 39.402 34.951 54.412 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 49.717 29.744 32.012 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 49.745 29.106 31.298 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 49.709 30.594 31.573 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 44.606 19.600 53.526 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 44.322 20.048 52.729 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 45.230 20.203 53.931 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 23.455 73.677 33.609 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 23.777 74.058 32.792 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 22.506 73.626 33.491 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 83.009 56.321 -3.365 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 82.080 56.475 -3.537 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 83.360 56.014 -4.201 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 75.802 83.973 21.823 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 75.356 83.432 21.172 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 75.159 84.641 22.061 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 35.570 82.320 14.906 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 34.713 82.746 14.898 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 35.961 82.582 15.740 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 36.025 65.245 11.393 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 36.766 65.737 11.039 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 36.400 64.721 12.101 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 72.692 45.658 43.224 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 72.437 46.338 42.600 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 73.365 45.154 42.767 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 42.810 78.771 -19.546 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 42.719 79.688 -19.289 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 42.237 78.677 -20.307 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 60.053 21.929 45.549 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 60.432 22.588 44.967 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 59.774 22.423 46.320 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 80.319 14.143 -11.182 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 80.974 13.493 -10.927 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 79.510 13.641 -11.285 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 60.532 73.474 53.599 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 60.172 72.695 54.024 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 60.885 73.152 52.769 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 73.287 67.062 -6.360 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 72.775 66.949 -5.559 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 73.302 66.193 -6.760 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 32.488 49.392 39.408 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 32.271 50.110 38.814 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 32.376 49.762 40.283 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 46.561 45.925 5.605 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 47.171 46.206 6.287 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 45.870 45.461 6.077 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 41.091 83.126 48.919 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 40.694 83.038 48.053 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 41.062 82.243 49.287 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 61.828 86.474 48.687 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 60.926 86.231 48.478 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 61.936 86.228 49.606 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 21.933 69.744 0.778 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 22.104 68.911 0.338 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 21.824 69.509 1.700 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 38.103 57.512 52.334 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 38.992 57.180 52.460 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 38.113 58.383 52.730 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 54.131 42.156 31.582 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 54.261 41.877 30.676 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 53.402 41.621 31.897 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 22.918 43.755 40.956 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 23.568 44.003 41.613 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 22.761 44.557 40.458 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 32.509 92.550 17.500 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 32.612 93.117 18.265 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 33.391 92.470 17.139 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 40.188 15.019 -12.202 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 39.670 15.042 -13.007 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 39.539 15.029 -11.499 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 83.723 71.340 55.318 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 84.517 71.850 55.157 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 83.008 71.966 55.199 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 80.184 43.539 20.138 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 79.997 44.073 19.366 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 79.915 44.083 20.878 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 57.603 6.319 24.006 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 58.215 6.616 24.680 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 57.344 7.119 23.548 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 73.859 50.082 28.081 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 73.157 49.504 28.380 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 73.631 50.285 27.173 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 34.130 21.982 3.578 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 33.339 22.475 3.798 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 34.817 22.380 4.113 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 72.746 19.532 -14.721 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 72.690 20.446 -15.000 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 73.345 19.126 -15.348 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 56.184 66.233 61.679 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 55.663 65.488 61.978 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 55.543 66.924 61.515 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 74.663 26.119 29.610 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 74.194 25.324 29.356 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 75.587 25.902 29.485 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 71.239 14.760 39.182 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 71.139 13.820 39.031 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 72.186 14.899 39.210 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 86.323 53.874 -12.338 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 86.910 54.578 -12.063 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 86.795 53.429 -13.043 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 70.353 28.616 34.263 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 70.748 27.824 33.898 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 69.484 28.655 33.865 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 53.361 60.491 16.401 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 53.813 59.864 16.966 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 52.431 60.316 16.545 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 24.132 80.538 29.892 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 24.323 80.446 28.959 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 23.600 79.771 30.105 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 67.511 53.618 64.009 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 67.412 54.404 63.473 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 66.655 53.192 63.971 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 80.567 79.132 2.548 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 81.264 79.600 2.088 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 80.857 79.106 3.460 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 65.915 45.054 10.294 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 65.178 45.663 10.334 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 65.920 44.627 11.150 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 35.663 94.853 -7.991 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 36.304 95.360 -8.490 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 35.283 95.484 -7.379 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 42.051 41.009 49.126 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 43.006 41.024 49.063 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 41.783 41.906 48.928 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 86.842 18.161 49.315 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 87.682 17.793 49.040 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 86.192 17.527 49.013 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 42.124 13.181 -11.615 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 41.999 13.419 -10.696 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 41.328 13.484 -12.051 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 46.863 31.549 -18.743 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 46.118 31.338 -18.180 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 46.530 32.216 -19.342 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 58.006 9.580 25.529 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 57.257 9.890 25.020 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 58.757 9.699 24.948 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 69.525 69.486 -2.823 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 69.135 69.800 -2.007 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 68.777 69.251 -3.372 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 79.920 16.878 46.708 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 80.810 16.532 46.647 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 79.404 16.315 46.131 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 21.271 58.519 9.226 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 20.910 59.197 9.798 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 22.131 58.324 9.599 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 48.393 70.014 -17.633 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 48.845 70.627 -17.053 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 47.713 69.622 -17.085 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 76.048 56.816 -6.245 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 75.640 57.034 -7.083 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 75.884 55.880 -6.133 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 76.152 64.203 5.479 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 76.760 63.591 5.066 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 76.686 64.970 5.684 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 35.180 81.946 17.568 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 34.867 81.196 17.063 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 35.197 81.637 18.473 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 85.345 64.082 30.825 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 84.497 64.173 31.260 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 85.706 63.266 31.171 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 27.888 15.467 44.935 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 28.319 16.321 44.894 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 28.155 15.103 45.779 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 22.704 64.158 30.049 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 22.179 64.905 29.763 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 23.517 64.230 29.549 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 29.356 68.909 28.804 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 29.843 69.520 28.251 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 28.983 69.456 29.496 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 76.904 67.774 7.399 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 77.074 67.355 6.556 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 77.537 67.375 7.997 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 71.573 88.858 4.727 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 70.944 88.162 4.919 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 71.237 89.272 3.932 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 28.077 89.601 0.932 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 27.540 88.858 1.205 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 27.460 90.329 0.857 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 62.518 27.654 17.414 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 62.078 28.349 16.925 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 62.187 27.742 18.307 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 22.815 71.171 21.625 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 22.765 70.387 21.078 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 22.126 71.051 22.278 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 37.307 38.138 35.559 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 36.848 37.440 35.093 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 38.222 38.042 35.295 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 81.003 19.729 10.359 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 81.833 20.203 10.407 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 81.234 18.821 10.552 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 32.703 30.608 21.849 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 32.159 30.458 21.076 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 32.523 29.859 22.418 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 72.834 76.762 1.591 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 71.903 76.949 1.716 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 72.871 75.816 1.450 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 69.316 74.767 14.509 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 69.843 74.630 15.297 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 68.526 74.246 14.655 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 34.749 40.123 16.882 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 35.214 40.091 16.046 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 35.001 39.314 17.327 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 66.395 20.043 10.958 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 66.363 19.248 11.489 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 66.092 20.736 11.544 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 52.510 66.233 8.728 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 53.395 65.916 8.906 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 52.288 66.765 9.492 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 57.767 67.139 20.303 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 57.539 66.477 19.650 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 58.570 66.809 20.707 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 34.247 64.497 -13.196 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 34.727 64.277 -13.994 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 34.153 63.663 -12.735 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 77.132 31.802 2.915 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 77.561 31.749 3.769 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 76.491 31.091 2.924 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 66.277 59.858 23.330 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 65.894 59.741 22.461 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 65.545 59.737 23.934 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 40.000 38.465 39.120 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 39.912 39.415 39.045 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 40.912 38.328 39.378 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 33.480 86.353 5.249 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 32.965 86.550 6.031 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 34.390 86.457 5.528 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 87.124 18.868 44.605 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 86.567 18.118 44.812 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 86.546 19.476 44.145 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 47.086 6.206 53.698 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 46.894 5.530 54.349 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 47.982 6.022 53.418 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 64.939 66.488 45.452 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 65.022 66.196 44.544 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 65.234 65.740 45.971 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 76.431 4.896 34.347 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 75.698 4.796 33.740 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 76.308 4.199 34.991 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 68.605 58.514 -4.540 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 68.127 58.396 -3.719 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 69.245 57.802 -4.550 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 60.493 6.457 2.482 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 60.646 5.519 2.593 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 60.502 6.591 1.534 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 79.134 1.036 34.654 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 79.192 0.438 35.399 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 79.960 1.520 34.671 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 61.419 15.501 21.383 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 61.311 16.381 21.744 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 61.744 15.645 20.494 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 76.532 43.181 14.958 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 77.427 43.496 14.833 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 76.232 43.621 15.753 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 25.668 88.975 -18.213 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 26.109 89.772 -17.921 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 25.424 89.154 -19.121 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 85.755 77.793 -5.219 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 85.635 77.042 -4.637 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 86.600 77.636 -5.640 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 38.974 84.255 63.450 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 39.748 83.697 63.522 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 38.350 83.735 62.943 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 20.444 55.876 4.855 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 20.641 56.112 5.761 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 19.832 56.550 4.558 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 61.986 52.938 3.926 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 61.728 53.462 3.168 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 61.915 53.538 4.669 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 76.321 90.271 5.452 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 77.093 90.445 4.913 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 76.115 89.351 5.285 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 84.824 4.141 36.175 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 84.344 3.673 35.492 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 84.306 4.004 36.968 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 65.258 29.614 -10.727 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 65.453 30.006 -9.876 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 64.572 30.169 -11.096 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 56.625 33.214 13.115 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 55.956 32.603 12.807 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 56.143 33.858 13.633 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 29.961 9.422 46.592 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 29.344 10.076 46.263 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 30.658 9.935 47.002 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 90.315 61.814 62.985 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 89.364 61.929 62.989 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 90.525 61.598 62.076 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 75.997 92.835 30.354 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 75.889 93.501 31.033 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 75.422 92.120 30.625 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 64.960 35.910 -7.044 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 65.519 35.349 -6.506 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 64.297 35.319 -7.400 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 66.098 50.709 53.018 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 66.377 50.535 53.917 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 66.907 50.678 52.506 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 48.099 74.779 -8.837 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 47.234 74.775 -9.246 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 48.100 75.562 -8.286 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 50.835 38.379 34.428 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 50.274 38.490 33.660 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 51.725 38.375 34.076 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 70.272 45.362 2.162 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 70.770 46.080 2.553 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 70.881 44.956 1.545 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 66.085 95.879 27.579 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 65.881 95.505 28.436 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 65.272 96.300 27.300 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 31.297 59.626 16.596 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 31.015 59.477 17.498 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 31.716 60.486 16.614 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 82.647 66.910 45.349 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 83.242 67.189 46.044 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 82.481 67.704 44.841 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 52.659 36.391 -8.826 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 53.373 36.665 -8.250 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 52.192 35.721 -8.327 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 63.704 7.923 -9.195 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 62.871 7.461 -9.287 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 63.964 7.771 -8.286 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 72.920 56.079 8.434 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 72.505 55.420 8.990 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 72.200 56.643 8.152 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 20.650 67.900 9.970 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 20.322 67.570 9.134 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 21.002 68.767 9.764 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 67.294 96.996 -9.795 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 67.148 96.050 -9.769 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 67.969 97.153 -9.134 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 61.291 96.219 19.742 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 60.622 96.551 20.340 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 60.797 95.845 19.013 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 26.844 62.363 3.861 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 27.505 63.020 4.081 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 27.260 61.526 4.068 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 51.122 57.339 46.704 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 51.466 57.423 47.594 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 50.997 58.241 46.409 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 87.015 49.318 20.991 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 87.893 49.648 21.185 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 86.465 50.102 20.966 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 22.573 33.678 -4.467 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 23.364 33.566 -3.940 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 22.424 34.624 -4.477 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 48.175 18.301 25.475 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 48.317 19.016 26.096 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 47.936 18.737 24.657 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 89.383 61.087 42.529 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 89.564 61.103 41.589 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 89.901 60.354 42.861 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 65.429 55.230 16.765 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 64.533 55.543 16.888 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 65.328 54.318 16.491 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 79.530 35.838 39.161 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 80.306 36.332 38.898 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 79.425 36.032 40.092 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 28.598 72.289 6.759 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 28.690 72.370 7.708 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 29.369 71.791 6.485 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 51.240 95.088 1.608 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 51.844 95.421 2.272 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 50.496 94.751 2.108 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 77.707 17.459 1.664 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 76.867 17.004 1.718 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 78.353 16.761 1.555 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 89.977 15.520 45.001 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 89.535 14.706 44.759 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 90.887 15.265 45.148 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 22.475 34.149 -12.133 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 22.744 33.232 -12.183 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 22.576 34.379 -11.209 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 28.496 27.321 38.944 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 28.569 28.117 38.417 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 27.576 27.290 39.205 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 56.853 93.746 61.399 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 56.677 93.847 60.463 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 57.697 93.296 61.438 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 58.773 61.849 -15.745 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 57.981 61.399 -15.452 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 58.974 62.464 -15.039 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 35.159 50.811 44.871 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 36.057 51.049 44.643 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 35.206 50.547 45.790 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 70.549 21.069 37.244 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 70.676 21.310 36.327 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 70.063 20.245 37.211 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 78.870 86.716 32.452 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 77.955 86.892 32.668 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 79.292 87.575 32.473 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 71.802 43.464 27.647 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 71.950 43.523 26.703 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 72.283 42.681 27.917 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 31.096 20.212 22.375 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 30.619 19.646 22.982 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 31.532 19.607 21.775 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 40.357 38.751 -18.448 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 39.587 39.251 -18.718 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 40.521 39.031 -17.548 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 27.773 26.689 21.377 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 27.400 27.569 21.327 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 27.014 26.106 21.368 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 42.263 7.778 8.818 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 41.588 7.473 8.211 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 42.379 7.053 9.432 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 42.345 47.937 48.939 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 42.576 48.750 49.390 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 42.785 47.999 48.091 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 42.093 39.251 15.494 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 41.833 39.976 16.063 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 42.871 38.884 15.914 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 26.500 5.394 25.173 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 26.017 4.686 24.745 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 26.120 6.195 24.811 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 74.234 38.355 46.837 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 74.463 38.669 47.711 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 75.054 38.392 46.345 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 87.145 95.987 48.664 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 86.721 95.738 49.486 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 87.386 95.155 48.257 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 52.928 14.238 57.247 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 53.371 13.520 56.795 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 52.387 14.649 56.573 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 51.506 22.742 41.364 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 51.988 22.194 41.983 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 50.851 23.191 41.899 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 48.126 27.080 -6.581 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 48.904 26.584 -6.327 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 48.412 27.612 -7.323 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 63.016 94.621 46.897 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 62.577 94.794 46.064 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 62.306 94.580 47.538 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 31.654 18.462 40.735 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 30.900 17.951 40.442 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 32.378 17.836 40.752 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 88.164 56.222 23.714 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 87.578 56.486 23.004 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 87.783 55.411 24.050 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 89.402 51.544 56.349 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 90.280 51.588 55.970 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 89.280 50.618 56.562 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 54.134 29.099 12.169 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 54.268 28.661 13.009 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 53.210 28.952 11.967 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 70.658 28.322 14.598 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 70.018 28.551 15.272 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 70.694 29.091 14.029 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 76.590 53.150 56.129 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 76.018 53.242 56.892 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 76.852 54.046 55.916 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 70.648 89.795 -9.157 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 70.183 88.972 -9.306 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 70.132 90.245 -8.489 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 70.630 73.082 12.734 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 69.909 72.982 12.113 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 70.313 73.724 13.369 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 48.989 24.731 41.307 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 49.243 24.231 42.083 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 48.504 24.106 40.767 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 38.782 23.588 10.319 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 37.840 23.420 10.315 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 38.992 23.800 9.409 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 53.973 91.118 48.236 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 54.871 91.440 48.151 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 53.428 91.840 47.925 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 88.273 96.342 -3.291 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 87.720 95.688 -3.717 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 89.097 96.314 -3.779 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 33.673 92.464 49.179 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 32.946 91.846 49.255 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 33.497 92.943 48.369 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 34.212 45.754 37.234 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 33.294 45.524 37.377 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 34.564 45.029 36.718 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 42.096 36.242 57.589 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 42.634 35.932 56.861 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 42.129 35.532 58.231 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 70.874 76.978 57.190 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 71.612 76.371 57.245 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 70.541 76.871 56.299 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 45.997 53.156 50.004 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 46.805 53.335 49.522 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 45.995 53.798 50.714 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 61.603 91.007 60.691 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 62.228 90.614 61.300 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 61.647 90.454 59.911 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 54.973 86.742 17.074 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 55.445 85.948 16.823 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 55.580 87.455 16.877 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 23.866 55.056 30.886 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 23.027 55.218 30.455 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 24.234 54.305 30.421 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 47.853 14.825 -3.491 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 48.754 15.096 -3.316 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 47.331 15.287 -2.836 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 27.593 80.116 -1.678 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 27.162 80.046 -0.827 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 28.529 80.079 -1.477 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 32.933 37.753 55.802 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 32.919 37.935 54.862 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 33.296 36.871 55.870 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 32.563 83.587 32.180 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 31.948 82.880 31.983 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 33.242 83.173 32.712 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 68.665 73.997 49.017 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 67.818 73.757 49.395 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 68.842 73.313 48.372 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 31.702 28.541 8.655 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 31.288 28.509 9.517 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 32.605 28.265 8.813 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 49.947 46.648 10.251 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 50.875 46.418 10.199 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 49.624 46.169 11.014 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 22.491 53.385 45.807 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 22.340 52.993 44.947 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 22.345 54.322 45.672 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 90.289 22.235 54.864 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 90.378 22.371 55.807 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 91.186 22.273 54.531 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 45.870 69.098 2.183 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 46.785 68.907 1.975 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 45.502 68.252 2.439 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 86.888 11.406 41.233 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 87.153 10.487 41.286 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 86.158 11.410 40.614 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 67.820 10.575 4.942 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 67.488 11.460 4.790 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 67.288 10.239 5.663 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 58.106 83.004 23.555 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 57.908 82.608 24.404 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 57.845 82.343 22.915 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 30.188 23.229 19.154 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 29.293 23.188 18.816 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 30.135 22.831 20.022 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 45.603 20.141 62.453 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 45.012 20.892 62.406 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 45.942 20.046 61.563 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 76.352 36.056 2.005 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 75.672 35.665 2.553 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 76.307 35.569 1.182 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 71.295 3.342 63.367 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 71.048 3.069 62.484 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 70.489 3.263 63.877 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 67.340 59.451 -6.849 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 67.344 59.263 -7.788 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 67.970 58.833 -6.479 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 79.498 36.620 46.218 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 79.898 37.480 46.093 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 80.199 36.079 46.583 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 70.510 44.906 14.841 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 70.264 45.755 14.475 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 69.695 44.555 15.202 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 67.613 34.344 23.240 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 67.150 33.516 23.367 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 68.186 34.186 22.490 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 48.758 33.144 -17.822 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 48.208 32.364 -17.738 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 48.902 33.234 -18.764 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 52.885 24.355 64.417 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 52.812 24.435 65.368 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 51.986 24.433 64.099 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 48.907 37.623 15.206 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 48.489 36.843 14.842 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 48.438 37.786 16.025 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 89.596 77.697 -14.528 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 89.749 77.596 -13.589 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 88.929 77.042 -14.734 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 80.630 80.024 36.932 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 81.104 79.920 37.757 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 79.710 79.896 37.167 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 50.537 4.992 11.668 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 49.939 5.626 11.272 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 50.295 4.978 12.594 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 27.185 36.290 31.893 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 28.038 36.128 32.295 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 26.816 37.016 32.396 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 62.246 25.044 59.965 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 63.050 25.439 59.628 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 61.900 24.538 59.229 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 22.520 42.650 27.938 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 22.121 42.592 28.806 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 22.928 43.516 27.919 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 42.103 96.365 45.720 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 41.161 96.464 45.579 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 42.465 96.237 44.843 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 21.307 72.928 7.379 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 21.956 72.712 8.050 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 21.817 73.319 6.670 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 62.357 40.121 -2.966 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 62.912 39.918 -2.213 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 62.920 39.976 -3.726 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 21.833 94.208 35.428 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 21.678 93.801 34.575 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 22.534 93.687 35.819 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 81.209 9.925 -15.895 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 81.975 10.380 -16.246 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 81.073 9.189 -16.492 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 22.255 28.385 53.148 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 21.625 27.949 52.576 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 22.711 29.004 52.576 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 25.409 48.494 30.262 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 24.520 48.806 30.429 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 25.416 48.275 29.331 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 82.994 30.638 54.495 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 83.052 29.792 54.051 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 83.788 31.102 54.231 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 77.885 40.162 4.784 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 77.492 39.866 5.605 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 78.827 40.154 4.952 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 66.644 75.683 3.188 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 66.323 76.436 3.684 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 66.650 74.965 3.821 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 26.947 76.235 -9.716 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 27.201 76.660 -10.535 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 27.748 76.222 -9.193 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 74.527 29.542 67.097 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 74.226 29.193 67.936 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 75.344 29.073 66.922 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 49.951 32.904 36.262 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 50.640 33.270 36.816 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 49.138 33.250 36.630 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 66.931 61.719 -5.359 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 66.227 61.392 -4.799 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 67.057 61.031 -6.012 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 52.376 64.082 57.876 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 53.021 63.455 58.202 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 52.372 63.951 56.928 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 33.230 13.733 -6.080 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 34.049 13.247 -5.988 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 32.985 13.619 -6.998 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 39.119 66.276 14.805 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 39.645 66.184 14.011 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 39.646 65.867 15.491 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 40.714 83.212 22.438 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 41.441 83.787 22.679 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 41.135 82.435 22.070 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 54.257 2.832 -18.919 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 54.936 3.498 -18.822 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 53.460 3.252 -18.594 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 61.557 33.875 13.370 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 60.837 33.332 13.049 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 61.430 34.721 12.939 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 53.429 37.693 49.223 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 52.774 38.275 49.608 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 54.176 38.262 49.037 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 66.787 40.638 27.530 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 67.409 40.290 26.891 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 66.577 41.514 27.208 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 85.524 64.501 9.554 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 86.035 63.795 9.158 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 85.023 64.075 10.249 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 27.395 52.819 -17.681 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 27.326 53.773 -17.649 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 26.489 52.516 -17.750 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 28.540 73.522 63.332 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 27.709 73.046 63.336 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 28.397 74.258 63.927 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 67.499 81.992 -6.932 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 66.966 82.771 -6.774 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 67.422 81.480 -6.126 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 67.520 35.106 48.785 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 67.380 34.284 48.316 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 68.355 35.434 48.450 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 66.030 29.243 59.641 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 65.508 29.738 59.009 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 65.559 29.339 60.469 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 26.466 6.255 56.479 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 26.582 6.409 57.417 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 27.240 5.754 56.221 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 69.378 94.714 21.164 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 70.078 95.365 21.103 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 68.928 94.767 20.321 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 20.509 61.804 0.461 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 21.031 61.057 0.166 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 20.426 61.680 1.406 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 35.889 0.821 14.200 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 36.784 0.664 14.501 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 35.910 1.706 13.836 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 89.048 51.111 48.035 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 88.122 51.326 48.151 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 89.080 50.155 48.081 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 67.913 71.685 52.227 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 68.446 72.202 52.831 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 67.039 71.685 52.616 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 59.127 66.954 33.026 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 58.684 66.984 32.178 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 58.612 67.533 33.587 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 82.940 12.012 -5.290 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 82.103 12.452 -5.146 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 83.425 12.601 -5.869 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 30.239 32.048 51.019 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 30.157 31.195 50.592 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 30.437 31.842 51.932 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 82.244 43.647 33.413 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 81.582 44.127 33.910 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 82.682 43.099 34.065 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 90.053 7.227 50.992 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 89.115 7.070 50.886 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 90.452 6.831 50.218 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 30.423 44.631 51.688 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 29.617 44.156 51.887 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 30.855 44.103 51.017 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 59.220 60.324 29.797 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 59.051 60.451 28.864 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 58.922 61.136 30.207 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 31.649 96.003 5.171 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 31.819 95.965 6.113 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 31.446 95.100 4.927 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 66.040 37.537 30.917 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 66.791 38.044 30.606 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 65.388 38.196 31.156 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 82.531 34.344 60.481 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 82.796 35.235 60.256 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 81.575 34.358 60.431 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 60.126 68.439 36.139 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 60.636 67.852 35.580 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 59.222 68.325 35.845 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 39.008 66.825 34.143 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 39.296 66.930 33.236 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 39.016 67.713 34.501 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 85.732 34.497 18.883 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 85.818 33.677 19.369 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 84.885 34.850 19.154 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 42.804 25.096 -10.462 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 43.626 25.534 -10.244 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 42.338 25.723 -11.016 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 43.817 42.671 -6.988 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 43.837 43.340 -6.304 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 42.926 42.322 -6.956 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 67.153 12.227 -16.321 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 67.751 12.899 -15.995 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 67.416 12.092 -17.231 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 55.575 51.111 -15.256 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 55.708 50.597 -14.459 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 56.279 51.760 -15.243 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 55.974 62.122 24.082 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 55.549 61.573 23.422 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 55.827 61.661 24.908 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 33.477 21.647 47.002 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 34.359 21.350 47.224 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 33.203 21.074 46.286 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 78.284 93.819 54.813 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 79.116 94.291 54.816 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 77.638 94.468 55.093 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 36.167 89.084 43.461 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 36.280 89.944 43.865 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 35.668 88.581 44.104 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 45.793 82.325 58.261 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 45.454 81.439 58.129 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 46.543 82.210 58.844 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 62.898 7.420 41.980 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 62.517 7.843 41.210 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 62.241 7.534 42.666 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 84.818 19.663 0.995 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 85.504 20.042 0.446 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 84.081 20.269 0.912 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 61.873 45.012 38.405 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 62.539 45.584 38.026 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 61.050 45.486 38.282 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 71.376 33.375 44.347 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 70.742 32.834 44.817 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 71.105 33.321 43.430 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 23.051 57.426 13.290 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 23.905 57.040 13.099 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 23.254 58.266 13.701 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 87.063 13.620 57.069 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 86.222 13.170 56.994 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 86.838 14.551 57.064 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 28.672 22.656 30.048 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 27.784 22.762 29.706 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 29.133 23.446 29.766 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 53.528 37.796 9.449 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 52.939 37.330 10.041 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 53.972 38.435 10.006 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 61.458 9.914 51.988 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 62.330 9.640 52.271 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 61.616 10.658 51.407 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 63.039 17.648 35.868 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 63.304 18.568 35.853 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 62.082 17.675 35.877 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 47.557 29.157 67.352 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 47.687 29.610 66.519 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 47.596 29.850 68.011 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 43.414 75.101 33.235 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 44.346 74.965 33.065 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 43.248 74.632 34.052 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 49.535 25.065 -2.324 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 48.996 25.786 -2.648 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 49.683 25.272 -1.401 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 48.699 7.465 5.762 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 49.203 6.667 5.925 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 48.436 7.765 6.632 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 55.834 48.768 -4.862 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 55.012 49.259 -4.878 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 56.286 49.083 -4.079 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 29.007 0.906 51.127 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 29.654 1.361 50.588 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 29.512 0.243 51.599 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 66.445 2.010 41.820 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 66.291 2.650 42.515 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 65.569 1.772 41.514 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 72.853 63.351 56.974 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 72.523 64.084 56.454 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 72.466 62.575 56.568 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 44.958 16.601 23.676 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 45.028 16.243 22.791 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 44.333 17.322 23.594 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 45.982 20.783 59.706 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 46.513 19.990 59.635 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 46.599 21.499 59.552 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 24.214 29.267 4.300 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 23.403 29.367 4.800 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 24.886 29.667 4.851 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 23.335 94.417 49.340 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 24.185 94.827 49.179 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 23.438 93.519 49.027 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 47.671 78.471 29.092 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 48.210 77.994 28.461 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 47.671 77.918 29.874 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 82.272 60.732 -1.868 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 81.655 61.157 -1.272 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 83.115 61.140 -1.671 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 30.642 5.999 31.255 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 29.901 5.990 30.649 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 30.710 6.911 31.536 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 34.143 6.328 10.068 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 34.695 7.084 10.270 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 33.664 6.157 10.879 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 52.124 3.923 -17.798 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 51.916 4.631 -17.189 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 51.717 3.147 -17.412 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 49.256 0.708 10.017 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 48.796 0.281 10.740 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 50.159 0.400 10.093 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 73.367 51.608 32.376 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 72.688 52.212 32.678 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 73.693 51.194 33.175 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 72.105 18.597 36.728 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 71.547 19.035 37.371 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 72.811 18.211 37.247 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 84.654 22.757 -16.932 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 85.340 22.896 -16.280 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 84.299 21.892 -16.727 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 83.239 0.383 11.061 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 84.134 0.540 11.362 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 83.336 0.129 10.143 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 27.511 22.272 12.012 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 28.411 22.095 12.285 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 27.439 21.869 11.147 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 90.179 28.745 41.203 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 89.406 28.533 40.680 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 90.342 29.671 41.025 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 26.544 67.969 45.498 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 26.938 67.594 44.710 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 26.757 67.345 46.192 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 75.827 72.060 22.746 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 75.602 72.262 21.838 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 75.211 72.575 23.267 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 39.328 90.011 -14.421 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 40.027 89.552 -14.886 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 39.774 90.474 -13.712 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 25.105 55.829 -10.483 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 25.711 56.549 -10.309 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 24.640 56.092 -11.278 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 49.882 91.171 -19.600 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 49.693 91.429 -18.698 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 49.027 90.953 -19.971 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 62.669 13.827 23.665 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 63.469 13.326 23.505 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 62.545 14.342 22.868 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 47.225 66.377 -18.461 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 47.976 66.783 -18.893 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 46.542 67.047 -18.485 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 25.914 45.889 62.159 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 26.414 45.138 62.480 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 26.286 46.074 61.297 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 61.970 4.737 49.312 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 61.087 5.096 49.401 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 61.835 3.848 48.983 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 63.095 42.080 45.014 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 62.435 41.393 44.923 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 63.201 42.429 44.129 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 23.345 42.298 66.069 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 23.649 42.313 65.161 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 22.410 42.105 66.006 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 34.578 52.820 41.451 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 34.426 53.394 42.202 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 34.750 53.417 40.723 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 65.356 43.854 31.365 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 65.146 44.221 30.507 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 64.683 44.206 31.948 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 29.045 86.413 13.857 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 29.627 87.041 13.430 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 29.364 86.363 14.758 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 86.921 76.118 10.835 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 87.413 75.750 11.569 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 87.375 75.795 10.056 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 26.296 34.354 63.826 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 26.362 35.309 63.819 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 25.882 34.148 64.664 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 21.261 42.196 18.823 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 21.454 41.386 18.351 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 20.484 41.991 19.343 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 56.455 29.070 15.985 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 57.242 29.456 16.370 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 55.752 29.677 16.217 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 69.622 86.455 4.980 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 69.312 86.321 5.876 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 68.949 86.999 4.571 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 67.307 25.241 -13.049 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 67.490 26.051 -12.573 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 66.354 25.228 -13.144 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 27.158 78.649 8.257 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 27.529 78.590 9.138 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 26.246 78.901 8.398 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 80.441 67.497 32.940 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 81.294 67.394 32.518 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 80.634 67.492 33.877 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 77.146 43.389 53.767 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 76.450 44.015 53.967 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 76.815 42.551 54.089 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 86.593 43.085 56.138 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 86.551 44.002 56.410 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 85.862 42.982 55.528 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 42.367 92.005 6.325 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 42.052 92.583 5.630 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 42.927 91.372 5.876 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 85.290 28.185 -12.138 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 85.564 27.613 -12.855 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 84.626 28.756 -12.526 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 45.751 55.282 7.606 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 45.420 55.537 8.467 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 46.704 55.308 7.698 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 57.144 62.048 38.980 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 56.398 61.502 38.732 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 57.316 62.585 38.207 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 46.422 93.401 21.335 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 45.800 92.703 21.538 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 47.278 93.033 21.557 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 20.086 71.860 -0.440 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 20.516 71.139 0.020 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 20.623 72.627 -0.239 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 56.556 45.736 -15.379 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 57.258 45.521 -14.765 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 57.008 45.956 -16.194 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 80.444 32.369 47.241 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 81.336 32.664 47.425 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 79.901 32.841 47.872 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 89.816 8.958 57.826 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 89.721 9.172 58.754 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 88.972 8.580 57.579 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 71.180 34.008 28.300 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 71.514 34.902 28.373 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 71.418 33.735 27.414 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 90.515 83.329 24.713 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 90.477 83.868 25.504 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 89.637 82.957 24.634 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 85.576 31.776 43.409 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 84.806 31.510 42.905 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 85.260 31.847 44.309 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 22.617 46.788 36.984 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 23.291 46.796 37.663 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 22.889 47.467 36.368 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 47.821 69.837 -12.891 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 48.601 69.467 -12.477 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 47.394 69.089 -13.309 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 79.986 2.707 -4.694 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 80.249 3.618 -4.566 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 80.602 2.203 -4.161 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 25.735 59.991 36.184 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 25.840 59.812 37.119 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 26.582 59.766 35.800 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 63.391 77.770 46.026 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 62.570 77.338 45.793 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 63.124 78.532 46.540 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 76.343 65.778 22.094 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 75.854 65.598 21.291 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 75.732 65.564 22.799 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 88.393 70.133 20.246 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 88.209 69.401 19.656 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 87.635 70.167 20.830 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 45.723 41.765 58.494 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 46.004 42.253 57.720 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 44.768 41.833 58.487 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 63.007 81.163 0.131 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 63.655 81.638 0.651 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 63.338 80.266 0.096 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 54.837 23.688 59.169 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 54.982 24.520 59.620 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 55.479 23.684 58.460 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 87.634 43.320 33.046 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 87.171 42.770 32.414 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 87.237 44.186 32.945 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 74.400 57.705 20.424 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 73.449 57.800 20.376 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 74.622 57.950 21.322 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 78.856 33.323 38.017 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 79.286 34.062 38.447 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 79.306 32.550 38.359 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 42.227 32.947 2.869 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 41.418 32.439 2.934 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 42.627 32.873 3.735 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 38.180 37.569 10.875 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 38.945 37.415 10.320 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 38.534 37.985 11.660 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 35.353 77.358 17.269 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 34.513 77.217 17.706 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 35.151 77.951 16.546 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 60.626 29.701 55.108 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 60.159 28.962 55.498 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 60.145 29.889 54.301 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 66.185 12.545 23.993 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 65.600 12.025 24.543 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 66.382 13.321 24.518 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 61.084 60.052 57.711 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 61.956 60.034 57.319 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 60.492 59.837 56.990 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 76.370 37.316 67.024 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 76.940 36.986 67.719 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 76.286 36.582 66.415 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 35.643 46.076 9.759 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 35.660 47.031 9.820 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 35.911 45.776 10.628 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 60.492 86.115 45.033 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 61.017 85.394 45.380 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 60.028 86.462 45.794 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 86.648 6.248 36.884 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 85.957 5.892 36.326 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 86.892 5.520 37.457 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 40.802 16.581 45.986 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 40.203 16.263 45.310 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 41.371 17.201 45.530 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 40.758 4.122 50.360 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 41.431 3.470 50.165 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 40.141 3.667 50.933 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 37.886 93.216 7.407 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 37.301 92.461 7.470 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 38.675 92.948 7.880 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 31.937 51.652 37.510 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 31.062 51.997 37.682 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 31.796 50.942 36.883 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 30.514 35.864 64.485 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 30.487 35.732 63.538 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 30.560 36.814 64.594 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 47.103 23.801 -2.477 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 47.984 24.075 -2.223 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 46.755 24.543 -2.973 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 90.333 39.166 -10.625 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 90.687 38.745 -9.842 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 89.448 39.433 -10.374 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 44.487 9.809 10.820 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 44.772 9.600 9.931 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 44.221 8.968 11.192 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 20.564 46.262 29.429 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 21.252 45.625 29.622 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 19.799 45.730 29.210 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 85.640 80.216 48.899 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 86.112 80.719 49.563 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 85.866 80.640 48.071 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 44.604 56.219 18.370 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 45.314 56.859 18.398 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 44.904 55.554 17.750 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 77.970 37.191 -2.881 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 77.931 36.506 -3.548 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 77.171 37.702 -3.015 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 20.813 28.558 -11.219 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 20.156 28.008 -11.645 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 21.041 29.213 -11.879 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 70.477 42.522 8.428 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 70.393 43.475 8.462 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 69.583 42.199 8.542 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 69.191 95.498 17.503 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 70.079 95.786 17.294 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 68.629 96.011 16.922 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 28.407 3.124 -8.220 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 28.275 2.373 -7.642 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 27.656 3.104 -8.814 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 86.769 18.959 59.198 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 87.100 18.150 59.589 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 87.556 19.443 58.947 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 90.569 38.511 18.051 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 89.962 38.383 18.781 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 91.339 37.994 18.287 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 21.124 3.234 37.715 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 21.217 3.113 38.660 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 20.193 3.421 37.588 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 48.329 34.202 42.125 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 47.723 34.883 41.833 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 47.764 33.506 42.460 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 48.346 23.770 -11.598 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 49.027 23.155 -11.869 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 48.412 23.797 -10.644 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 32.335 52.034 56.626 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 31.618 51.570 57.058 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 31.992 52.914 56.470 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 61.389 31.657 56.930 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 60.607 32.204 56.853 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 61.110 30.795 56.621 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 49.316 38.930 -5.421 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 50.015 39.478 -5.776 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 48.737 39.543 -4.967 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 90.923 35.578 32.760 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 90.500 34.784 32.433 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 90.794 36.222 32.064 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 48.189 13.748 50.015 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 47.381 14.234 50.177 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 48.158 13.534 49.083 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 54.457 59.136 63.517 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 53.852 58.902 64.220 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 54.505 58.352 62.970 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 65.861 21.703 45.988 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 66.750 21.411 45.785 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 65.981 22.443 46.583 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 65.566 41.367 -10.336 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 65.612 40.650 -10.968 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 64.731 41.797 -10.521 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 41.067 75.401 31.986 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 41.915 75.268 32.409 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 40.534 75.841 32.649 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 73.921 64.151 31.189 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 73.675 64.804 30.534 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 73.088 63.844 31.547 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 29.571 10.612 51.959 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 29.483 10.091 52.757 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 30.470 10.460 51.670 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 50.111 80.636 43.050 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 49.962 81.495 43.445 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 49.235 80.311 42.842 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 21.158 34.708 38.390 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 21.348 35.390 39.034 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 20.285 34.393 38.624 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 72.650 51.228 15.939 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 72.236 50.802 16.690 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 72.185 50.879 15.179 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 88.178 19.638 35.254 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 88.881 19.958 35.819 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 87.666 20.419 35.042 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 72.779 40.860 21.443 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 73.148 41.507 20.843 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 72.061 41.318 21.880 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 54.114 96.312 -3.550 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 54.023 95.392 -3.798 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 54.259 96.770 -4.378 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 89.244 28.801 13.975 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 89.338 29.740 14.134 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 88.302 28.668 13.871 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 90.553 73.897 60.820 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 90.484 74.803 60.518 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 89.979 73.854 61.585 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 69.856 65.959 45.357 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 69.813 66.850 45.011 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 70.239 65.444 44.646 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 52.222 42.159 10.452 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 51.944 42.376 9.562 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 51.443 41.785 10.862 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 21.401 45.558 50.654 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 22.178 45.039 50.451 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 20.800 44.939 51.070 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 66.270 26.555 39.953 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 67.074 26.059 40.109 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 65.869 26.641 40.817 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 34.543 21.661 59.946 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 34.858 22.549 59.780 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 34.279 21.336 59.085 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 26.166 75.633 39.657 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 26.519 75.034 40.315 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 26.892 75.778 39.050 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 36.232 50.632 38.890 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 35.967 51.534 38.712 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 37.188 50.665 38.922 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 74.043 89.251 18.616 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 74.850 89.334 19.124 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 74.279 89.557 17.740 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 81.453 6.018 47.921 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 81.069 5.534 47.190 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 80.716 6.484 48.315 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 27.212 39.311 40.752 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 27.821 40.046 40.677 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 26.502 39.524 40.146 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 65.459 38.571 20.232 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 65.347 38.436 19.291 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 65.965 37.814 20.525 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 86.628 18.883 -9.153 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 87.578 18.858 -9.270 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 86.413 18.039 -8.757 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 60.681 85.549 15.469 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 60.113 85.708 16.223 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 60.220 84.886 14.956 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 43.077 80.676 29.730 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 43.764 81.341 29.684 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 43.532 79.850 29.569 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 50.062 40.540 45.180 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 49.267 40.334 45.671 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 50.182 39.794 44.593 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 34.206 71.077 41.177 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 34.313 70.126 41.146 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 34.463 71.376 40.305 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 69.672 22.776 48.290 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 69.257 21.948 48.048 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 69.192 23.438 47.792 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 31.906 48.605 33.078 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 31.285 47.889 32.942 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 32.763 48.179 33.095 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 35.526 87.431 -0.253 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 34.798 87.112 -0.786 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 35.675 88.325 -0.560 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 70.702 50.295 -12.414 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 70.761 49.691 -13.155 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 71.431 50.048 -11.845 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 30.490 37.630 -18.894 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 31.154 36.941 -18.934 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 30.919 38.350 -18.431 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 37.221 80.227 6.192 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 37.167 80.834 5.454 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 38.005 79.706 6.019 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 54.625 45.222 -13.193 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 54.215 44.367 -13.058 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 55.271 45.071 -13.883 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 60.763 16.778 42.161 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 61.024 17.059 41.284 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 60.386 15.907 42.031 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 87.564 71.044 0.037 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 88.191 70.321 0.033 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 87.914 71.662 0.679 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 48.723 21.060 51.275 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 48.615 20.602 52.108 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 47.830 21.197 50.959 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 36.121 60.923 -7.769 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 36.360 61.559 -7.095 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 36.792 61.025 -8.444 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 79.824 73.159 14.828 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 80.291 72.848 15.603 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 78.914 72.903 14.976 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 31.177 47.321 58.897 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 31.377 47.975 58.227 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 30.771 47.820 59.606 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 21.517 46.685 17.517 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 22.438 46.465 17.655 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 21.489 47.641 17.561 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 37.219 48.350 15.352 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 37.297 48.805 16.190 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 38.080 47.956 15.212 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 78.484 36.697 57.861 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 78.423 37.500 57.343 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 78.613 36.003 57.215 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 67.272 62.293 43.653 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 66.449 61.804 43.684 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 67.404 62.597 44.551 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 44.151 53.518 31.649 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 44.069 54.294 32.203 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 44.832 53.747 31.016 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 82.289 66.796 12.117 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 81.951 65.907 12.015 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 82.994 66.712 12.760 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 20.804 86.972 14.580 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 21.216 86.258 15.066 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 19.865 86.847 14.718 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 35.025 83.261 5.992 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 35.140 83.031 5.070 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 34.099 83.094 6.167 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 70.306 57.880 14.941 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 69.460 58.003 14.510 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 70.364 58.601 15.567 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 26.047 61.938 48.840 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 26.795 62.375 48.432 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 25.754 62.547 49.517 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 27.118 79.973 20.905 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 27.025 80.893 21.152 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 26.232 79.616 20.968 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 38.219 53.359 38.826 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 37.368 53.777 38.696 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 38.856 54.054 38.656 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 25.491 25.161 49.335 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 24.890 24.652 48.793 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 25.247 24.943 50.235 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 28.901 79.670 0.963 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 28.732 78.764 0.705 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 28.074 79.971 1.337 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 62.803 87.030 19.405 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 63.176 86.238 19.017 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 62.015 86.727 19.856 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 47.202 53.498 53.349 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 46.387 53.384 53.837 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 47.045 54.262 52.795 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 64.038 40.921 2.194 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 63.585 40.466 2.905 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 63.466 41.657 1.977 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 39.275 66.748 66.921 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 39.844 66.039 66.618 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 39.082 67.254 66.132 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 35.856 59.443 1.397 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 35.260 59.564 2.136 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 36.591 58.948 1.759 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 78.725 6.032 46.322 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 78.941 6.930 46.069 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 78.929 5.991 47.256 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 60.243 48.662 15.737 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 61.153 48.744 16.022 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 59.728 48.890 16.512 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 47.346 28.567 -15.124 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 47.203 28.047 -15.915 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 46.478 28.900 -14.897 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 23.903 -0.384 63.946 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 23.712 0.516 63.681 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 24.371 -0.295 64.776 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 25.792 76.246 -15.386 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 26.260 76.965 -14.961 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 25.333 76.659 -16.118 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 43.262 18.946 28.013 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 42.556 19.235 27.436 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 42.898 18.195 28.481 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 47.642 29.267 28.684 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 47.265 29.697 27.916 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 47.004 29.420 29.381 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 24.000 56.407 55.154 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 24.657 57.046 54.878 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 23.709 55.995 54.341 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 85.487 55.794 -7.874 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 85.410 54.889 -7.573 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 84.632 56.182 -7.690 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 57.678 57.490 23.513 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 56.825 57.669 23.116 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 57.560 57.700 24.439 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 27.749 57.142 54.855 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 28.107 56.345 55.247 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 28.509 57.586 54.480 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 84.662 55.836 2.562 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 85.586 55.779 2.316 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 84.648 56.440 3.304 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 28.647 71.378 2.622 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 28.103 71.558 3.389 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 29.378 71.991 2.697 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 87.168 88.739 -5.321 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 87.348 87.875 -4.949 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 87.458 88.675 -6.230 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 78.572 72.194 -5.370 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 78.383 72.693 -4.575 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 77.903 72.475 -5.994 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 50.498 22.408 66.562 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 49.573 22.651 66.601 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 50.661 22.233 65.635 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 83.108 22.624 47.437 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 82.866 22.330 48.315 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 83.327 23.549 47.546 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 55.948 81.706 39.843 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 56.453 81.103 40.389 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 56.607 82.178 39.333 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 79.276 82.487 -15.239 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 79.469 82.992 -14.449 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 78.320 82.466 -15.282 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 23.619 69.412 59.479 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 23.027 69.060 60.143 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 23.301 70.302 59.323 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 42.387 60.744 -3.490 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 41.688 60.683 -2.839 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 43.078 60.172 -3.156 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 54.222 65.790 20.801 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 54.498 66.461 20.176 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 54.851 65.078 20.683 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 88.135 37.565 16.049 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 87.405 37.419 15.448 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 87.982 36.950 16.766 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 37.313 21.185 57.658 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 38.037 20.618 57.392 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 37.661 21.689 58.393 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 45.225 37.657 14.954 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 45.776 37.224 15.606 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 44.382 37.774 15.392 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 71.740 44.994 31.799 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 71.195 45.448 32.441 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 71.357 45.225 30.953 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 44.727 2.438 53.681 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 44.598 2.587 54.617 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 45.662 2.588 53.541 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 75.061 82.531 29.897 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 74.701 82.219 29.066 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 74.544 82.083 30.566 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 34.545 59.285 -5.214 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 34.384 59.371 -4.274 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 34.297 60.135 -5.578 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 35.820 36.574 33.871 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 34.878 36.733 33.944 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 35.997 36.615 32.931 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 86.311 55.257 36.925 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 87.049 55.281 37.534 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 85.549 55.080 37.477 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 25.873 4.430 36.543 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 25.632 5.103 35.907 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 26.819 4.328 36.436 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 66.461 49.749 56.004 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 65.595 49.427 56.254 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 66.439 50.684 56.211 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 83.305 14.141 64.728 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 84.043 13.831 65.253 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 83.104 13.410 64.142 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 55.713 24.418 16.779 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 55.541 24.986 17.530 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 54.908 24.453 16.263 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 77.978 87.730 20.533 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 78.911 87.770 20.322 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 77.758 86.800 20.472 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 55.667 80.693 57.648 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 55.572 79.741 57.620 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 55.525 80.975 56.744 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 21.855 43.539 -16.147 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 22.209 42.859 -15.573 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 22.509 44.238 -16.121 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 57.046 45.468 4.063 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 56.117 45.260 3.964 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 57.268 45.954 3.269 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 52.469 70.790 -2.135 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 53.294 71.139 -1.798 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 51.947 70.608 -1.354 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 74.981 71.814 50.542 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 75.025 70.933 50.172 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 74.102 72.123 50.324 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 21.075 61.379 5.627 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 21.488 60.522 5.519 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 21.805 61.983 5.759 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 23.850 59.355 65.645 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 24.139 59.430 66.554 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 23.938 60.240 65.291 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 23.966 29.524 31.038 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 24.740 29.851 30.581 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 23.240 29.703 30.440 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 78.283 75.421 19.996 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 77.933 74.766 19.392 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 78.545 74.920 20.768 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 45.747 29.606 30.820 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 45.393 29.940 31.644 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 45.630 28.657 30.875 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 51.251 22.291 -11.820 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 52.110 22.128 -12.210 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 50.629 22.119 -12.527 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 78.113 62.802 13.382 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 77.256 63.173 13.171 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 78.265 62.146 12.702 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 50.873 94.225 4.307 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 50.442 93.894 5.094 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 50.158 94.383 3.690 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 50.167 17.268 54.400 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 50.154 16.559 55.044 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 50.839 17.008 53.770 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 75.499 38.788 2.563 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 75.338 38.963 3.490 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 75.340 37.849 2.465 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 49.096 15.586 25.661 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 49.920 16.059 25.777 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 48.546 16.183 25.153 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 67.855 77.328 -16.185 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 68.810 77.340 -16.246 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 67.659 76.567 -15.638 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 56.409 67.550 -11.944 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 55.526 67.390 -11.612 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 56.787 68.178 -11.329 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 67.761 85.563 56.609 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 67.248 84.796 56.863 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 68.461 85.609 57.261 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 55.832 8.218 60.041 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 55.315 7.502 60.410 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 55.231 8.666 59.446 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 69.767 65.977 63.872 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 70.595 66.353 64.174 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 70.024 65.206 63.367 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 27.009 83.378 -0.234 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 26.216 82.849 -0.147 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 27.408 83.080 -1.051 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 88.591 24.146 12.534 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 87.871 24.776 12.566 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 88.178 23.324 12.271 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 79.367 41.710 38.931 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 79.696 40.952 38.448 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 78.793 42.159 38.310 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 21.335 44.475 61.868 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 20.825 44.291 62.656 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 22.173 44.803 62.194 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 37.033 43.778 -8.165 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 37.568 43.560 -7.402 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 36.566 44.574 -7.911 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 40.931 45.440 56.558 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 41.006 44.606 57.022 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 41.674 45.957 56.871 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 76.756 3.664 41.705 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 77.342 4.128 42.303 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 75.889 3.754 42.101 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 21.104 84.209 51.406 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 21.657 84.798 50.894 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 20.976 83.447 50.841 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 79.258 22.130 34.249 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 79.720 22.630 33.577 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 78.836 21.417 33.769 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 36.147 45.303 -4.197 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 36.627 45.099 -3.395 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 35.241 45.065 -4.002 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 42.727 59.770 -6.163 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 41.929 59.275 -6.350 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 42.529 60.250 -5.360 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 33.887 55.211 53.402 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 32.998 54.944 53.169 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 34.000 56.063 52.981 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 29.501 68.690 25.000 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 28.836 68.242 25.522 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 29.431 69.609 25.260 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 38.896 25.928 54.701 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 39.465 25.161 54.764 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 39.437 26.595 54.279 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 26.197 88.822 18.392 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 27.118 88.640 18.205 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 25.977 89.557 17.821 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 74.900 38.445 55.099 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 74.779 38.189 54.185 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 74.415 37.787 55.598 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 88.363 71.271 39.795 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 88.703 71.304 38.901 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 88.738 70.472 40.166 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 24.764 80.283 24.627 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 25.564 80.748 24.382 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 24.072 80.718 24.128 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 50.199 89.257 47.835 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 50.765 88.749 47.254 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 50.554 89.103 48.710 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 58.164 53.096 2.909 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 58.683 53.832 3.235 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 57.274 53.280 3.208 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 87.641 31.318 -4.201 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 86.761 31.429 -3.842 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 88.215 31.323 -3.435 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 39.849 31.508 64.887 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 40.082 31.701 65.795 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 38.920 31.278 64.922 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 49.060 23.609 -8.575 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 49.276 24.188 -7.845 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 48.914 22.754 -8.168 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 34.481 62.043 -11.940 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 34.859 61.214 -12.231 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 33.776 61.789 -11.343 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 36.008 47.098 13.488 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 36.351 47.571 14.246 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 36.703 46.483 13.254 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 37.380 69.981 -13.895 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 37.781 69.690 -14.714 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 36.857 69.234 -13.606 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 73.192 89.527 66.779 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 72.339 89.938 66.918 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 73.327 89.568 65.832 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 45.412 58.420 49.699 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 45.717 58.556 48.801 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 45.746 57.555 49.937 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 70.422 86.524 39.938 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 70.461 85.627 39.607 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 71.338 86.776 40.056 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 31.842 40.845 36.693 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 32.646 41.111 37.140 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 31.394 40.280 37.323 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 39.246 52.041 -9.071 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 38.520 52.479 -9.515 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 39.542 52.672 -8.414 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 59.049 2.468 43.871 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 59.882 2.860 44.133 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 58.562 2.370 44.689 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 64.590 50.471 -12.390 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 65.537 50.600 -12.451 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 64.398 50.542 -11.455 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 62.652 -0.159 42.786 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 63.136 -0.463 42.018 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 62.322 0.704 42.535 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 58.120 37.198 47.138 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 58.497 36.395 46.779 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 58.733 37.887 46.881 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 69.291 18.608 57.189 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 69.271 19.498 56.838 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 68.396 18.447 57.487 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 27.594 38.538 7.751 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 27.425 38.735 8.672 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 28.459 38.130 7.747 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 30.842 66.082 22.257 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 31.438 66.121 23.005 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 31.387 65.780 21.530 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 60.306 5.834 60.723 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 60.509 5.101 61.305 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 59.638 6.333 61.192 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 28.630 36.770 -5.672 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 29.532 36.462 -5.587 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 28.705 37.612 -6.121 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 84.269 86.143 -3.893 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 84.024 86.911 -4.408 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 85.064 86.409 -3.429 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 32.163 0.002 7.879 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 31.996 0.927 7.699 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 33.091 -0.032 8.115 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 46.489 5.395 25.883 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 47.188 5.809 25.377 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 45.855 6.096 26.035 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 28.122 82.977 -12.301 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 28.442 83.155 -13.186 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 27.857 83.834 -11.965 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 62.997 25.855 7.880 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 62.722 25.190 7.249 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 62.959 25.411 8.728 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 58.914 22.403 -0.189 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 58.311 22.643 0.514 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 58.357 22.304 -0.960 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 79.921 21.484 37.450 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 79.840 22.412 37.673 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 79.810 21.454 36.500 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 77.540 53.158 -19.088 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 76.604 53.067 -19.266 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 77.683 52.651 -18.289 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 76.037 4.898 -5.367 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 75.556 5.393 -6.030 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 76.863 5.372 -5.266 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 43.038 27.768 36.099 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 42.559 28.509 36.468 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 43.042 27.929 35.155 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 73.656 18.031 -12.566 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 73.618 18.862 -13.040 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 72.838 17.588 -12.793 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 40.760 48.647 -14.645 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 41.704 48.807 -14.636 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 40.368 49.518 -14.586 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 45.723 61.300 -12.836 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 46.664 61.159 -12.937 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 45.531 61.006 -11.945 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 88.760 20.455 52.829 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 89.188 21.059 53.435 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 89.343 20.424 52.070 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 39.704 45.292 7.062 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 39.929 45.974 7.694 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 39.675 44.487 7.579 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 59.426 41.055 40.137 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 60.080 41.346 40.773 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 59.057 41.865 39.785 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 80.798 11.186 -13.523 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 80.639 11.937 -14.095 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 80.958 10.458 -14.123 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 21.191 91.722 24.746 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 20.362 91.956 25.162 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 21.369 92.444 24.143 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 67.489 14.981 41.275 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 66.545 14.898 41.144 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 67.767 14.116 41.576 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 73.768 45.177 64.678 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 73.562 45.925 64.117 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 73.960 44.465 64.067 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 87.899 48.304 48.170 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 86.953 48.217 48.286 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 88.195 47.423 47.943 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 30.121 57.478 66.532 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 29.787 57.013 67.299 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 30.721 58.132 66.890 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 76.374 77.689 -13.289 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 76.825 78.335 -12.745 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 75.852 77.177 -12.672 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 36.163 16.928 63.531 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 36.849 16.269 63.428 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 35.382 16.522 63.156 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 31.544 52.360 -18.617 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 31.172 52.840 -17.877 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 32.479 52.306 -18.422 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 45.108 65.551 -2.876 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 45.398 65.759 -1.988 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 44.333 65.003 -2.753 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 29.298 23.981 59.968 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 28.692 24.720 60.016 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 30.060 24.262 60.475 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 74.780 33.067 8.780 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 75.680 32.757 8.684 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 74.867 33.996 8.995 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 83.689 21.237 -6.583 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 83.825 20.292 -6.513 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 83.928 21.448 -7.485 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 89.756 90.962 -0.021 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 89.177 90.441 0.535 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 89.189 91.636 -0.395 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 34.020 63.223 -4.352 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 33.784 62.679 -3.601 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 33.774 64.111 -4.093 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 25.535 24.202 43.664 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 24.787 24.418 44.220 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 25.867 25.050 43.368 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 39.639 28.884 29.969 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 38.859 29.415 29.810 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 40.140 29.379 30.617 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 72.611 48.903 -3.076 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 72.001 48.580 -2.413 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 72.066 49.411 -3.677 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 58.744 30.442 17.496 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 58.092 31.117 17.305 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 58.933 30.549 18.428 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 29.040 2.441 14.639 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 29.712 3.048 14.948 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 29.482 1.910 13.976 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 24.222 71.989 4.490 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 23.906 72.763 4.956 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 24.229 72.249 3.569 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 65.422 15.807 66.972 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 64.803 15.124 67.229 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 64.871 16.540 66.698 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 25.236 24.633 60.536 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 24.604 24.842 59.848 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 26.048 25.052 60.252 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 70.896 27.344 2.218 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 70.756 27.291 1.273 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 71.823 27.137 2.335 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 48.598 85.733 42.330 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 49.078 85.190 41.704 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 49.198 85.834 43.069 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 40.461 46.632 -19.009 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 41.018 47.290 -18.594 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 39.952 46.259 -18.289 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 76.375 54.512 66.307 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 76.592 55.320 66.771 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 76.600 53.814 66.922 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 72.791 87.074 -18.925 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 72.729 87.847 -19.487 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 72.531 87.385 -18.058 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 28.486 92.927 6.220 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 27.815 93.169 6.860 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 29.085 93.673 6.208 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 64.662 59.980 -4.957 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 64.325 59.821 -4.075 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 65.034 59.141 -5.227 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 83.332 23.503 -2.346 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 84.122 23.610 -1.816 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 82.992 24.392 -2.452 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 76.711 88.046 37.440 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 76.046 88.450 36.882 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 76.466 88.301 38.329 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 79.395 15.083 -14.028 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 78.604 14.546 -14.074 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 79.628 15.086 -13.100 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 73.911 50.694 34.650 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 74.208 51.390 35.236 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 73.124 50.346 35.070 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 58.890 11.408 -8.104 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 58.666 10.597 -7.648 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 58.671 11.237 -9.020 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 67.621 33.318 14.269 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 67.024 32.674 14.649 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 67.124 34.136 14.270 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 49.885 2.755 66.156 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 49.895 3.617 66.572 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 50.122 2.148 66.857 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 27.379 52.085 54.180 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 26.875 52.562 54.839 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 28.115 51.711 54.664 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 80.184 15.825 -4.328 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 80.590 16.185 -5.116 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 79.281 16.139 -4.358 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 78.188 27.790 0.860 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 78.654 26.977 1.053 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 77.325 27.672 1.257 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 80.592 40.276 29.924 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 80.300 39.885 30.748 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 80.703 41.205 30.126 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 38.242 15.221 -10.357 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 37.825 14.546 -9.821 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 38.646 15.814 -9.723 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 24.295 21.337 41.056 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 25.001 21.895 40.731 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 24.485 20.472 40.691 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 87.058 43.802 42.995 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 87.893 44.155 42.688 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 86.930 43.005 42.481 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 26.623 33.599 26.461 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 26.311 33.946 25.625 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 26.537 32.650 26.374 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 78.571 37.953 1.820 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 77.842 37.387 1.566 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 79.197 37.364 2.242 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 46.210 57.385 -5.553 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 46.190 58.330 -5.704 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 46.732 57.280 -4.758 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 22.398 87.499 4.418 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 22.923 88.183 4.832 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 21.494 87.802 4.509 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 60.339 24.283 11.177 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 60.140 24.067 12.088 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 59.628 24.864 10.907 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 82.595 71.955 -18.375 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 82.017 71.207 -18.223 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 82.002 72.698 -18.488 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 38.111 15.388 65.804 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 37.949 15.143 64.893 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 37.873 14.609 66.308 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 74.153 38.991 62.109 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 73.920 38.063 62.079 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 74.403 39.146 63.020 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 71.424 43.663 55.681 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 70.645 43.119 55.571 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 71.276 44.413 55.105 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 50.072 41.606 12.241 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 49.475 40.871 12.381 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 49.981 42.143 13.028 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 66.070 9.393 27.613 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 66.989 9.216 27.812 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 65.659 8.529 27.588 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 32.782 51.032 47.893 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 33.542 50.486 48.095 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 33.129 51.923 47.856 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 54.328 87.733 -13.023 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 54.934 88.065 -12.361 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 54.872 87.589 -13.797 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 34.921 67.589 -13.360 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 35.662 67.125 -12.970 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 34.787 68.349 -12.793 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 39.338 16.525 -8.416 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 39.100 15.932 -7.703 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 39.542 17.353 -7.983 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 48.263 28.110 42.230 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 48.733 28.935 42.108 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 47.947 27.883 41.355 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 77.452 86.016 54.358 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 77.534 85.081 54.544 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 77.563 86.083 53.410 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 88.667 69.048 -16.822 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 89.350 68.642 -17.356 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 89.141 69.477 -16.110 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 60.976 69.682 45.554 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 60.604 69.575 44.678 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 61.148 68.789 45.852 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 70.998 13.772 53.225 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 70.976 13.348 52.368 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 70.171 13.523 53.638 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 31.513 34.650 9.762 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 31.615 34.826 8.827 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 30.643 34.261 9.840 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 74.524 55.057 37.592 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 74.428 54.980 38.541 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 73.637 54.946 37.250 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 46.787 41.467 44.715 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 47.298 40.888 44.149 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 47.343 42.237 44.835 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 26.326 24.438 6.825 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 25.731 25.166 6.645 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 26.725 24.656 7.667 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 41.824 50.696 49.278 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 40.936 50.409 49.491 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 42.193 50.975 50.115 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 39.280 59.512 59.688 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 40.200 59.762 59.600 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 39.044 59.158 58.831 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 49.835 57.798 -18.094 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 49.477 58.668 -17.920 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 50.776 57.892 -17.948 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 76.133 75.105 31.022 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 75.934 74.217 30.725 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 77.083 75.113 31.137 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 42.678 36.131 41.371 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 41.897 36.224 41.915 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 42.649 36.883 40.779 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 54.687 69.487 -10.843 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 54.371 70.309 -10.468 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 54.962 68.968 -10.087 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 49.401 95.752 43.976 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 49.201 95.648 43.046 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 50.342 95.927 44.001 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 23.052 63.103 -2.586 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 22.367 63.717 -2.319 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 22.790 62.268 -2.199 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 53.359 82.003 5.276 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 53.969 81.267 5.236 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 53.329 82.239 6.203 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 53.349 66.520 30.372 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 52.626 66.037 29.971 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 54.042 66.508 29.711 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 55.533 35.457 47.895 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 55.301 36.216 48.429 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 56.092 35.812 47.204 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 30.968 73.329 2.815 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 31.516 74.108 2.721 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 31.134 73.025 3.707 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 44.537 59.156 15.063 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 44.344 60.070 15.271 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 45.286 58.937 15.617 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 84.987 71.417 -14.125 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 84.083 71.232 -14.381 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 85.211 70.716 -13.512 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 35.907 15.724 -12.216 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 35.385 14.942 -12.401 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 36.756 15.384 -11.936 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 45.759 23.014 41.539 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 45.643 22.481 42.325 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 46.222 23.794 41.844 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 82.552 46.161 31.244 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 82.702 45.276 31.576 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 83.429 46.530 31.139 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 57.227 2.370 62.177 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 57.744 2.475 62.976 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 57.434 1.488 61.871 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 61.744 50.817 41.939 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 62.120 50.987 41.075 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 62.371 50.230 42.362 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 67.951 60.152 41.263 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 68.034 60.977 41.742 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 67.439 60.376 40.486 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 69.387 5.766 55.316 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 69.207 6.673 55.562 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 69.230 5.738 54.372 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 76.091 94.189 39.033 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 76.097 95.131 39.203 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 76.787 93.840 39.590 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 42.601 70.592 2.726 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 42.372 71.181 3.446 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 42.665 69.729 3.133 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 74.645 33.491 -5.975 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 75.096 34.229 -5.563 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 74.044 33.171 -5.302 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 75.158 0.065 -18.719 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 75.070 0.917 -19.146 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 74.561 0.108 -17.972 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 34.450 68.837 10.821 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 34.149 68.401 10.024 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 35.356 68.547 10.926 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 57.833 35.368 -5.585 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 58.348 34.569 -5.696 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 58.483 36.053 -5.427 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 36.991 65.859 26.729 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 37.470 65.033 26.781 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 37.671 66.533 26.737 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 25.198 71.436 48.443 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 24.417 71.238 47.926 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 25.930 71.205 47.870 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 48.781 69.558 -9.520 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 49.190 68.705 -9.374 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 48.058 69.588 -8.894 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 32.786 21.274 64.316 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 33.326 21.261 65.106 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 32.891 22.160 63.969 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 81.050 55.955 33.869 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 81.917 56.347 33.975 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 80.441 56.648 34.122 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 54.433 20.298 7.558 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 55.300 20.704 7.542 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 53.823 21.036 7.563 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 86.345 85.305 23.006 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 85.668 84.859 23.516 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 86.940 85.669 23.663 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 40.866 59.910 62.128 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 40.286 59.283 61.696 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 41.258 60.408 61.411 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 88.413 69.544 48.092 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 87.529 69.191 48.194 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 88.632 69.380 47.174 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 56.496 85.078 29.188 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 56.758 85.394 28.324 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 57.316 85.006 29.676 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 88.082 12.178 50.342 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 88.459 12.894 50.854 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 88.807 11.565 50.218 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 87.905 18.466 -16.994 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 87.679 18.517 -16.065 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 88.295 17.598 -17.099 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 88.488 36.421 9.649 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 87.532 36.384 9.670 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 88.746 35.677 9.104 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 27.044 37.601 -16.439 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 27.882 37.978 -16.170 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 27.099 37.549 -17.393 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 90.485 26.234 -15.964 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 90.264 26.255 -15.033 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 91.396 25.940 -15.987 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 61.355 96.089 1.313 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 62.300 95.970 1.401 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 61.195 96.054 0.370 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 65.312 96.256 -2.909 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 64.489 96.226 -3.397 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 65.642 97.143 -3.051 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 88.158 81.545 37.155 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 87.439 81.714 36.546 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 88.733 80.940 36.686 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 63.411 10.700 21.147 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 64.363 10.687 21.246 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 63.187 11.629 21.096 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 22.500 9.074 -4.348 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 22.230 9.713 -5.008 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 23.341 9.399 -4.029 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 25.909 4.971 15.794 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 26.448 4.405 16.347 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 26.178 5.860 16.026 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 54.100 50.400 43.761 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 54.514 49.547 43.630 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 54.519 50.753 44.546 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 37.478 9.747 -0.887 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 36.835 10.443 -1.020 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 38.315 10.206 -0.808 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 90.571 7.904 54.222 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 90.427 8.556 54.908 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 89.691 7.654 53.940 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 52.257 91.294 63.472 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 53.084 91.054 63.890 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 51.586 91.046 64.109 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 59.515 20.771 53.137 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 58.633 20.406 53.072 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 59.568 21.402 52.419 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 71.092 35.543 -6.097 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 72.017 35.487 -6.339 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 70.767 36.310 -6.569 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 58.358 14.677 36.327 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 57.536 15.031 36.665 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 58.110 14.212 35.528 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 83.273 75.678 7.475 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 82.342 75.480 7.577 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 83.665 74.852 7.194 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 81.676 62.642 35.703 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 80.876 62.188 35.967 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 81.380 63.308 35.082 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 72.715 73.862 37.933 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 72.211 74.476 38.468 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 72.067 73.458 37.357 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 46.770 2.957 60.745 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 46.004 2.514 61.110 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 47.153 3.426 61.486 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 31.212 12.842 -4.390 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 31.450 11.924 -4.260 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 31.802 13.148 -5.079 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 65.417 36.573 56.656 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 65.854 36.641 57.505 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 64.923 35.755 56.706 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 80.591 16.958 51.316 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 80.088 16.708 50.541 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 81.494 16.727 51.100 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 59.645 14.919 1.490 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 59.104 14.631 2.225 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 59.029 15.331 0.884 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 77.958 92.446 34.941 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 77.295 92.807 35.530 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 78.610 92.057 35.524 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 80.855 52.976 29.122 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 80.293 52.210 28.999 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 80.477 53.432 29.874 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 39.564 42.655 66.378 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 39.885 43.135 65.615 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 39.100 43.313 66.897 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 24.715 5.333 42.199 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 25.067 4.770 42.888 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 25.223 5.106 41.420 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 66.699 32.077 35.904 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 67.574 32.411 36.103 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 66.287 32.775 35.394 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 52.768 64.776 60.571 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 53.609 64.320 60.585 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 52.494 64.747 59.654 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 27.189 92.546 59.376 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 26.893 93.272 58.827 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 26.699 92.648 60.193 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 25.664 15.357 65.177 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 25.746 15.326 66.130 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 25.329 16.235 64.993 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 41.337 40.162 62.031 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 42.031 40.019 62.674 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 41.233 39.315 61.597 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 40.634 42.987 32.029 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 40.508 43.895 32.303 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 40.973 42.545 32.808 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 63.896 78.467 67.279 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 63.332 77.720 67.480 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 64.711 78.074 66.967 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 66.918 70.452 61.045 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 67.482 71.221 61.122 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 67.103 70.105 60.173 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 24.971 78.973 5.423 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 25.216 78.185 5.909 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 25.423 78.885 4.583 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 54.576 19.957 -8.188 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 54.750 19.306 -7.508 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 53.951 19.531 -8.774 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 63.364 68.182 31.765 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 62.484 67.814 31.690 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 63.859 67.766 31.059 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 28.586 7.428 48.929 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 29.071 7.336 48.109 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 28.623 8.364 49.126 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 56.228 86.355 -18.685 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 55.458 86.348 -19.253 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 56.945 86.063 -19.248 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 62.570 28.654 49.426 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 63.408 28.823 48.995 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 62.689 27.808 49.857 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 37.948 26.540 19.381 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 38.710 26.315 19.915 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 37.244 26.681 20.014 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 80.656 19.986 -0.855 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 81.355 19.465 -0.458 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 80.786 20.867 -0.506 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 75.699 43.266 31.429 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 74.802 42.933 31.414 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 75.624 44.172 31.129 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 44.746 34.062 -9.944 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 44.631 34.611 -9.168 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 44.332 34.556 -10.651 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 26.965 41.880 37.959 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 26.578 41.008 38.027 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 26.222 42.479 38.026 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 39.200 18.192 31.828 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 38.933 18.686 31.053 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 38.587 17.458 31.868 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 43.175 33.222 -16.075 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 43.678 34.019 -16.242 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 43.185 33.127 -15.123 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 43.960 18.468 35.310 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 44.537 18.330 34.559 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 44.132 19.369 35.583 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 61.211 49.885 0.078 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 60.825 50.208 -0.737 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 60.699 50.305 0.769 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 43.167 49.284 42.667 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 43.626 49.751 41.968 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 42.263 49.222 42.359 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 81.458 71.756 27.365 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 80.623 71.450 27.009 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 81.755 71.041 27.927 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 31.718 55.599 42.830 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 32.578 55.655 42.415 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 31.797 54.873 43.449 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 48.822 31.496 49.954 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 49.081 32.395 49.750 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 48.219 31.582 50.693 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 75.243 68.502 61.333 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 74.567 69.007 60.881 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 74.974 67.590 61.223 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 75.899 53.596 12.413 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 75.636 52.972 13.089 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 75.872 54.448 12.850 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 90.075 38.606 52.282 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 90.235 39.329 52.888 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 89.318 38.149 52.648 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 34.680 75.635 9.205 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 34.596 76.510 9.585 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 35.218 75.152 9.832 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 75.356 29.810 2.815 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 74.805 29.786 3.597 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 75.731 28.931 2.757 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 45.127 14.623 48.140 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 44.839 13.747 47.886 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 45.240 15.088 47.311 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 79.476 45.783 -9.996 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 78.925 45.762 -9.213 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 79.852 46.663 -10.001 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 53.831 34.182 36.027 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 53.215 34.752 36.486 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 54.368 34.779 35.506 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 66.738 39.868 64.659 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 66.491 40.705 64.266 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 67.521 39.598 64.179 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 74.008 69.287 11.924 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 73.938 68.782 12.734 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 73.457 68.816 11.299 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 81.665 79.577 13.471 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 81.784 80.432 13.884 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 82.555 79.264 13.307 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 25.171 47.594 52.218 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 25.780 48.312 52.044 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 25.549 46.843 51.761 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 67.519 16.445 -2.804 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 68.029 16.298 -3.600 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 66.771 15.854 -2.885 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 34.002 95.763 16.682 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 34.521 96.531 16.442 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 33.877 95.291 15.858 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 87.821 16.609 53.822 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 87.402 17.202 53.199 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 87.402 16.806 54.660 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 73.448 58.557 10.694 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 73.410 58.987 9.839 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 72.573 58.190 10.817 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 62.991 55.331 0.078 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 63.080 54.956 0.954 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 62.429 56.096 0.200 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 24.248 40.062 60.394 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 23.355 40.286 60.656 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 24.157 39.241 59.910 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 47.675 91.098 17.442 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 47.771 91.817 16.818 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 47.746 90.306 16.908 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 83.240 64.920 48.248 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 83.572 64.433 47.494 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 82.301 65.010 48.082 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 66.468 63.538 61.064 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 65.827 62.830 61.132 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 66.782 63.663 61.960 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 36.065 62.024 41.740 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 36.848 62.445 41.386 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 36.084 61.138 41.380 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 45.456 3.534 -7.324 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 44.548 3.712 -7.079 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 45.645 4.163 -8.020 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 33.243 64.545 60.655 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 33.682 64.624 59.808 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 33.937 64.289 61.262 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 48.529 40.219 35.831 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 47.906 40.481 35.153 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 49.252 39.816 35.349 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 25.308 14.301 -8.757 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 26.017 13.792 -9.149 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 25.008 14.877 -9.460 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 32.913 66.223 4.928 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 32.783 65.773 5.763 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 32.881 67.154 5.149 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 21.348 73.922 50.834 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 21.338 74.241 49.932 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 20.852 74.577 51.326 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 57.018 15.731 26.513 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 56.528 16.391 26.023 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 56.679 14.894 26.195 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 23.731 95.533 4.383 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 24.572 95.076 4.410 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 23.334 95.258 3.557 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 23.130 2.024 62.464 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 23.702 2.414 61.802 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 22.250 2.309 62.218 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 38.432 28.954 3.927 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 38.788 28.129 3.596 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 38.720 28.990 4.840 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 89.061 58.980 61.264 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 88.662 58.674 62.079 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 89.767 58.357 61.094 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 67.334 9.027 -20.231 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 66.513 8.797 -19.796 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 67.508 9.927 -19.954 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 64.714 46.863 31.118 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 64.472 46.104 30.587 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 64.006 47.492 30.973 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 84.973 75.585 46.368 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 84.033 75.694 46.221 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 85.269 76.442 46.675 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 79.075 61.926 63.867 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 78.145 61.713 63.946 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 79.468 61.590 64.673 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 77.192 62.952 33.119 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 77.572 62.283 33.689 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 76.531 62.485 32.608 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 78.508 63.999 54.506 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 79.342 64.011 54.975 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 78.009 63.295 54.921 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 44.653 63.385 4.324 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 44.357 62.796 5.018 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 45.340 63.912 4.733 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 60.892 90.445 -8.151 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 60.224 91.123 -8.052 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 60.543 89.860 -8.824 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 66.022 49.542 61.211 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 65.776 49.449 60.291 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 66.516 50.361 61.246 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 90.243 26.247 46.902 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 89.996 25.662 46.186 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 90.832 25.724 47.447 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 88.308 44.220 64.944 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 87.642 44.731 64.483 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 88.632 44.809 65.625 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 23.704 57.971 10.179 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 23.776 57.096 10.559 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 24.499 58.071 9.654 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 34.385 25.066 -15.045 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 34.708 25.959 -15.167 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 34.438 24.671 -15.915 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 62.750 82.580 60.938 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 61.829 82.353 60.814 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 62.946 83.188 60.225 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 90.678 63.890 -17.957 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 89.753 63.971 -17.725 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 90.998 63.164 -17.422 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 60.958 28.087 -14.233 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 60.991 29.037 -14.345 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 60.417 27.955 -13.455 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 47.128 29.535 39.847 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 47.741 30.154 40.243 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 47.159 29.732 38.911 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 39.066 17.577 35.585 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 39.998 17.640 35.376 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 38.657 18.272 35.070 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 63.210 17.193 27.237 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 62.622 16.860 27.915 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 63.507 18.040 27.571 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 73.769 34.768 15.719 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 73.168 35.412 16.094 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 74.641 35.105 15.927 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 77.829 45.730 -7.707 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 78.125 45.122 -7.029 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 76.873 45.679 -7.674 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 80.002 28.591 8.060 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 80.579 28.534 7.298 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 80.240 27.836 8.598 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 45.194 12.686 58.372 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 44.473 12.577 57.752 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 45.702 11.879 58.293 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 58.164 78.779 35.574 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 57.273 78.444 35.482 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 58.687 78.237 34.984 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 50.137 67.922 27.345 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 49.555 67.235 27.671 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 50.159 67.788 26.398 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 26.956 7.787 16.105 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 26.465 8.488 16.533 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 27.759 7.706 16.621 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 78.485 83.898 22.595 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 78.546 82.952 22.464 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 77.686 84.154 22.134 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 82.063 55.291 9.580 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 81.655 55.439 10.434 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 81.429 54.760 9.100 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 43.026 41.664 36.848 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 42.407 41.876 36.149 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 43.678 41.103 36.429 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 24.937 90.698 9.429 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 25.742 91.192 9.582 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 24.264 91.368 9.309 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 29.961 78.741 59.112 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 30.683 78.855 58.493 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 29.497 77.965 58.799 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 86.302 55.595 -1.814 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 86.431 55.288 -2.712 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 86.690 54.910 -1.269 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 65.274 33.679 62.411 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 65.252 32.831 61.966 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 65.813 34.232 61.846 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 39.434 2.221 33.064 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 40.112 2.707 32.594 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 39.862 1.405 33.326 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 36.817 4.921 6.866 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 36.307 4.910 7.676 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 36.241 5.340 6.226 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 32.286 50.399 60.323 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 32.331 51.352 60.237 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 31.394 50.228 60.625 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 24.859 42.153 52.078 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 24.876 42.568 52.941 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 24.210 41.455 52.160 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 34.786 37.853 5.286 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 35.162 37.514 6.098 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 34.839 38.804 5.374 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 76.698 60.005 -1.648 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 77.188 59.662 -0.900 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 76.466 59.230 -2.158 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 58.571 21.297 58.455 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 58.034 21.373 59.244 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 58.792 22.200 58.228 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 39.352 83.755 -10.209 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 39.627 82.897 -9.885 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 38.531 83.932 -9.751 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 59.642 21.670 10.490 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 59.926 22.579 10.387 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 59.270 21.437 9.640 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 47.543 4.454 62.903 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 47.269 4.311 63.809 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 48.485 4.280 62.907 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 82.075 84.580 42.059 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 81.641 85.398 41.817 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 82.643 84.380 41.315 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 86.512 24.355 49.132 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 86.700 23.604 49.695 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 87.314 24.877 49.152 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 22.990 29.420 7.332 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 23.721 29.622 7.916 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 22.261 29.221 7.920 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 29.108 66.072 8.666 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 29.269 65.477 9.398 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 28.493 66.718 9.012 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 86.162 31.606 34.140 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 85.997 30.703 33.868 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 86.906 31.543 34.740 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 71.272 57.110 12.388 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 71.410 57.117 13.335 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 70.745 56.326 12.228 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 25.025 12.950 31.061 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 25.457 12.532 30.316 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 24.104 13.001 30.806 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 79.569 35.687 34.764 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 78.886 35.026 34.873 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 80.112 35.602 35.548 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 56.182 44.119 31.945 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 55.432 43.574 31.707 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 56.569 44.375 31.108 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 60.935 69.877 -18.522 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 61.268 69.198 -19.108 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 60.702 69.410 -17.720 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 70.192 63.663 -15.907 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 70.096 62.995 -16.586 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 69.317 63.746 -15.527 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 24.149 2.158 39.630 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 23.347 2.567 39.955 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 24.602 2.858 39.160 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 43.494 26.157 58.021 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 43.736 25.873 58.903 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 43.230 27.071 58.128 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 72.368 69.419 57.234 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 73.248 69.049 57.157 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 71.811 68.814 56.744 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 83.429 55.473 61.172 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 82.579 55.818 61.444 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 83.974 56.249 61.047 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 80.037 5.206 56.360 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 79.367 5.247 55.676 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 80.430 6.079 56.363 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 57.428 42.055 55.162 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 57.011 41.645 54.404 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 56.800 42.717 55.452 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 25.797 41.135 58.345 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 25.266 40.780 57.632 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 25.513 40.650 59.120 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 24.368 82.003 0.472 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 23.448 81.744 0.511 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 24.637 81.801 -0.424 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 36.848 87.223 -7.138 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 36.044 87.394 -6.648 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 37.220 88.090 -7.300 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 35.212 15.138 40.051 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 34.414 14.827 40.478 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 35.035 15.043 39.115 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 88.090 70.627 -13.406 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 88.743 71.066 -12.860 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 87.302 70.602 -12.863 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 55.278 36.532 56.660 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 54.453 36.748 57.094 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 55.555 37.352 56.251 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 67.671 32.573 27.474 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 67.355 32.527 26.572 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 67.701 31.661 27.765 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 66.047 14.358 51.357 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 66.374 14.669 50.513 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 65.948 13.413 51.243 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 68.989 24.687 9.896 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 68.515 24.297 9.162 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 69.171 23.953 10.482 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 34.312 77.526 50.570 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 34.066 76.601 50.566 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 34.396 77.756 49.645 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 52.792 89.762 8.766 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 52.389 90.387 9.368 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 52.655 88.909 9.178 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 59.477 77.925 61.222 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 60.337 78.345 61.199 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 59.606 77.088 60.776 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 25.493 6.838 -5.353 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 25.312 7.271 -4.518 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 24.632 6.728 -5.757 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 53.850 92.486 60.594 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 54.434 92.595 59.842 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 53.462 91.620 60.472 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 48.601 83.253 -2.827 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 49.349 83.262 -3.423 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 48.627 84.107 -2.395 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 89.566 77.738 -17.362 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 89.904 78.456 -17.896 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 89.675 78.037 -16.459 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 24.456 21.053 -3.001 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 23.780 21.631 -3.354 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 24.419 21.190 -2.055 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 29.706 76.559 -9.181 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 30.655 76.683 -9.170 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 29.509 76.143 -8.342 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 20.176 12.582 -0.392 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 20.925 12.761 -0.961 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 19.921 11.685 -0.607 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 21.819 16.716 36.125 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 21.887 17.266 35.345 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 20.942 16.892 36.467 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 30.686 33.108 64.815 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 30.551 34.052 64.895 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 29.998 32.720 65.356 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 38.474 26.506 37.210 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 38.485 27.435 37.441 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 38.760 26.481 36.297 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 53.477 5.586 -11.429 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 53.313 4.713 -11.071 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 54.095 5.439 -12.145 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 30.913 35.921 27.793 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 30.018 35.656 27.582 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 31.465 35.276 27.351 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 25.044 1.461 30.743 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 24.144 1.192 30.929 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 25.201 2.196 31.334 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 37.460 25.959 8.673 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 37.828 26.562 8.027 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 37.092 26.527 9.350 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 90.365 94.879 61.394 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 89.916 94.941 60.551 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 90.579 95.785 61.618 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 36.154 23.674 11.393 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 36.817 24.122 11.918 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 35.529 23.334 12.033 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 57.526 60.101 51.624 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 57.678 59.208 51.317 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 56.599 60.262 51.444 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 58.027 87.579 25.015 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 58.389 87.049 25.725 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 57.284 87.071 24.690 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 37.926 81.504 50.483 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 38.583 81.841 51.092 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 37.114 81.939 50.742 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 78.522 36.170 26.132 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 78.616 37.049 26.499 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 79.309 36.046 25.602 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 68.686 67.021 61.159 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 69.038 66.773 62.014 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 69.187 67.798 60.909 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 71.522 62.294 36.900 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 72.291 61.723 36.911 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 71.546 62.711 36.038 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 27.935 25.802 -3.272 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 28.326 25.259 -3.956 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 28.383 26.644 -3.347 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 64.622 1.095 32.545 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 64.196 1.599 31.852 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 64.077 0.314 32.645 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 58.032 23.427 54.228 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 58.936 23.557 53.943 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 57.503 23.842 53.547 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 63.394 58.943 39.322 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 63.605 58.926 40.255 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 62.927 58.122 39.166 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 29.640 38.128 59.883 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 29.657 38.735 59.143 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 30.429 38.336 60.383 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 54.964 49.069 -16.960 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 55.666 48.424 -16.882 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 55.245 49.798 -16.407 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 30.134 93.552 59.778 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 29.449 93.007 59.390 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 29.769 93.838 60.615 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 78.791 16.102 49.149 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 78.964 16.521 48.306 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 77.953 15.656 49.029 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 49.333 6.702 56.686 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 48.680 7.390 56.821 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 49.036 5.978 57.237 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 39.777 10.739 0.121 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 40.187 10.641 -0.738 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 39.752 11.684 0.269 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 55.518 35.599 41.028 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 54.632 35.867 41.274 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 55.423 35.236 40.148 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 78.537 75.886 64.471 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 79.473 76.083 64.429 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 78.240 75.939 63.563 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 35.666 64.779 1.613 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 36.267 64.852 0.871 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 36.047 64.096 2.164 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 57.843 40.870 58.449 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 58.641 41.309 58.158 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 57.293 41.574 58.792 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 24.766 95.879 -7.628 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 25.488 95.758 -7.011 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 24.035 95.399 -7.239 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 85.867 46.315 43.523 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 85.797 45.453 43.114 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 85.720 46.151 44.455 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 67.980 60.282 -14.509 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 68.724 60.188 -15.105 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 68.156 59.656 -13.807 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 34.069 43.842 62.228 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 34.057 44.476 62.945 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 33.342 43.251 62.419 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 43.292 45.356 30.087 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 43.449 44.440 29.855 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 43.497 45.844 29.289 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 42.617 48.214 52.900 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 43.326 47.907 52.335 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 42.278 47.420 53.313 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 80.842 9.741 4.503 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 80.463 10.107 5.302 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 81.518 9.139 4.812 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 64.882 41.174 -1.831 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 64.657 41.041 -2.752 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 64.431 41.982 -1.588 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 85.298 45.433 46.728 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 84.356 45.414 46.900 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 85.701 45.316 47.588 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 82.069 40.724 -19.262 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 82.590 41.055 -18.530 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 81.240 40.456 -18.865 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 45.092 14.428 64.938 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 44.218 14.050 64.846 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 45.204 14.547 65.881 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 36.804 19.418 63.300 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 36.811 18.528 63.652 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 36.043 19.441 62.720 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 88.965 19.424 64.071 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 88.389 20.175 64.209 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 88.370 18.687 63.934 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 28.045 39.547 64.345 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 28.179 39.853 63.448 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 28.773 38.947 64.506 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 33.724 73.772 21.875 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 33.849 74.168 21.012 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 33.603 72.840 21.695 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 35.086 83.286 66.667 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 35.560 83.003 67.449 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 35.200 82.569 66.044 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 70.768 13.848 60.519 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 70.016 13.647 59.962 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 71.371 14.321 59.946 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 86.868 62.273 -14.734 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 86.305 61.577 -15.072 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 86.306 62.768 -14.138 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 76.151 51.368 28.794 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 76.213 51.938 28.027 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 75.485 50.722 28.560 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 85.599 15.456 -16.938 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 86.536 15.266 -16.881 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 85.520 16.363 -16.643 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 44.919 35.757 -3.786 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 45.176 35.566 -2.884 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 44.971 36.711 -3.853 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 71.662 34.365 -3.791 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 71.424 34.874 -4.566 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 71.004 34.601 -3.138 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 65.294 74.160 -16.362 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 65.911 74.081 -17.089 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 65.204 75.103 -16.224 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 57.239 6.765 65.018 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 56.864 6.194 65.688 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 58.011 6.294 64.706 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 37.666 53.745 30.483 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 37.878 52.848 30.224 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 37.328 54.151 29.686 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 33.968 53.526 25.294 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 34.198 53.440 24.369 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 34.745 53.912 25.699 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 57.813 20.046 -17.211 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 58.168 20.395 -16.394 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 57.138 20.675 -17.468 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 63.745 13.404 21.003 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 63.360 13.756 20.200 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 64.442 14.021 21.226 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 22.196 71.419 60.316 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 21.278 71.169 60.213 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 22.272 71.681 61.234 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 52.239 8.397 15.556 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 53.090 8.731 15.841 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 51.696 8.420 16.344 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 69.384 24.618 59.798 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 70.332 24.671 59.675 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 69.270 24.543 60.746 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 48.371 30.039 17.062 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 48.139 30.538 17.845 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 47.563 29.590 16.816 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 41.559 0.143 51.227 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 40.695 0.165 50.814 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 41.990 0.942 50.924 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 80.741 43.621 -6.770 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 80.400 44.382 -6.301 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 81.394 43.982 -7.370 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 38.459 34.803 9.794 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 38.350 35.139 8.904 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 38.023 35.449 10.349 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 82.606 26.166 -2.868 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 83.474 26.408 -2.546 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 82.054 26.920 -2.662 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 86.325 25.608 11.393 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 86.707 25.770 10.530 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 85.385 25.733 11.267 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 68.834 53.254 61.152 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 68.990 54.073 61.624 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 67.994 53.386 60.713 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 80.272 71.807 60.023 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 79.323 71.813 59.901 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 80.393 71.855 60.971 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 88.139 60.397 5.498 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 88.685 59.944 6.141 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 88.230 59.880 4.698 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 48.146 43.816 7.705 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 48.302 43.687 8.641 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 48.440 44.710 7.533 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 74.071 33.570 22.847 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 73.997 33.051 23.648 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 73.521 33.111 22.212 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 68.617 27.651 59.788 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 68.848 26.758 59.533 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 67.933 27.542 60.449 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 35.660 33.252 29.977 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 36.438 33.766 30.195 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 35.216 33.765 29.301 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 79.616 90.569 46.715 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 78.901 91.099 46.362 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 79.180 89.831 47.141 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 47.001 49.465 41.207 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 46.261 49.880 40.764 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 47.774 49.851 40.797 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 83.450 77.541 -11.150 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 83.248 76.970 -10.409 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 83.425 76.962 -11.913 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 51.803 61.367 67.314 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 51.744 61.281 66.363 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 51.141 62.021 67.538 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 46.569 8.863 1.437 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 45.627 8.894 1.603 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 46.968 9.059 2.285 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 84.413 24.277 40.587 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 85.105 24.924 40.720 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 83.679 24.599 41.110 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 75.119 92.723 -17.628 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 74.928 91.864 -18.005 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 76.073 92.794 -17.662 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 79.820 8.811 42.556 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 80.145 9.711 42.545 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 80.567 8.289 42.847 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 20.542 1.576 34.863 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 20.213 2.420 35.169 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 21.307 1.795 34.330 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 65.282 32.233 48.605 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 64.547 32.493 48.049 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 66.059 32.533 48.132 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 53.166 86.770 -5.552 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 52.545 86.067 -5.745 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 52.639 87.446 -5.126 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 65.258 57.269 19.075 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 65.166 57.611 18.186 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 64.445 56.789 19.233 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 30.043 40.803 49.886 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 29.124 40.662 50.112 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 30.465 39.962 50.060 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 40.821 59.726 43.263 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 40.437 60.271 42.576 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 41.747 59.970 43.272 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 89.961 19.491 50.633 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 89.537 19.024 49.913 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 90.890 19.495 50.403 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 89.217 25.357 50.179 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 89.908 24.972 49.641 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 89.107 24.743 50.905 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 52.410 14.097 27.235 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 53.048 14.808 27.274 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 52.500 13.741 26.351 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 53.100 2.437 38.557 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 53.853 3.026 38.617 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 53.485 1.563 38.489 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 83.568 45.052 64.870 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 83.189 44.868 65.729 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 83.618 46.007 64.829 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 22.514 38.890 37.820 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 22.599 38.744 36.878 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 22.256 39.808 37.899 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 53.734 70.186 -16.945 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 53.836 71.022 -17.400 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 52.788 70.049 -16.904 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 28.195 62.221 46.977 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 28.034 61.566 46.297 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 29.117 62.455 46.871 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 42.722 5.582 43.520 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 42.816 5.780 42.588 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 43.379 4.908 43.690 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 24.205 12.694 37.644 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 25.099 12.725 37.983 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 24.277 13.024 36.748 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 34.006 36.042 62.724 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 34.690 35.478 63.085 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 34.480 36.778 62.337 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 81.620 15.170 44.239 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 82.486 15.538 44.063 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 81.462 14.568 43.512 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 89.984 10.200 -14.716 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 89.098 10.411 -15.010 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 90.548 10.802 -15.202 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 64.733 82.273 -5.604 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 64.445 82.609 -6.453 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 65.159 81.440 -5.808 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 76.941 60.601 -15.405 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 76.488 61.416 -15.621 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 77.499 60.827 -14.661 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 25.695 30.331 -9.975 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 25.928 30.305 -10.903 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 25.167 29.544 -9.838 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 75.967 9.406 38.823 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 75.149 9.613 39.275 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 75.718 9.325 37.902 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 45.470 80.325 18.993 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 44.807 79.644 19.109 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 45.917 80.371 19.838 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 81.075 67.391 35.587 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 80.359 67.333 36.220 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 81.551 66.566 35.688 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 59.170 49.929 -12.687 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 59.618 49.111 -12.473 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 59.462 50.546 -12.016 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 61.892 32.900 31.265 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 62.152 33.809 31.114 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 61.168 32.753 30.656 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 89.829 80.737 49.100 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 90.370 80.522 49.860 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 90.457 80.873 48.390 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 78.759 27.611 39.651 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 78.616 27.737 38.714 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 79.607 27.171 39.707 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 78.513 29.369 -1.156 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 78.318 28.735 -0.466 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 78.317 30.220 -0.763 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 24.666 74.535 57.663 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 24.494 74.427 58.598 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 24.523 73.666 57.291 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 68.029 38.250 -13.892 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 68.880 38.459 -14.277 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 68.137 37.368 -13.535 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 54.326 17.456 20.443 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 53.731 17.930 21.024 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 54.263 17.918 19.607 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 34.788 2.323 5.271 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 35.650 2.075 4.939 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 34.173 1.799 4.758 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 21.854 82.334 46.864 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 22.667 82.715 46.533 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 21.913 82.431 47.815 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 21.630 29.702 60.726 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 21.030 28.957 60.760 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 21.458 30.186 61.533 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 23.941 40.111 35.658 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 23.905 40.531 34.798 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 23.504 40.729 36.245 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 20.825 30.949 -15.859 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 20.350 30.120 -15.803 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 21.060 31.029 -16.784 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 31.545 6.271 21.670 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 32.005 7.074 21.426 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 31.850 6.079 22.556 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 50.323 9.899 43.873 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 50.739 9.401 44.578 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 49.654 9.309 43.526 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 81.927 87.692 57.390 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 81.431 87.523 56.588 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 81.345 87.410 58.095 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 46.035 63.688 -0.687 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 46.950 63.454 -0.843 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 45.837 63.324 0.175 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 31.858 40.487 66.370 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 31.600 40.830 67.226 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 31.805 41.242 65.784 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 35.763 85.263 34.084 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 34.942 85.631 34.412 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 35.581 84.330 33.975 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 55.997 7.508 46.585 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 56.462 7.664 47.407 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 55.295 6.901 46.818 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 55.682 68.485 -17.179 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 54.988 69.130 -17.310 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 55.611 68.239 -16.257 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 83.671 69.968 20.063 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 83.528 69.942 21.009 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 82.866 69.611 19.689 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 68.824 5.771 44.157 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 69.250 5.002 44.537 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 69.528 6.237 43.706 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 63.147 21.167 57.820 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 62.391 20.608 57.641 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 63.831 20.840 57.236 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 56.602 72.168 -6.710 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 57.141 72.482 -5.983 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 55.734 72.534 -6.541 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 79.905 68.123 50.474 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 80.294 68.266 49.611 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 80.268 67.286 50.765 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 52.052 12.829 32.127 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 51.905 13.710 32.470 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 52.514 12.966 31.301 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 87.377 51.773 14.842 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 87.578 52.342 14.099 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 88.017 52.017 15.511 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 41.064 30.129 49.059 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 40.722 30.402 49.910 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 40.812 29.209 48.983 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 25.838 4.089 19.591 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 24.917 3.979 19.830 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 25.923 3.638 18.751 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 67.826 10.270 61.051 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 67.147 10.686 61.582 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 67.879 9.376 61.388 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 85.427 74.084 -13.043 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 85.833 74.117 -12.177 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 85.692 73.236 -13.400 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 45.774 18.133 3.425 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 46.476 17.486 3.494 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 46.227 18.967 3.299 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 53.691 27.123 39.504 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 53.534 26.216 39.766 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 54.594 27.297 39.770 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 60.414 39.039 57.112 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 60.811 38.552 56.390 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 59.475 39.014 56.931 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 30.763 44.694 57.590 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 30.927 45.583 57.904 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 31.629 44.354 57.367 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 67.613 31.810 7.516 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 67.676 32.398 8.269 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 66.704 31.510 7.522 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 35.833 14.173 57.874 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 35.216 13.450 57.757 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 36.205 14.314 57.004 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 87.777 29.808 30.318 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 87.214 30.454 29.891 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 88.666 30.067 30.077 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 56.350 39.272 -13.196 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 56.623 39.536 -12.317 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 55.401 39.164 -13.130 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 39.710 26.313 -14.383 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 39.044 25.756 -13.980 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 39.251 27.127 -14.587 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 24.933 45.156 44.215 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 24.274 45.716 44.624 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 25.120 45.579 43.376 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 22.380 85.747 29.845 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 23.210 85.719 30.322 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 21.795 85.180 30.348 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 24.572 70.890 41.895 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 25.494 71.142 41.950 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 24.409 70.398 42.700 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 74.346 14.352 9.801 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 75.046 14.875 10.190 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 73.692 14.993 9.523 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 63.724 38.176 -18.134 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 63.824 39.119 -18.262 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 62.861 38.079 -17.731 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 36.476 33.820 18.171 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 36.930 34.663 18.148 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 37.013 33.243 17.629 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 21.202 95.882 49.146 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 21.577 96.642 48.700 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 21.960 95.371 49.429 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 22.338 69.246 43.563 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 23.173 69.339 44.021 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 21.887 70.076 43.717 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 66.281 11.868 34.914 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 66.010 12.776 35.050 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 65.480 11.358 35.040 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 78.574 0.644 -8.935 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 78.694 1.502 -8.530 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 77.953 0.799 -9.647 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 31.426 23.105 -0.461 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 31.636 23.244 -1.384 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 32.268 22.902 -0.052 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 38.372 22.385 46.926 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 38.642 21.985 46.099 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 38.582 23.314 46.822 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 40.026 8.017 36.155 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 40.012 8.967 36.272 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 40.433 7.683 36.955 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 68.672 60.043 61.304 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 69.081 59.628 60.545 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 68.169 60.771 60.937 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 60.284 63.738 58.101 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 59.830 63.358 57.349 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 59.615 63.792 58.783 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 77.479 23.138 51.857 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 77.906 23.859 52.319 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 77.493 23.402 50.937 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 25.049 57.487 -17.667 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 25.377 58.005 -18.402 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 24.189 57.862 -17.475 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 67.292 36.861 15.924 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 66.691 36.117 15.893 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 66.827 37.564 15.469 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 53.154 65.446 39.584 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 53.973 65.395 39.092 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 52.495 65.087 38.990 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 88.525 24.702 -16.884 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 88.994 25.439 -16.492 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 88.790 24.710 -17.804 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 56.491 45.958 52.508 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 56.810 45.301 51.890 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 55.595 46.139 52.224 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 41.345 94.634 -19.426 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 41.340 94.788 -18.481 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 40.899 93.794 -19.535 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 61.661 16.759 50.658 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 61.233 16.634 49.811 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 61.994 15.891 50.889 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 81.732 39.536 55.055 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 81.717 39.561 56.012 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 80.926 39.981 54.790 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 90.232 50.049 -5.719 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 89.292 50.063 -5.541 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 90.406 50.879 -6.161 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 69.235 27.309 -3.585 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 69.016 26.378 -3.615 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 68.419 27.740 -3.331 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 25.286 65.621 36.472 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 25.379 66.571 36.402 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 26.050 65.271 36.013 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 58.444 31.301 57.859 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 58.541 32.225 57.630 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 58.727 31.249 58.772 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 33.392 67.906 41.492 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 33.935 67.903 40.704 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 33.936 67.489 42.160 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 50.044 52.525 65.366 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 49.116 52.745 65.441 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 50.052 51.616 65.063 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 47.492 52.998 6.896 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 47.860 53.738 7.380 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 47.835 53.097 6.008 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 34.446 37.483 21.765 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 34.514 38.176 22.422 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 35.338 37.374 21.437 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 90.548 25.959 13.341 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 90.510 26.003 14.296 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 89.894 25.301 13.104 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 42.195 34.087 66.561 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 41.555 33.864 67.236 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 41.775 33.834 65.739 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 58.360 67.283 64.214 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 57.607 66.876 63.786 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 58.351 68.189 63.905 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 58.357 35.219 61.100 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 58.182 36.130 60.864 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 59.168 35.254 61.607 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 77.966 35.064 61.246 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 77.858 35.120 62.195 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 77.072 35.062 60.903 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 34.541 13.271 -18.061 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 35.498 13.300 -18.069 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 34.272 14.159 -18.298 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 65.161 61.154 60.977 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 64.696 60.999 60.155 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 64.506 61.550 61.552 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 25.786 63.567 23.570 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 26.500 63.167 23.073 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 25.676 64.433 23.177 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 37.179 72.553 66.936 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 36.352 72.773 66.507 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 37.749 73.301 66.757 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 24.415 24.434 11.136 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 25.061 25.102 11.366 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 24.860 23.881 10.494 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 83.405 42.943 47.963 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 83.621 43.284 47.094 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 84.016 42.218 48.095 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 32.586 27.088 65.921 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 32.702 26.231 66.331 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 32.963 26.989 65.047 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 33.482 84.322 -18.466 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 32.874 84.997 -18.767 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 33.872 83.975 -19.269 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 25.173 88.078 59.632 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 25.213 88.552 60.463 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 24.555 88.579 59.100 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 74.888 60.002 6.684 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 75.605 60.286 7.251 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 74.161 59.833 7.284 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 32.260 74.433 25.929 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 31.604 74.873 25.388 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 32.369 73.574 25.522 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 65.129 69.620 66.057 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 64.446 70.270 65.891 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 65.519 69.457 65.198 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 57.646 2.474 40.896 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 57.184 1.884 40.301 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 58.099 3.090 40.319 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 65.052 6.814 45.051 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 64.742 6.268 44.328 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 64.846 6.310 45.838 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 75.312 60.542 47.100 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 75.559 60.507 48.024 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 75.114 61.465 46.940 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 30.197 72.624 41.104 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 30.342 73.266 40.409 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 29.520 72.042 40.756 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 42.788 19.950 63.732 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 42.582 20.698 63.172 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 41.949 19.509 63.863 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 71.169 66.477 6.883 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 71.890 65.881 6.678 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 70.734 66.623 6.043 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 28.728 9.721 34.885 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 28.563 8.807 34.656 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 28.490 9.784 35.810 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 73.496 30.685 53.389 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 74.412 30.934 53.264 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 73.080 30.867 52.546 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 26.489 65.868 16.308 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 25.831 65.222 16.566 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 27.269 65.630 16.810 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 81.307 78.870 66.992 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 80.394 78.844 67.278 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 81.715 79.531 67.551 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 41.126 86.328 -3.043 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 40.554 87.094 -3.071 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 41.908 86.594 -3.528 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 88.702 78.387 10.761 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 88.097 77.648 10.684 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 88.201 79.061 11.219 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 80.037 37.150 -18.177 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 80.148 38.096 -18.081 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 80.185 36.984 -19.108 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 56.459 32.011 33.724 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 55.699 31.779 34.257 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 56.186 32.793 33.244 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 50.548 60.441 61.705 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 50.755 60.316 62.632 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 49.699 60.015 61.589 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 35.189 68.092 -18.247 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 34.774 67.416 -18.784 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 35.539 67.618 -17.493 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 36.670 44.079 -13.962 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 36.738 44.396 -13.062 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 35.793 44.339 -14.243 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 55.157 18.250 58.709 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 54.899 18.815 57.982 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 56.113 18.307 58.730 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 89.012 42.805 35.440 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 88.433 42.051 35.558 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 88.646 43.273 34.689 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 47.860 94.473 59.062 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 48.462 94.512 59.806 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 48.074 93.650 58.623 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 23.338 38.140 29.542 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 24.071 37.539 29.411 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 23.170 38.507 28.674 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 53.366 55.554 0.323 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 53.573 55.635 1.254 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 52.800 56.303 0.137 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 60.044 17.233 64.116 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 59.934 16.416 63.629 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 59.663 17.052 64.975 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 63.135 42.183 59.290 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 63.584 42.030 58.459 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 63.781 41.956 59.958 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 24.782 84.109 23.857 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 24.657 84.128 24.806 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 25.317 84.880 23.670 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 75.167 70.331 -0.127 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 75.927 69.783 0.069 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 74.552 70.153 0.585 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 89.178 79.201 34.097 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 88.428 79.469 33.567 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 89.663 78.594 33.537 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 39.872 41.248 51.388 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 39.246 41.354 50.671 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 39.972 40.300 51.480 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 90.031 71.059 60.532 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 89.254 70.529 60.356 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 89.700 71.955 60.601 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 47.452 39.483 -0.215 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 48.398 39.377 -0.113 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 47.151 39.786 0.641 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 85.117 50.051 65.789 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 84.339 50.534 66.068 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 85.594 50.666 65.232 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 50.196 22.846 52.492 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 49.813 23.719 52.582 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 49.558 22.355 51.975 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 66.897 84.089 3.371 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 66.993 83.859 2.447 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 66.652 83.268 3.798 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 58.021 32.481 9.507 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 58.979 32.478 9.500 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 57.786 33.369 9.775 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 86.184 28.442 3.874 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 87.084 28.764 3.816 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 86.270 27.548 4.204 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 45.990 46.747 57.310 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 45.235 46.832 57.893 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 45.732 47.213 56.515 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 66.576 86.984 63.236 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 67.358 86.755 62.733 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 65.966 86.265 63.073 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 50.147 80.596 -15.683 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 49.321 81.047 -15.507 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 50.213 79.938 -14.991 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 24.849 27.329 25.055 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 25.669 27.391 25.546 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 24.621 26.400 25.085 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 57.219 8.677 2.631 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 57.328 8.653 3.582 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 58.003 9.124 2.311 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 37.960 49.916 -3.087 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 37.831 49.263 -3.775 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 38.415 49.443 -2.390 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 57.304 93.932 17.774 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 58.061 94.448 18.049 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 57.634 93.035 17.712 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 55.007 90.268 -8.360 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 55.479 90.805 -7.724 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 54.386 89.763 -7.834 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 28.826 95.203 29.929 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 29.140 96.006 30.345 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 27.990 95.449 29.533 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 86.921 94.321 58.813 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 87.044 93.814 59.616 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 86.217 94.934 59.022 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 48.863 10.554 -9.914 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 48.552 10.976 -9.114 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 48.067 10.252 -10.352 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 38.280 49.588 17.576 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 38.581 50.460 17.322 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 39.080 49.066 17.635 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 81.029 52.265 41.624 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 80.150 52.408 41.274 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 81.449 51.685 40.989 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 38.952 82.145 53.546 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 38.701 82.539 54.381 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 39.514 82.799 53.130 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 70.607 71.977 30.161 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 70.988 71.677 30.986 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 69.663 71.884 30.285 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 68.111 6.094 26.385 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 68.115 5.550 25.597 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 68.881 5.808 26.877 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 79.941 89.667 -6.903 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 79.439 88.980 -6.465 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 79.303 90.361 -7.071 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 77.163 73.250 49.949 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 77.426 73.621 50.791 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 76.488 72.608 50.169 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 32.400 93.325 -5.824 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 32.704 93.138 -6.712 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 32.264 92.464 -5.430 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 68.540 96.725 -12.483 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 67.865 97.083 -11.905 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 68.543 95.786 -12.296 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 20.050 43.691 47.155 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 19.862 44.617 47.310 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 20.899 43.545 47.572 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 22.286 50.642 3.343 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 21.349 50.459 3.414 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 22.503 50.433 2.435 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 55.415 41.941 -0.530 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 56.133 42.572 -0.577 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 55.463 41.589 0.359 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 59.029 79.648 63.548 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 58.295 79.195 63.963 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 59.279 79.081 62.819 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 56.580 26.439 39.462 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 57.231 27.104 39.686 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 56.595 26.401 38.506 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 57.212 88.976 57.995 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 58.034 88.855 58.470 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 57.478 89.294 57.132 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 35.003 10.279 -8.903 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 34.063 10.411 -8.780 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 35.088 9.995 -9.813 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 46.103 18.456 -16.348 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 46.996 18.336 -16.025 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 46.197 19.041 -17.100 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 29.858 68.290 62.098 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 30.178 68.523 61.227 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 30.570 67.784 62.489 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 75.227 15.177 -2.834 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 74.968 14.255 -2.835 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 74.920 15.512 -1.992 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 43.370 33.702 -4.601 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 43.273 33.065 -3.893 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 43.732 34.479 -4.176 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 24.488 46.630 -13.152 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 24.549 47.577 -13.024 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 24.084 46.305 -12.347 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 31.942 53.778 65.294 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 32.539 54.518 65.408 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 31.177 54.153 64.858 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 82.893 66.557 61.513 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 83.452 65.808 61.307 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 82.145 66.468 60.923 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 29.262 45.574 -5.339 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 29.545 45.817 -4.457 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 28.785 46.340 -5.657 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 48.894 5.066 -20.013 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 49.739 5.506 -20.095 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 48.658 5.168 -19.091 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 40.411 84.736 39.343 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 41.139 84.129 39.212 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 40.563 85.435 38.707 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 74.711 48.419 33.628 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 74.283 49.228 33.910 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 74.083 48.010 33.033 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 73.786 62.089 24.807 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 73.267 61.937 25.597 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 74.433 61.384 24.806 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 36.416 26.310 54.250 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 36.374 27.243 54.045 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 37.350 26.127 54.347 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 87.932 4.643 38.839 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 87.992 4.023 38.112 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 88.696 4.450 39.383 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 57.269 31.148 49.074 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 56.383 30.952 48.772 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 57.215 32.041 49.415 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 48.891 75.194 66.602 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 48.832 75.032 65.661 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 48.834 74.325 66.999 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 62.822 4.067 -15.826 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 62.780 4.687 -15.098 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 63.057 3.234 -15.418 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 89.415 64.745 47.530 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 89.342 64.887 46.586 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 89.717 63.841 47.615 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 70.842 88.119 58.324 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 70.105 88.637 58.001 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 70.602 87.213 58.127 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 86.300 2.292 -9.951 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 86.593 1.566 -9.401 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 85.385 2.427 -9.703 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 63.788 95.410 -0.494 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 64.267 95.292 -1.315 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 64.252 96.117 -0.046 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 84.372 84.874 27.217 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 83.872 84.209 27.689 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 84.137 84.745 26.298 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 65.904 14.296 8.164 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 66.354 13.531 8.522 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 66.540 14.693 7.569 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 38.213 26.319 33.425 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 38.108 26.404 32.478 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 39.104 25.986 33.538 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 47.735 9.172 3.830 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 47.930 8.535 4.517 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 48.539 9.684 3.744 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 70.632 33.585 58.086 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 69.721 33.782 57.865 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 70.917 32.975 57.406 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 62.399 23.775 51.490 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 62.093 24.011 50.615 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 62.926 22.987 51.355 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 31.390 68.167 12.055 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 31.693 67.314 12.365 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 31.921 68.801 12.537 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 47.658 17.291 -9.882 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 47.428 17.291 -10.811 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 46.872 17.612 -9.440 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 86.299 88.982 28.950 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 86.349 88.030 28.869 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 87.144 89.236 29.321 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 89.961 9.669 41.347 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 90.668 9.086 41.070 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 89.460 9.154 41.980 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 77.008 7.726 6.071 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 77.312 8.438 6.634 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 77.582 6.990 6.284 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 45.403 42.005 -12.907 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 44.989 42.555 -12.242 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 46.043 42.578 -13.329 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 86.707 4.631 -5.853 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 86.505 5.040 -6.694 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 86.285 5.194 -5.204 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 22.886 48.375 62.689 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 22.052 47.938 62.518 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 22.882 49.135 62.107 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 38.519 82.561 24.525 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 38.271 81.663 24.745 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 39.197 82.467 23.857 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 88.953 9.082 38.023 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 89.141 9.611 38.798 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 89.738 8.548 37.901 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 68.124 2.222 23.286 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 67.730 1.880 22.484 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 68.584 1.474 23.666 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 65.459 77.374 36.960 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 64.642 77.119 36.531 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 65.612 78.273 36.667 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 23.692 2.008 -11.796 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 24.109 1.393 -12.398 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 22.763 1.775 -11.821 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 42.639 0.966 -12.700 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 42.434 1.830 -13.058 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 42.178 0.939 -11.861 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 88.904 52.009 32.034 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 88.503 51.243 32.445 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 88.198 52.655 31.990 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 37.981 22.607 -14.932 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 37.562 23.449 -14.754 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 37.853 22.101 -14.129 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 53.609 61.793 63.773 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 52.697 61.717 64.053 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 53.865 60.900 63.542 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 32.417 56.710 49.400 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 33.301 56.660 49.761 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 31.990 57.403 49.903 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 78.210 20.993 40.584 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 78.660 20.728 39.782 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 78.785 20.699 41.290 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 36.515 19.295 -19.169 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 36.870 19.162 -18.290 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 36.958 18.639 -19.708 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 25.024 85.108 59.602 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 25.125 85.184 60.551 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 24.716 85.971 59.324 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 57.368 29.960 0.718 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 57.501 29.134 1.182 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 57.164 30.592 1.407 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 29.363 28.724 53.861 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 28.452 28.666 54.150 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 29.518 29.662 53.746 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 89.428 19.904 58.977 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 89.209 19.987 58.049 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 90.346 19.634 58.984 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 66.948 93.380 -19.816 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 66.381 93.484 -19.052 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 67.194 94.274 -20.055 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 35.868 44.889 19.613 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 36.784 45.165 19.627 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 35.817 44.192 20.268 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 37.034 84.708 55.810 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 37.414 85.196 56.540 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 36.566 83.983 56.224 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 90.744 79.492 23.723 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 90.792 78.553 23.545 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 89.806 79.683 23.755 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 33.356 65.188 48.069 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 33.631 66.105 48.079 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 33.954 64.764 47.454 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 44.523 49.723 -7.469 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 43.702 49.380 -7.117 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 45.013 50.010 -6.698 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 89.059 11.832 57.798 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 88.369 12.471 57.616 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 89.796 12.357 58.110 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 33.687 11.046 39.000 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 33.889 11.368 38.121 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 33.473 11.833 39.501 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 68.921 79.417 25.199 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 69.209 78.641 24.719 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 68.214 79.781 24.666 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 77.078 23.390 48.875 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 77.703 22.665 48.895 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 76.396 23.102 48.268 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 41.100 55.859 -9.063 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 40.886 55.561 -8.179 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 41.752 55.232 -9.376 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 38.538 33.060 50.815 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 38.147 32.284 50.414 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 39.426 32.790 51.046 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 43.723 34.983 -7.789 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 42.926 35.446 -8.048 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 43.610 34.813 -6.854 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 37.707 25.173 39.741 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 38.246 25.862 39.353 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 37.618 25.425 40.660 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 53.331 4.378 32.554 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 53.800 5.188 32.355 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 52.421 4.565 32.323 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 76.600 37.473 45.856 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 76.604 38.036 45.082 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 77.524 37.367 46.080 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 30.059 71.939 43.776 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 30.919 71.688 44.112 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 30.214 72.155 42.856 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 76.004 95.342 55.644 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 75.772 95.821 56.439 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 75.709 95.906 54.929 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 54.697 34.951 10.185 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 54.091 34.266 10.468 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 54.737 35.557 10.925 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 35.098 81.416 -9.011 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 35.700 81.343 -8.270 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 34.866 82.344 -9.040 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 81.297 54.073 65.216 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 80.341 54.121 65.209 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 81.491 53.146 65.078 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 43.644 53.158 45.648 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 44.159 52.699 46.312 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 44.034 52.892 44.815 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 65.395 28.027 45.083 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 65.254 28.898 44.711 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 64.535 27.608 45.048 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 90.653 47.327 61.162 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 91.401 46.988 60.670 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 90.008 46.620 61.135 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 24.754 93.764 11.499 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 24.982 92.937 11.923 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 24.110 93.524 10.832 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 41.617 17.023 34.254 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 42.024 17.416 35.026 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 41.458 17.760 33.665 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 46.952 63.269 16.072 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 47.058 63.196 17.021 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 47.639 62.708 15.711 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 56.874 60.023 36.460 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 56.178 60.174 37.100 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 56.412 59.871 35.636 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 55.638 87.684 -1.282 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 56.509 87.314 -1.429 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 55.118 87.379 -2.025 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 50.530 29.889 -10.731 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 51.307 30.395 -10.494 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 50.461 29.986 -11.680 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 63.868 47.544 -10.895 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 63.441 47.974 -11.636 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 63.538 46.646 -10.917 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 55.571 37.657 60.311 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 54.625 37.742 60.430 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 55.723 37.919 59.403 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 30.007 41.442 3.810 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 29.087 41.472 3.547 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 30.486 41.758 3.043 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 58.326 64.200 46.931 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 58.319 64.379 45.991 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 57.899 63.348 47.016 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 40.279 42.818 59.086 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 39.677 42.395 58.473 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 39.763 43.518 59.485 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 23.537 22.319 60.981 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 24.093 22.896 61.506 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 23.970 22.278 60.129 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 50.598 81.842 31.535 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 50.214 82.095 32.374 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 50.887 80.939 31.666 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 70.316 31.956 53.450 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 69.763 31.912 52.670 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 70.777 32.792 53.371 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 59.888 48.348 58.140 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 60.503 48.811 57.571 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 59.744 48.944 58.874 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 38.658 56.698 -16.368 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 39.243 56.151 -16.892 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 39.040 57.574 -16.418 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 49.389 90.209 20.191 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 49.229 90.362 19.260 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 49.028 89.337 20.356 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 24.962 69.413 50.052 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 24.746 68.791 49.357 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 25.201 70.217 49.590 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 42.775 86.380 30.640 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 43.402 85.815 31.092 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 43.000 86.295 29.713 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 23.077 6.574 49.413 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 23.893 6.935 49.066 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 23.142 6.701 50.360 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 63.734 93.147 4.008 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 63.084 93.839 4.131 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 63.236 92.333 4.083 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 84.313 78.898 63.368 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 84.795 78.712 64.173 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 83.393 78.903 63.635 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 21.987 40.852 61.641 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 21.681 40.652 62.526 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 22.286 41.760 61.690 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 81.158 3.798 58.445 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 80.596 4.181 57.771 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 81.535 4.552 58.900 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 81.248 68.307 48.083 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 80.452 68.375 47.557 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 81.449 67.371 48.094 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 36.059 37.529 30.881 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 35.397 38.065 31.316 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 35.868 37.622 29.948 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 54.646 74.110 41.488 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 54.038 74.610 40.943 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 54.412 73.195 41.332 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 30.672 86.959 51.633 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 30.634 86.258 50.983 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 30.559 86.514 52.473 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 43.494 77.450 -17.042 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 44.282 76.944 -17.240 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 43.219 77.807 -17.886 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 23.897 18.903 -5.168 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 24.506 18.231 -4.862 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 24.084 19.665 -4.620 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 67.185 76.313 -0.687 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 67.487 75.459 -0.379 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 66.772 76.713 0.079 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 54.934 47.439 37.379 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 55.537 47.787 36.721 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 54.063 47.657 37.045 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 76.319 34.923 23.687 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 75.794 34.392 23.089 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 76.611 35.664 23.157 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 42.250 45.261 45.988 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 42.376 45.592 45.099 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 43.129 45.246 46.366 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 34.405 54.291 50.509 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 35.348 54.297 50.675 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 34.008 54.386 51.375 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 48.528 56.685 45.186 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 49.277 56.333 45.668 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 48.510 57.614 45.416 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 23.473 76.173 39.290 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 23.170 75.416 38.789 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 24.426 76.080 39.314 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 35.662 46.710 -13.853 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 36.509 46.902 -14.257 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 35.240 47.564 -13.764 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 26.850 88.229 14.698 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 26.153 88.093 14.056 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 27.053 87.351 15.022 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 43.842 79.798 61.591 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 43.264 80.432 62.016 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 43.574 79.809 60.672 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 40.200 45.438 62.009 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 41.048 45.771 61.716 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 39.672 45.391 61.211 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 51.409 26.832 49.098 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 50.905 26.037 49.274 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 50.874 27.540 49.458 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 29.492 44.050 -10.233 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 30.356 44.349 -9.949 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 28.879 44.512 -9.661 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 33.329 22.503 -19.612 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 33.081 22.330 -18.704 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 33.844 21.738 -19.870 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 42.794 2.379 -18.208 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 43.479 1.911 -17.730 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 42.959 2.171 -19.128 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 74.965 55.800 -18.386 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 75.774 56.261 -18.164 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 74.562 55.603 -17.540 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 47.636 34.628 4.246 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 47.530 35.257 4.960 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 48.578 34.617 4.075 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 40.865 53.157 -11.466 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 41.518 53.836 -11.297 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 40.026 53.616 -11.432 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 28.961 48.747 18.540 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 29.771 48.284 18.756 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 28.995 48.859 17.590 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 72.237 15.460 55.114 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 72.989 14.873 55.199 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 71.692 15.055 54.439 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 79.873 81.657 10.391 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 79.697 81.039 9.682 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 80.826 81.749 10.397 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 59.100 92.032 33.959 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 58.798 92.749 33.402 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 58.562 91.284 33.701 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 81.247 58.668 -12.878 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 80.996 59.591 -12.910 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 80.551 58.248 -12.372 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 44.425 51.578 33.740 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 44.945 50.937 33.254 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 44.046 52.141 33.065 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 36.469 60.164 32.850 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 37.146 60.435 32.230 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 36.955 59.853 33.614 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 50.031 28.303 -4.783 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 49.845 29.126 -4.331 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 49.375 27.692 -4.449 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 82.020 46.152 27.601 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 81.945 47.076 27.362 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 82.963 45.993 27.652 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 50.928 50.972 26.027 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 50.712 50.415 25.280 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 50.798 50.411 26.791 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 40.377 17.330 58.066 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 41.256 17.593 58.338 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 39.931 17.100 58.881 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 34.986 57.086 55.952 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 35.232 57.999 56.104 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 35.679 56.741 55.390 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 43.169 14.150 40.475 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 43.330 13.580 39.722 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 42.413 14.678 40.219 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 85.971 2.582 51.718 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 85.760 1.817 51.182 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 85.131 2.853 52.090 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 71.840 66.095 47.437 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 72.013 65.246 47.844 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 71.560 65.881 46.547 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 36.516 2.820 54.106 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 36.206 3.689 53.854 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 36.116 2.661 54.962 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 57.604 47.303 -17.842 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 58.030 47.466 -18.683 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 58.130 47.792 -17.208 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 28.873 80.306 18.931 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 29.234 81.103 19.320 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 28.254 79.979 19.584 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 41.649 84.029 18.146 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 41.174 83.210 18.286 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 42.329 83.807 17.511 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 46.521 41.157 -2.212 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 46.588 40.405 -1.624 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 47.249 41.725 -1.959 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 44.191 43.862 -11.524 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 43.267 43.698 -11.716 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 44.370 44.715 -11.918 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 22.245 42.791 25.267 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 21.872 43.630 25.539 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 22.302 42.281 26.075 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 61.947 9.301 56.730 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 61.303 8.812 56.219 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 61.981 8.846 57.572 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 85.139 47.802 32.494 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 84.677 48.294 31.816 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 84.618 47.936 33.286 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 40.172 18.024 43.064 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 39.702 17.226 43.306 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 39.484 18.645 42.823 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 48.768 28.772 60.181 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 47.966 28.960 59.695 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 49.450 29.259 59.718 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 57.268 61.355 53.966 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 57.472 60.667 54.600 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 57.432 60.953 53.113 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 84.713 49.417 62.113 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 84.420 50.327 62.166 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 85.615 49.473 61.800 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 61.547 47.565 40.510 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 61.802 48.355 40.033 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 62.365 47.233 40.880 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 35.218 92.251 13.068 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 35.493 91.558 13.667 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 36.030 92.700 12.832 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 83.096 48.848 46.250 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 82.346 48.884 45.656 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 83.835 48.610 45.689 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 63.875 55.938 2.862 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 64.504 56.405 2.313 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 64.409 55.337 3.381 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 41.568 68.107 62.384 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 40.764 68.578 62.167 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 41.823 68.448 63.241 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 53.498 18.184 63.019 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 53.781 17.520 62.390 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 52.694 18.542 62.644 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 66.085 16.331 -10.211 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 65.957 15.907 -9.362 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 65.201 16.427 -10.567 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 83.461 20.067 8.041 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 84.247 20.221 8.566 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 83.214 20.933 7.719 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 42.580 93.376 39.934 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 42.986 92.553 39.660 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 41.923 93.116 40.580 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 68.451 88.956 15.054 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 69.050 89.699 15.132 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 67.735 89.160 15.655 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 73.400 71.938 13.194 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 73.331 71.001 13.374 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 72.498 72.222 13.048 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 32.892 8.200 60.403 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 32.542 8.894 60.962 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 32.118 7.780 60.028 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 31.181 80.294 48.170 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 31.080 79.534 48.744 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 31.949 80.752 48.513 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 28.375 4.264 40.025 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 28.300 4.504 40.949 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 29.273 3.947 39.932 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 90.131 66.551 18.448 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 90.042 66.532 17.495 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 90.792 65.886 18.641 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 89.585 51.002 22.287 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 90.212 51.440 21.712 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 88.795 51.540 22.234 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 40.038 78.692 46.836 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 40.384 78.103 46.165 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 39.823 79.495 46.362 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 88.953 13.809 66.940 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 89.581 14.388 67.372 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 89.015 12.985 67.424 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 86.390 65.575 35.645 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 87.062 65.223 35.061 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 85.832 64.825 35.850 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 22.061 17.378 10.381 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 22.595 16.659 10.719 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 21.589 16.998 9.640 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 36.188 51.902 -18.798 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 36.051 52.456 -19.566 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 35.408 52.039 -18.260 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 63.739 24.400 23.061 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 63.738 23.450 22.939 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 63.235 24.737 22.320 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 71.815 78.268 8.801 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 71.193 78.906 9.152 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 72.637 78.753 8.721 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 29.120 79.854 -10.169 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 28.562 80.197 -9.471 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 29.635 80.608 -10.458 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 46.019 11.803 18.712 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 45.642 12.295 17.983 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 45.857 12.351 19.480 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 78.994 47.805 5.624 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 78.442 48.153 6.324 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 79.267 48.577 5.128 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 51.139 36.455 13.816 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 50.729 37.025 14.467 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 51.054 35.574 14.182 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 43.880 85.176 -5.378 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 43.454 84.642 -6.049 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 44.497 84.579 -4.953 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 60.923 41.653 23.110 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 61.354 42.166 22.427 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 60.039 42.017 23.162 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 73.726 90.442 -1.105 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 73.566 91.382 -1.190 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 73.028 90.033 -1.616 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 31.730 66.339 27.551 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 31.981 67.247 27.383 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 32.545 65.844 27.466 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 52.714 37.231 61.004 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 52.705 36.353 61.383 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 52.336 37.790 61.683 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 24.834 33.296 19.458 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 25.256 33.707 18.703 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 25.350 33.588 20.209 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 43.070 5.777 49.623 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 42.734 6.611 49.296 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 42.299 5.214 49.686 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 35.464 21.960 37.398 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 36.176 21.566 36.895 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 34.781 22.137 36.751 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 62.956 82.129 -17.116 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 62.180 82.666 -17.274 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 63.693 82.723 -17.258 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 42.762 24.683 0.781 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 43.606 25.118 0.657 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 42.196 25.063 0.108 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 41.680 38.024 1.270 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 41.897 37.390 1.953 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 41.556 38.849 1.740 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 21.076 86.685 -13.094 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 21.487 87.549 -13.104 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 21.810 86.070 -13.107 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 31.177 1.628 54.802 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 30.978 2.474 54.401 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 32.049 1.740 55.179 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 70.966 38.354 63.125 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 71.190 39.284 63.099 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 70.042 38.337 63.372 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 31.359 42.675 48.724 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 30.788 42.089 49.221 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 30.860 42.884 47.934 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 70.020 4.620 40.941 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 69.711 3.789 40.579 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 69.234 5.162 41.002 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 54.100 95.904 62.329 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 54.134 96.795 62.676 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 54.430 95.981 61.434 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 60.718 5.962 40.578 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 59.781 5.992 40.775 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 61.145 6.048 41.431 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 42.802 41.448 45.412 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 43.036 40.752 46.027 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 42.111 41.068 44.870 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 29.269 48.197 15.881 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 29.777 47.539 16.355 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 29.792 48.390 15.103 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 76.810 96.524 6.180 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 77.696 96.885 6.140 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 76.421 96.929 6.955 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 56.154 19.151 -10.608 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 56.165 19.156 -9.651 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 55.749 19.985 -10.848 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 28.079 87.356 60.090 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 27.918 87.500 61.023 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 27.216 87.160 59.725 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 40.144 65.681 8.212 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 40.578 66.507 7.998 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 40.858 65.048 8.287 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 22.876 31.851 21.921 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 22.585 31.899 21.011 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 23.247 32.715 22.101 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 88.000 44.665 -7.052 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 87.265 44.528 -6.455 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 88.260 43.784 -7.320 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 59.075 88.711 38.763 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 59.037 88.076 39.479 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 58.946 89.559 39.187 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 38.669 43.558 -18.590 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 38.314 43.854 -17.751 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 38.977 42.668 -18.419 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 52.646 10.908 5.508 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 52.611 11.824 5.781 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 52.027 10.462 6.086 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 57.281 73.109 60.553 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 57.467 72.631 61.361 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 57.094 72.427 59.908 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 88.196 46.087 -20.015 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 87.960 46.078 -19.088 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 87.561 46.678 -20.419 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 88.248 21.604 45.922 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 88.554 20.726 45.697 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 87.785 21.491 46.753 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 47.559 8.935 33.461 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 48.375 8.958 32.961 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 47.736 8.334 34.184 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 68.260 25.959 55.482 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 67.767 26.557 54.920 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 68.429 25.195 54.931 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 34.546 20.938 17.191 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 34.524 20.991 16.236 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 33.795 21.458 17.478 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 69.800 49.531 58.527 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 69.976 50.104 57.780 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 70.212 49.973 59.270 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 82.321 24.302 64.076 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 82.193 24.171 65.016 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 83.272 24.319 63.964 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 62.021 42.988 64.492 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 61.622 42.427 63.826 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 61.372 43.675 64.645 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 78.656 72.222 11.752 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 78.279 71.369 11.966 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 77.900 72.797 11.639 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 63.930 70.063 -18.095 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 63.346 70.799 -18.274 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 63.535 69.325 -18.559 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 73.389 22.855 67.008 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 74.169 23.386 67.175 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 72.886 23.363 66.371 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 62.093 63.637 34.475 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 61.629 62.997 35.015 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 61.755 63.494 33.591 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 77.487 73.266 -18.923 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 78.127 72.633 -18.599 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 76.694 72.752 -19.073 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 47.185 34.734 39.134 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 46.917 35.620 38.891 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 48.134 34.793 39.244 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 54.234 45.851 64.921 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 54.566 44.955 64.964 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 53.783 45.981 65.755 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 29.296 46.150 62.683 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 28.778 46.637 63.323 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 30.200 46.407 62.860 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 89.103 67.668 60.580 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 89.420 66.803 60.839 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 88.704 68.025 61.374 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 35.557 44.029 4.758 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 35.912 44.574 5.460 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 36.258 43.410 4.556 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 22.333 20.111 49.733 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 22.712 20.829 50.240 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 23.077 19.727 49.269 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 63.930 95.837 40.235 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 64.885 95.875 40.288 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 63.741 95.821 39.297 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 40.476 5.306 -11.636 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 41.372 5.056 -11.410 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 40.246 5.980 -10.996 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 52.374 82.040 -14.511 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 52.242 82.974 -14.352 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 51.579 81.759 -14.965 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 79.412 57.732 45.121 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 79.006 58.114 44.343 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 78.982 58.169 45.856 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 29.622 -0.299 40.995 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 30.173 0.374 41.395 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 28.917 0.188 40.569 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 40.078 13.567 -18.620 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 40.504 13.168 -17.862 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 40.709 14.213 -18.938 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 27.327 78.800 27.621 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 26.796 79.507 27.256 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 26.702 78.097 27.798 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 24.526 27.674 48.893 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 24.467 27.701 47.938 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 24.903 26.816 49.086 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 29.039 50.734 8.335 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 29.925 50.603 8.673 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 28.509 50.910 9.112 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 36.820 6.122 36.046 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 37.462 6.052 36.753 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 36.206 5.406 36.208 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 59.087 75.819 -18.754 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 59.488 75.683 -17.896 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 58.263 76.268 -18.566 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 76.331 68.433 43.752 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 76.409 69.255 43.269 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 77.235 68.149 43.890 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 46.262 58.245 -16.968 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 46.808 58.130 -16.190 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 45.589 57.570 -16.891 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 75.756 58.290 52.149 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 76.215 57.791 52.825 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 75.053 57.709 51.857 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 51.333 82.096 -1.410 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 50.690 81.390 -1.342 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 52.168 81.649 -1.543 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 88.114 56.176 55.071 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 88.263 55.882 55.969 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 87.241 55.849 54.853 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 82.871 90.543 64.258 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 82.756 89.704 63.812 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 82.112 90.612 64.838 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 77.619 32.878 -6.959 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 78.102 32.305 -7.554 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 76.952 32.313 -6.568 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 40.242 53.791 9.031 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 41.192 53.734 9.132 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 39.906 53.816 9.927 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 31.838 44.910 -13.893 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 31.887 45.836 -13.658 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 32.583 44.771 -14.478 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 42.630 35.765 2.255 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 42.778 34.895 2.625 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 43.499 36.166 2.228 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 73.326 92.568 35.206 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 73.562 93.495 35.156 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 73.762 92.252 35.998 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 52.618 80.691 50.582 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 52.268 81.002 49.748 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 53.242 80.007 50.339 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 42.252 40.902 28.683 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 42.769 40.391 28.060 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 42.712 41.740 28.745 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 27.862 26.160 60.197 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 27.277 26.639 60.784 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 28.282 26.840 59.670 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 31.707 57.096 45.344 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 32.023 57.775 45.939 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 31.837 56.277 45.822 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 79.754 13.371 54.719 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 78.804 13.464 54.644 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 79.999 12.811 53.982 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 30.217 94.896 51.206 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 31.096 95.086 51.534 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 30.338 94.744 50.269 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 72.154 62.049 44.423 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 72.471 61.627 43.624 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 72.191 62.986 44.231 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 83.656 55.122 -17.344 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 83.277 54.771 -16.539 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 82.925 55.150 -17.962 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 46.534 81.126 24.035 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 46.955 80.572 24.693 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 46.773 80.728 23.198 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 49.661 84.380 10.674 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 49.564 84.099 11.584 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 50.588 84.245 10.479 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 54.298 76.784 5.906 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 54.983 76.865 6.569 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 54.407 75.901 5.554 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 88.183 9.898 60.222 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 88.558 10.071 61.085 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 88.363 10.692 59.718 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 75.207 90.732 -13.055 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 74.465 91.298 -12.841 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 75.971 91.201 -12.721 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 28.446 32.137 32.165 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 27.888 32.703 31.633 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 27.839 31.533 32.592 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 83.153 20.863 4.251 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 83.720 21.524 3.854 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 82.521 20.647 3.566 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 22.414 35.563 54.365 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 21.544 35.455 53.981 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 23.018 35.298 53.671 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 39.647 12.979 15.129 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 40.217 13.729 15.297 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 40.097 12.485 14.443 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 47.377 95.609 -13.552 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 47.509 96.289 -14.212 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 48.229 95.179 -13.476 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 35.542 64.681 33.771 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 35.379 65.596 33.544 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 36.489 64.632 33.905 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 43.119 7.102 -3.207 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 43.922 7.390 -2.772 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 42.472 7.771 -2.982 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 69.509 6.203 -11.169 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 70.259 6.443 -11.713 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 68.796 6.059 -11.791 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 43.640 96.582 34.244 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 44.346 96.855 33.658 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 44.013 95.860 34.749 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 86.552 61.570 54.593 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 85.728 61.534 54.107 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 87.178 61.947 53.975 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 50.077 25.432 60.306 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 49.564 26.178 59.998 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 50.906 25.814 60.595 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 68.593 42.118 13.617 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 67.646 41.997 13.544 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 68.699 43.039 13.853 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 90.603 95.086 -7.992 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 91.109 95.867 -7.769 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 89.698 95.319 -7.782 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 30.137 55.285 9.808 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 30.897 55.858 9.906 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 29.415 55.878 9.599 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 58.426 30.282 -8.183 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 58.436 31.069 -8.728 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 57.544 30.257 -7.812 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 89.087 82.965 65.959 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 89.694 83.483 65.430 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 89.635 82.579 66.643 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 31.521 80.723 -6.846 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 31.134 79.894 -6.565 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 32.316 80.470 -7.316 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 48.218 80.088 55.580 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 48.440 80.970 55.879 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 48.815 79.514 56.061 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 37.637 64.824 45.954 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 38.150 65.496 45.505 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 37.754 64.037 45.422 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 90.129 91.939 37.998 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 89.802 91.096 37.686 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 91.027 91.761 38.275 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 52.167 3.659 2.389 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 51.517 4.338 2.204 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 52.897 3.860 1.803 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 67.301 73.430 -2.088 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 66.481 73.767 -1.727 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 67.930 73.511 -1.370 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 35.397 83.703 12.349 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 34.514 83.368 12.193 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 35.823 83.023 12.871 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 64.071 83.104 39.379 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 63.846 82.387 38.786 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 63.897 83.898 38.873 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 42.219 80.704 50.394 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 42.568 80.164 51.103 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 42.271 80.145 49.619 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 46.549 24.083 62.176 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 46.466 24.937 62.601 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 47.493 23.941 62.107 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 58.753 87.381 -11.394 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 59.451 87.295 -10.744 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 58.450 86.485 -11.541 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 77.430 31.032 -4.057 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 78.367 30.846 -3.997 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 77.339 31.920 -3.712 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 56.455 2.520 29.620 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 56.013 3.341 29.404 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 56.103 2.277 30.477 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 38.191 42.634 30.749 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 38.741 43.126 31.359 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 38.810 42.127 30.223 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 27.235 47.909 31.916 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 26.516 47.633 32.485 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 26.804 48.255 31.135 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 72.439 23.561 43.743 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 73.390 23.633 43.823 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 72.117 23.632 44.642 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 67.082 85.628 -18.476 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 66.725 85.281 -19.293 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 67.412 86.496 -18.707 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 44.982 37.253 2.658 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 44.594 37.155 3.528 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 45.718 37.851 2.790 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 75.898 13.338 -7.836 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 75.436 13.363 -6.998 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 76.030 14.258 -8.065 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 66.483 89.524 49.004 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 65.537 89.384 49.049 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 66.838 88.999 49.722 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 22.517 83.422 63.201 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 23.407 83.771 63.235 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 22.576 82.669 62.613 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 53.249 33.989 -13.332 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 53.359 34.527 -12.548 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 54.050 34.132 -13.836 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 86.132 26.565 41.310 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 86.837 26.175 41.826 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 85.979 27.417 41.719 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 39.921 60.340 -13.486 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 39.151 60.725 -13.068 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 40.573 60.287 -12.787 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 31.094 40.002 24.903 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 31.750 39.796 25.569 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 31.151 40.952 24.797 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 77.143 22.649 35.880 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 77.875 22.737 35.270 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 77.449 22.020 36.533 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 48.659 94.940 2.764 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 48.285 95.640 3.299 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 48.133 94.942 1.964 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 84.278 78.780 11.846 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 84.477 77.844 11.866 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 84.129 78.975 10.921 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 37.008 58.732 -14.594 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 37.518 58.082 -15.079 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 37.048 58.438 -13.684 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 86.701 42.004 30.940 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 86.796 41.089 30.676 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 85.807 42.235 30.687 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 24.625 26.919 7.235 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 24.148 27.725 7.042 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 24.395 26.714 8.142 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 86.870 85.249 18.376 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 87.567 85.802 18.728 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 86.695 84.613 19.070 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 63.625 9.374 18.516 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 64.521 9.063 18.646 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 63.411 9.837 19.326 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 37.636 9.005 -13.836 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 36.958 9.663 -13.985 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 37.719 8.551 -14.675 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 81.258 44.274 67.100 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 80.459 44.572 66.665 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 81.466 43.442 66.675 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 75.819 4.668 46.414 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 76.604 5.179 46.218 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 76.061 3.766 46.204 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 59.070 67.523 -20.080 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 58.347 68.148 -20.128 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 59.001 67.143 -19.204 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 39.561 44.447 1.287 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 39.923 43.783 0.701 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 38.975 43.961 1.868 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 22.475 12.525 50.318 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 22.097 13.358 50.600 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 22.383 12.530 49.365 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 64.675 17.519 45.268 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 64.929 17.837 44.401 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 64.183 18.243 45.655 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 29.032 35.719 6.523 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 29.988 35.734 6.483 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 28.752 35.795 5.611 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 28.362 78.499 43.167 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 29.295 78.396 42.979 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 28.310 79.297 43.693 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 61.447 16.172 25.156 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 62.103 16.559 25.736 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 61.934 15.532 24.636 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 65.074 3.244 -5.925 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 64.781 3.972 -5.377 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 65.431 3.662 -6.709 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 56.314 74.887 58.761 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 55.363 74.971 58.693 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 56.449 74.217 59.431 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 29.791 92.178 -1.343 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 29.334 91.490 -1.828 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 30.116 92.772 -2.020 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 35.232 88.820 35.344 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 35.756 89.235 36.029 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 35.815 88.164 34.961 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 60.335 49.864 38.190 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 59.960 49.877 39.071 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 59.719 50.369 37.660 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 26.971 47.790 -0.304 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 26.822 48.579 0.217 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 27.786 47.425 0.040 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 51.572 10.639 0.444 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 52.128 10.952 1.157 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 50.860 10.173 0.882 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 25.669 51.398 20.734 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 25.580 51.174 21.660 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 26.523 51.046 20.483 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 63.829 63.609 52.964 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 63.355 63.157 52.266 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 63.765 63.022 53.717 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 21.210 19.733 -16.448 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 21.990 19.929 -16.967 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 20.691 19.152 -17.004 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 20.718 58.299 48.784 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 21.642 58.070 48.681 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 20.724 59.075 49.345 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 76.668 89.710 -10.181 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 77.011 89.128 -10.859 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 75.780 89.391 -10.018 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 26.809 10.191 -0.943 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 27.091 10.736 -1.677 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 25.928 10.503 -0.737 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 58.522 23.074 -11.825 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 58.764 22.159 -11.681 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 57.587 23.045 -12.027 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 43.208 85.433 63.603 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 42.514 86.069 63.775 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 43.984 85.965 63.432 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 41.060 23.349 41.619 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 41.230 23.330 40.677 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 41.756 23.900 41.977 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 64.821 91.273 58.015 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 64.143 91.924 57.832 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 64.417 90.436 57.786 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 27.402 84.422 61.632 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 27.954 84.461 60.851 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 27.641 85.201 62.134 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 54.727 19.277 37.048 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 54.176 19.393 36.273 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 55.543 18.909 36.709 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 69.820 27.219 64.011 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 70.029 28.116 64.275 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 69.307 26.869 64.740 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 50.818 7.962 59.303 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 51.332 7.637 60.042 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 51.240 8.787 59.061 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 88.767 92.147 51.438 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 89.194 92.950 51.738 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 88.387 91.767 52.231 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 60.601 27.616 5.467 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 60.997 27.579 4.596 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 59.670 27.763 5.301 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 31.004 66.857 49.678 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 31.564 66.162 50.024 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 31.269 66.944 48.762 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 30.401 47.021 39.341 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 31.016 47.691 39.041 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 30.926 46.445 39.896 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 24.186 65.212 49.830 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 23.458 64.591 49.796 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 24.863 64.760 50.335 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 85.227 1.713 -15.696 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 84.613 2.370 -15.369 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 84.753 0.885 -15.624 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 38.912 25.276 49.925 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 38.740 24.743 50.701 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 39.679 24.870 49.520 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 43.516 54.079 -5.585 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 43.990 53.887 -6.394 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 42.843 53.400 -5.535 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 78.701 30.839 29.202 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 78.854 31.668 29.656 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 77.849 30.950 28.781 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 65.854 25.468 6.742 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 65.449 26.321 6.899 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 65.220 24.996 6.203 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 55.415 11.602 66.832 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 55.040 11.056 67.523 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 54.712 11.693 66.189 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 79.948 62.354 18.621 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 80.027 63.263 18.333 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 79.174 62.024 18.164 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 56.374 9.738 -6.014 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 55.715 10.065 -6.625 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 55.870 9.311 -5.321 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 32.574 13.106 40.489 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 32.335 13.944 40.092 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 31.837 12.894 41.062 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 35.780 27.315 16.606 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 36.177 28.160 16.817 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 36.465 26.673 16.795 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 63.995 58.651 54.157 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 63.794 59.529 53.832 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 63.765 58.069 53.433 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 22.504 30.066 28.787 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 22.968 30.893 28.655 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 22.378 29.718 27.904 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 32.468 68.012 -7.429 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 32.269 68.330 -8.309 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 33.341 67.627 -7.505 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 61.529 15.422 53.470 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 61.880 16.301 53.614 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 60.954 15.267 54.219 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 37.336 13.965 -0.829 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 37.284 14.914 -0.713 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 37.664 13.638 0.009 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 48.802 18.775 61.241 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 49.090 19.305 60.498 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 48.204 18.132 60.861 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 52.066 14.884 65.100 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 51.992 14.273 65.834 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 52.154 15.743 65.512 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 32.252 23.197 -6.629 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 33.179 23.337 -6.435 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 32.224 23.052 -7.575 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 84.529 34.413 2.578 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 83.853 34.195 3.221 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 85.280 34.688 3.104 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 68.080 23.560 57.572 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 68.585 24.090 58.189 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 67.575 22.965 58.126 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 30.964 48.284 47.598 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 31.563 48.934 47.965 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 30.099 48.554 47.907 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 77.440 14.744 6.217 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 78.346 14.964 6.432 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 76.996 14.702 7.064 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 36.434 66.567 40.708 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 36.695 67.296 40.145 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 37.249 66.099 40.889 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 56.458 21.939 -7.372 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 56.047 22.721 -7.004 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 55.727 21.411 -7.691 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 47.639 22.789 59.017 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 47.379 23.607 59.440 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 48.357 23.037 58.435 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 36.904 77.036 -11.429 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 36.289 77.627 -11.864 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 36.512 76.168 -11.527 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 70.381 37.229 56.985 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 70.182 38.075 56.585 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 71.039 36.840 56.409 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 76.750 50.698 -14.435 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 76.401 50.328 -13.625 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 75.995 51.108 -14.858 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 50.150 42.984 47.784 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 50.494 43.843 48.026 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 50.875 42.554 47.329 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 52.126 9.598 38.706 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 52.696 10.366 38.753 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 51.613 9.729 37.909 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 47.492 61.724 52.593 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 48.219 61.427 52.046 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 46.764 61.842 51.982 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 32.676 75.357 2.972 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 33.423 75.490 3.556 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 32.100 76.101 3.146 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 70.315 3.818 26.855 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 70.148 3.302 26.066 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 70.371 3.171 27.558 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 69.014 83.153 51.717 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 68.445 82.648 51.137 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 69.782 82.596 51.845 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 59.555 92.734 0.868 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 59.573 93.500 0.295 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 59.032 93.009 1.621 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 28.393 1.082 43.658 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 28.353 0.494 42.904 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 27.493 1.388 43.772 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 27.476 92.181 63.753 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 27.001 92.966 63.481 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 27.867 92.416 64.595 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 41.948 8.210 48.898 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 41.999 8.358 47.954 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 41.395 8.921 49.224 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 75.156 10.459 42.377 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 74.329 10.029 42.596 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 75.685 10.379 43.170 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 37.688 54.794 -14.695 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 38.143 54.040 -15.069 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 38.191 55.551 -14.993 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 77.026 11.339 51.805 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 77.401 12.186 51.562 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 76.457 11.109 51.070 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 22.570 59.942 1.139 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 21.965 60.083 1.868 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 23.190 59.289 1.464 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 82.804 2.734 -17.219 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 83.398 1.996 -17.084 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 83.339 3.508 -17.043 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 65.143 10.141 1.720 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 65.976 10.562 1.507 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 65.383 9.405 2.282 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 76.446 57.793 58.938 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 75.613 57.410 58.664 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 76.797 58.197 58.144 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 88.236 13.095 45.288 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 87.639 12.611 45.860 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 88.622 12.425 44.723 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 70.591 71.810 27.340 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 69.642 71.926 27.289 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 70.740 71.425 28.204 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 45.086 28.528 41.143 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 45.652 29.085 40.609 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 44.930 29.037 41.939 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 50.320 77.050 38.716 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 50.789 77.086 37.882 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 49.737 77.809 38.697 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 82.749 13.230 47.767 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 83.316 13.774 47.220 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 82.832 13.602 48.644 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 85.184 32.685 51.979 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 86.057 32.844 51.622 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 85.340 32.409 52.882 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 62.477 61.174 60.142 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 62.202 61.894 60.709 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 61.801 61.129 59.466 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 53.901 77.640 -8.210 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 53.202 77.174 -8.667 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 54.437 76.948 -7.821 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 46.998 63.080 59.659 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 47.572 62.893 58.917 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 46.245 63.529 59.273 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 80.803 83.617 47.593 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 80.414 83.846 46.749 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 80.543 84.328 48.178 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 40.229 72.614 -1.304 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 40.026 71.963 -0.632 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 41.028 73.039 -0.993 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 61.882 19.890 5.205 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 61.464 20.183 4.395 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 62.809 20.097 5.085 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 83.965 92.932 64.994 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 83.565 92.992 65.862 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 83.703 92.071 64.668 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 83.228 49.265 -17.787 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 83.398 50.048 -18.310 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 82.890 48.626 -18.414 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 50.189 72.562 51.663 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 49.415 72.079 51.954 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 49.868 73.127 50.959 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 84.788 85.827 42.725 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 83.999 86.212 43.107 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 84.513 85.527 41.859 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 28.586 9.876 49.513 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 29.005 10.292 48.760 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 28.755 10.473 50.242 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 36.035 47.271 38.494 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 36.721 46.624 38.654 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 35.450 46.850 37.864 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 56.585 39.521 39.011 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 55.992 38.910 38.573 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 57.400 39.464 38.512 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 39.943 71.186 26.602 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 40.196 70.444 26.053 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 40.592 71.862 26.405 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 39.975 67.415 -8.307 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 39.046 67.554 -8.122 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 40.402 68.217 -8.008 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 54.298 51.752 60.513 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 54.747 52.581 60.348 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 54.535 51.526 61.413 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 61.518 94.709 44.647 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 60.576 94.875 44.681 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 61.881 95.475 44.202 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 78.113 91.267 64.160 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 78.700 90.527 64.316 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 78.008 91.676 65.019 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 75.489 45.892 -12.043 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 74.553 45.827 -11.852 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 75.796 46.615 -11.496 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 39.006 13.947 38.277 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 38.546 13.126 38.103 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 39.654 14.012 37.576 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 46.760 59.336 63.937 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 46.781 58.726 63.199 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 46.842 60.201 63.536 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 24.486 56.904 41.229 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 23.957 57.684 41.065 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 24.652 56.539 40.360 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 50.053 8.564 51.313 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 49.146 8.868 51.321 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 50.123 8.038 50.516 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 74.497 27.299 43.479 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 73.858 26.977 42.843 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 73.989 27.441 44.278 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 51.088 31.213 -17.351 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 50.473 31.874 -17.669 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 51.584 31.659 -16.663 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 20.950 3.236 53.883 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 20.761 3.286 54.820 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 20.608 2.383 53.615 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 39.374 87.481 22.887 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 39.710 87.200 23.738 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 39.638 86.786 22.284 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 38.063 8.499 52.705 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 38.994 8.358 52.879 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 37.786 9.126 53.373 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 49.494 42.630 31.399 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 49.782 43.132 30.636 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 48.825 42.037 31.057 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 43.290 14.092 50.644 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 42.520 14.557 50.972 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 43.354 14.351 49.725 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 69.437 25.991 -9.351 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 68.551 25.630 -9.319 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 69.984 25.260 -9.640 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 72.871 96.210 31.479 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 73.336 96.425 32.288 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 72.117 95.693 31.766 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 31.613 26.002 -1.878 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 31.202 26.747 -2.317 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 32.037 25.512 -2.583 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 23.270 88.322 -16.747 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 24.135 88.273 -16.340 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 23.349 87.797 -17.543 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 34.803 37.404 44.091 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 34.874 36.525 43.719 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 35.700 37.737 44.094 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 80.253 62.362 22.889 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 79.489 62.889 22.657 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 79.892 61.611 23.361 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 83.292 84.755 31.205 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 82.367 84.861 30.985 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 83.379 85.149 32.073 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 51.612 75.616 51.969 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 52.390 75.542 51.417 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 51.459 74.727 52.289 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 48.429 88.763 41.417 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 48.405 87.818 41.572 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 47.618 89.091 41.807 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 37.332 60.703 37.147 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 38.157 61.115 37.404 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 37.579 60.076 36.467 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 69.020 21.508 29.590 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 69.167 22.173 28.918 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 69.003 21.997 30.412 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 81.268 95.133 32.587 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 81.827 94.357 32.542 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 80.803 95.046 33.420 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 57.800 81.606 47.994 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 58.539 81.345 47.444 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 57.092 81.786 47.376 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 90.019 65.791 63.704 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 90.499 65.446 62.951 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 89.104 65.577 63.523 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 34.143 11.808 9.193 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 33.838 12.482 9.800 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 34.992 12.127 8.888 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 76.862 4.061 65.333 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 76.719 4.747 64.681 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 77.615 4.365 65.840 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 27.976 58.634 18.252 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 28.694 58.987 18.777 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 27.507 58.050 18.848 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 57.811 95.834 -4.571 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 56.915 95.801 -4.904 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 58.351 95.540 -5.304 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 50.541 4.138 59.760 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 51.018 4.907 59.446 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 50.528 4.236 60.712 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 69.087 85.307 -4.264 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 69.388 85.675 -3.434 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 68.942 84.379 -4.077 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 33.529 89.246 -7.766 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 32.640 89.236 -7.413 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 33.959 89.973 -7.314 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 36.959 30.633 7.573 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 37.362 31.151 8.270 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 37.296 29.747 7.708 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 25.496 30.434 37.479 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 25.662 31.278 37.060 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 24.815 30.617 38.126 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 25.984 84.569 47.250 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 25.885 84.521 48.200 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 25.268 84.034 46.907 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 31.865 30.615 2.493 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 31.266 29.871 2.567 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 32.531 30.454 3.162 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 53.808 53.275 43.796 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 53.973 53.714 42.962 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 53.959 52.347 43.613 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 36.850 49.188 52.257 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 37.025 48.996 53.178 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 37.287 50.025 52.099 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 79.591 90.147 -0.089 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 78.934 89.955 0.580 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 79.100 90.161 -0.911 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 23.883 31.081 17.669 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 23.547 30.778 16.826 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 24.304 31.918 17.472 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 77.359 80.017 52.490 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 77.368 80.720 51.841 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 76.713 79.393 52.159 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 27.755 30.033 20.272 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 27.213 30.429 20.954 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 28.331 30.740 19.982 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 31.939 79.445 -4.183 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 32.443 78.867 -3.610 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 32.368 80.297 -4.101 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 77.470 64.930 57.286 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 76.637 65.125 56.855 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 77.896 64.297 56.708 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 67.236 0.324 31.864 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 67.193 0.819 31.047 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 66.365 0.421 32.250 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 84.538 18.340 52.799 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 85.460 18.083 52.820 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 84.115 17.768 53.440 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 72.422 40.006 17.098 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 71.898 39.473 17.696 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 71.800 40.306 16.436 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 53.027 58.687 -4.356 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 53.901 58.998 -4.119 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 52.446 59.088 -3.709 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 79.778 32.004 66.452 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 79.086 31.755 65.839 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 79.426 32.765 66.915 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 62.050 53.713 64.100 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 62.116 53.097 64.830 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 62.884 54.182 64.106 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 89.765 91.558 41.884 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 89.214 91.074 41.270 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 89.695 91.072 42.705 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 30.397 18.910 -3.850 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 29.720 19.144 -3.215 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 31.187 19.347 -3.532 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 88.492 38.295 42.724 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 88.960 37.557 43.114 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 88.548 38.989 43.380 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 38.988 37.452 2.291 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 39.753 37.543 1.722 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 38.684 38.349 2.428 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 31.561 42.033 62.119 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 32.068 41.322 61.728 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 31.673 41.918 63.062 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 59.105 67.182 27.805 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 58.642 66.539 28.342 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 58.573 67.261 27.013 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 49.873 38.489 64.464 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 49.451 39.328 64.647 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 50.533 38.691 63.802 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 33.358 80.097 52.305 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 34.301 79.935 52.291 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 32.988 79.406 51.757 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 34.332 1.986 45.756 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 34.974 1.572 45.179 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 34.524 2.922 45.695 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 36.678 74.213 30.120 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 37.105 73.663 30.777 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 37.296 74.929 29.968 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 69.902 45.209 -17.336 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 70.575 45.884 -17.417 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 69.216 45.615 -16.806 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 76.605 60.344 49.678 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 76.560 61.149 50.193 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 75.807 59.867 49.908 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 40.183 17.346 28.003 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 39.763 17.757 28.759 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 40.060 17.972 27.290 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 80.417 4.180 6.406 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 80.526 3.880 5.503 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 81.310 4.274 6.737 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 86.070 16.198 44.098 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 86.275 15.370 44.533 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 85.143 16.345 44.285 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 38.405 86.128 47.217 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 39.068 86.492 47.803 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 38.188 85.278 47.600 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 61.156 23.670 24.551 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 60.501 24.137 25.070 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 61.291 24.224 23.782 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 45.473 84.324 -0.202 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 45.502 83.444 -0.578 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 45.871 84.883 -0.870 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 34.433 83.450 9.068 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 33.497 83.269 8.987 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 34.786 83.285 8.194 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 54.495 16.019 -9.564 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 53.655 16.453 -9.409 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 54.489 15.267 -8.972 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 47.798 33.104 45.980 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 48.671 33.497 45.998 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 47.621 32.956 45.050 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 50.358 29.661 -6.977 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 50.451 29.030 -6.264 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 50.088 29.134 -7.730 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 29.889 17.222 37.187 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 30.199 17.547 38.032 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 30.518 17.567 36.552 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 66.599 5.344 13.747 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 67.124 6.121 13.938 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 65.719 5.684 13.581 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 72.895 47.940 66.864 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 72.862 47.709 65.936 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 72.863 48.896 66.874 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 82.424 19.801 54.301 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 82.539 20.297 53.490 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 83.085 19.110 54.255 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 20.570 11.626 45.283 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 20.141 10.800 45.062 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 21.312 11.680 44.680 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 38.593 52.581 61.426 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 37.780 52.572 61.932 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 38.873 51.666 61.406 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 28.113 34.532 42.850 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 28.904 34.453 43.382 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 27.987 35.475 42.745 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 67.274 66.430 43.304 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 67.850 65.885 43.840 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 66.681 65.808 42.881 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 59.296 27.912 -7.445 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 58.979 28.685 -7.913 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 58.693 27.814 -6.709 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 24.972 48.359 24.463 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 24.036 48.547 24.532 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 25.060 47.875 23.641 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 88.749 13.304 62.157 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 89.618 13.704 62.123 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 88.915 12.389 62.386 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 90.522 0.023 37.828 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 89.740 0.534 37.621 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 91.108 0.171 37.086 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 67.520 91.186 30.265 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 67.545 90.580 29.525 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 67.417 90.624 31.033 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 81.628 87.172 66.091 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 82.495 87.478 65.826 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 81.689 87.072 67.041 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 60.081 39.000 3.487 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 59.637 38.218 3.813 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 59.492 39.721 3.711 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 75.629 85.260 25.949 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 75.520 86.084 26.424 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 76.438 85.376 25.450 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 22.440 47.541 27.583 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 21.990 47.541 26.739 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 21.797 47.189 28.198 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 61.183 13.580 -18.259 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 61.211 13.264 -17.356 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 60.332 13.290 -18.589 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 56.321 5.770 1.185 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 56.738 4.918 1.060 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 56.745 6.133 1.963 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 24.735 83.036 19.471 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 24.533 82.519 20.251 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 24.663 82.415 18.746 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 85.707 49.503 -10.457 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 86.422 48.866 -10.454 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 85.589 49.727 -11.380 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 32.515 50.432 -11.606 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 32.521 51.328 -11.270 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 32.145 49.911 -10.893 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 63.709 25.183 -0.656 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 62.865 25.379 -0.247 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 63.527 24.448 -1.241 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 63.614 51.889 65.909 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 63.620 51.459 66.764 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 63.092 51.310 65.353 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 89.341 5.592 66.891 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 89.039 5.822 66.013 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 89.268 6.405 67.391 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 27.093 59.842 -17.929 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 27.737 59.886 -17.223 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 27.395 59.125 -18.486 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 30.974 60.699 48.202 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 30.219 60.117 48.293 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 31.634 60.168 47.756 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 39.945 71.635 35.958 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 40.242 72.545 35.971 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 39.633 71.472 36.848 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 58.539 73.098 -4.998 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 59.334 72.754 -5.406 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 58.412 72.553 -4.222 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 29.496 61.063 -11.262 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 29.084 60.201 -11.188 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 28.882 61.577 -11.787 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 77.851 37.620 54.542 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 77.099 38.148 54.274 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 78.064 37.934 55.421 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 88.191 53.572 40.351 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 88.287 53.298 41.263 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 87.843 54.463 40.404 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 58.925 53.261 53.572 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 59.722 52.921 53.164 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 58.821 54.137 53.201 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 22.281 5.744 63.638 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 22.913 5.746 62.920 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 22.752 5.347 64.371 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 83.975 47.839 -12.731 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 84.655 47.169 -12.808 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 83.752 48.060 -13.635 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 51.439 38.282 -10.081 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 52.032 37.622 -9.721 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 50.565 37.980 -9.834 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 75.773 4.015 57.515 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 76.350 3.915 58.272 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 76.142 3.431 56.853 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 88.852 36.819 -3.463 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 89.230 37.649 -3.754 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 89.396 36.556 -2.720 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 88.190 20.954 56.393 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 88.716 21.489 55.799 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 87.328 21.370 56.392 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 86.559 92.684 -17.873 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 86.724 92.114 -17.122 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 87.330 92.578 -18.429 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 35.607 56.615 40.254 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 36.475 56.968 40.452 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 35.128 57.353 39.877 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 85.674 49.669 -1.215 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 85.328 48.930 -0.715 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 85.405 50.442 -0.718 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 65.631 48.052 -9.112 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 65.917 48.962 -9.191 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 64.964 47.950 -9.791 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 72.733 27.175 41.488 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 71.942 27.634 41.768 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 72.413 26.363 41.094 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 40.067 17.222 -18.114 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 40.775 16.577 -18.101 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 40.443 17.998 -17.700 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 89.943 4.274 42.793 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 90.155 4.468 43.706 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 90.065 3.328 42.714 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 55.299 65.621 44.762 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 54.430 65.223 44.722 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 55.132 66.563 44.775 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 30.781 49.517 -19.785 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 31.219 48.785 -20.220 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 31.495 50.063 -19.456 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 37.898 35.295 61.157 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 37.547 35.890 61.819 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 38.200 34.534 61.654 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 28.104 59.814 22.331 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 29.003 59.534 22.505 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 28.160 60.767 22.256 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 74.749 9.712 45.713 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 75.218 9.787 46.544 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 74.746 8.774 45.522 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 32.238 33.730 34.544 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 32.372 32.783 34.593 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 32.586 33.978 33.688 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 37.754 92.916 46.407 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 38.122 92.723 47.269 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 38.131 93.763 46.169 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 47.704 90.626 -2.281 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 46.883 90.439 -1.826 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 48.283 89.904 -2.038 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 28.466 42.001 16.248 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 28.396 42.939 16.429 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 29.326 41.900 15.840 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 70.233 71.330 61.292 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 70.542 72.045 60.735 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 69.999 70.633 60.679 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 36.206 34.357 47.225 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 36.772 34.638 47.944 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 35.614 33.718 47.621 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 36.486 55.027 28.116 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 36.767 55.777 28.640 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 36.813 55.213 27.236 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 60.692 58.772 -17.564 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 61.280 59.228 -16.961 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 59.820 58.898 -17.190 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 29.037 75.131 -13.717 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 28.667 74.520 -14.354 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 29.953 75.224 -13.979 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 38.015 35.396 49.185 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 38.760 35.401 48.584 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 38.258 34.765 49.863 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 64.103 22.039 -15.230 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 64.877 21.665 -15.651 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 63.900 22.817 -15.749 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 33.817 55.685 29.778 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 34.567 56.214 29.510 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 34.110 55.239 30.573 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 54.595 42.456 53.226 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 54.385 43.208 53.780 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 53.909 41.817 53.418 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 27.265 70.354 26.115 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 27.312 69.719 26.830 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 26.970 71.163 26.532 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 88.430 44.925 60.719 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 89.097 44.355 60.338 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 87.598 44.520 60.473 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 25.429 10.650 -18.633 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 26.215 10.381 -18.158 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 24.705 10.413 -18.053 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 52.325 79.920 18.768 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 51.584 80.387 19.153 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 53.096 80.322 19.169 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 58.493 40.442 66.546 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 58.578 41.327 66.900 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 57.860 40.528 65.833 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 53.090 31.506 -10.156 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 54.023 31.294 -10.184 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 52.923 31.732 -9.240 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 70.018 95.191 51.123 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 70.912 94.854 51.063 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 69.960 95.564 52.002 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 36.096 3.792 -8.744 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 35.882 3.456 -9.614 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 36.891 4.308 -8.874 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 27.257 24.767 3.842 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 26.928 24.975 4.717 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 27.283 25.610 3.389 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 49.167 71.208 61.038 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 48.329 71.365 61.473 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 49.205 70.258 60.925 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 59.361 95.590 5.873 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 59.296 96.241 5.174 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 59.244 96.092 6.680 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 23.438 58.132 61.606 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 22.777 58.321 60.940 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 23.775 58.991 61.860 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 54.714 76.031 45.707 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 54.033 75.462 45.349 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 55.020 75.575 46.491 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 88.805 47.867 -2.748 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 88.455 47.163 -3.294 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 88.413 47.721 -1.887 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 56.969 79.077 54.086 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 56.461 79.561 54.736 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 56.323 78.542 53.625 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 78.237 78.681 4.701 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 77.884 79.340 5.299 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 78.627 79.189 3.989 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 47.535 31.068 65.016 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 47.045 30.807 64.236 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 47.022 31.783 65.393 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 38.955 91.893 54.356 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 38.759 92.800 54.123 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 39.911 91.845 54.352 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 20.071 36.052 -1.622 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 20.531 36.626 -1.010 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 20.369 35.171 -1.394 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 63.072 78.894 11.700 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 63.123 77.978 11.424 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 63.609 78.936 12.491 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 59.889 90.053 14.606 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 59.947 89.144 14.314 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 60.726 90.220 15.040 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 38.063 36.409 43.530 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 37.396 35.836 43.907 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 38.466 36.838 44.285 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 33.769 69.618 33.161 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 34.163 68.751 33.257 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 34.453 70.148 32.752 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 76.603 95.045 46.104 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 76.203 94.967 45.238 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 75.932 94.729 46.708 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 27.227 47.486 47.706 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 26.297 47.641 47.869 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 27.671 48.221 48.130 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 83.047 37.219 51.649 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 83.759 37.147 52.284 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 83.382 37.813 50.978 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 30.115 21.475 63.981 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 31.017 21.504 64.300 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 30.192 21.587 63.033 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 70.844 17.880 -10.928 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 70.194 17.205 -10.734 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 70.729 18.063 -11.860 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 31.326 26.284 39.484 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 30.386 26.317 39.310 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 31.559 25.362 39.367 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 32.870 56.564 15.812 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 33.133 57.453 16.051 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 33.663 56.041 15.924 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 29.003 38.066 -10.984 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 28.734 38.770 -11.574 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 29.366 38.517 -10.222 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 83.851 32.735 22.415 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 84.741 32.517 22.690 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 83.331 32.677 23.218 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 53.876 4.800 42.152 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 53.696 5.530 42.745 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 54.398 4.190 42.674 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 41.250 54.279 13.983 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 42.045 54.225 14.513 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 40.577 54.585 14.590 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 72.297 18.930 62.783 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 72.484 18.081 63.184 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 73.079 19.454 62.954 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 42.547 44.599 -17.806 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 42.276 45.481 -18.062 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 43.501 44.611 -17.878 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 66.077 93.278 64.999 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 66.831 93.373 64.417 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 66.453 93.018 65.840 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 49.333 90.827 39.620 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 48.978 90.372 38.856 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 48.986 90.344 40.369 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 50.557 71.123 3.283 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 50.926 71.977 3.507 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 50.799 70.557 4.016 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 61.768 26.349 55.303 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 61.934 26.361 56.245 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 60.830 26.526 55.222 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 51.175 7.242 62.219 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 50.478 6.713 62.606 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 50.976 8.138 62.492 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 61.233 40.520 25.721 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 61.316 41.163 26.425 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 61.331 41.030 24.917 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 56.757 53.706 64.519 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 56.947 53.850 63.592 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 56.655 54.586 64.883 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 49.715 18.696 39.249 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 50.065 17.950 38.762 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 48.946 18.971 38.748 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 50.922 80.931 4.216 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 50.627 80.062 3.943 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 51.803 80.787 4.561 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 79.448 1.736 39.883 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 78.878 1.858 39.124 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 79.651 2.624 40.176 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 57.150 8.549 -12.592 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 57.829 8.666 -13.256 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 57.135 7.607 -12.427 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 72.996 95.309 -16.372 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 72.807 95.264 -15.435 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 73.537 94.539 -16.545 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 77.051 40.413 60.074 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 77.540 41.229 59.967 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 77.703 39.724 59.949 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 23.388 85.879 -18.139 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 23.834 85.229 -18.682 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 22.557 85.467 -17.905 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 73.183 32.625 -8.510 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 74.006 32.739 -8.035 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 72.504 32.757 -7.848 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 71.869 79.265 25.600 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 71.116 79.336 25.013 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 71.982 80.146 25.954 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 54.432 92.779 23.570 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 54.834 92.572 22.727 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 53.870 93.532 23.389 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 75.742 34.051 53.012 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 76.566 33.856 52.564 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 75.628 33.328 53.629 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 76.760 39.848 44.301 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 76.051 40.445 44.062 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 77.482 40.087 43.720 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 70.419 38.894 -3.185 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 70.816 39.760 -3.271 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 69.960 38.923 -2.346 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 56.168 9.122 18.895 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 56.097 10.044 19.140 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 57.106 8.978 18.769 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 26.952 31.697 48.987 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 26.057 31.555 49.295 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 27.152 30.920 48.465 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 70.319 55.568 16.288 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 70.430 56.463 15.965 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 69.412 55.348 16.078 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 47.674 19.478 -4.410 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 47.073 18.760 -4.607 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 48.157 19.183 -3.638 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 61.569 37.473 54.976 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 62.434 37.836 54.788 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 61.150 37.393 54.119 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 45.115 45.342 47.009 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 45.082 44.787 46.230 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 46.008 45.686 47.021 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 30.570 37.703 48.593 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 30.215 37.265 47.819 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 31.490 37.441 48.616 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 36.973 92.697 58.759 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 36.132 92.512 59.177 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 36.913 93.615 58.494 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 37.883 89.851 -8.610 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 37.346 90.572 -8.281 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 38.245 90.177 -9.434 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 62.812 14.273 -8.217 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 62.246 14.988 -8.508 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 62.790 13.642 -8.936 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 33.963 5.088 -19.930 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 33.756 5.431 -19.061 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 33.267 4.457 -20.112 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 75.247 51.101 -7.858 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 75.239 50.188 -7.573 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 75.355 51.604 -7.051 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 52.712 14.856 60.355 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 52.417 15.108 59.480 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 53.586 15.239 60.433 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 33.472 76.902 -18.173 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 33.111 77.660 -18.633 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 34.274 76.692 -18.651 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 57.736 80.286 -18.196 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 57.302 79.523 -17.814 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 58.106 79.965 -19.018 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 27.348 69.260 -8.927 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 26.458 69.608 -8.972 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 27.606 69.376 -8.013 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 87.305 8.917 -8.112 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 86.570 9.090 -8.700 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 87.671 9.782 -7.926 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 35.758 40.177 34.458 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 36.094 39.366 34.839 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 36.506 40.773 34.464 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 89.543 40.114 29.635 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 89.367 40.452 28.757 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 90.379 40.509 29.881 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 24.968 16.453 49.425 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 24.447 16.173 48.672 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 25.834 16.639 49.063 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 88.072 16.785 42.313 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 87.286 16.615 42.833 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 88.731 17.049 42.955 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 74.120 38.930 -10.374 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 74.997 39.297 -10.259 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 73.883 38.597 -9.509 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 22.486 55.035 59.123 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 22.910 55.871 59.318 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 22.118 54.752 59.961 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 36.215 37.756 28.165 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 36.322 37.268 27.349 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 37.087 38.103 28.353 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 49.457 43.177 -17.367 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 50.198 43.766 -17.221 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 49.584 42.471 -16.732 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 69.946 53.036 -12.664 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 69.982 52.089 -12.800 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 70.008 53.407 -13.544 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 49.425 27.064 -18.739 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 49.947 27.634 -18.173 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 48.628 27.564 -18.914 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 61.581 54.821 34.828 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 60.756 55.258 34.614 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 62.089 54.858 34.019 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 30.832 38.489 64.721 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 31.330 38.669 63.924 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 31.404 38.779 65.432 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 39.742 16.624 22.760 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 40.202 16.622 23.600 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 40.402 16.902 22.125 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 20.957 53.491 13.598 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 21.842 53.187 13.398 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 20.815 54.227 13.002 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 85.341 5.998 51.655 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 86.028 5.649 51.087 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 85.447 6.948 51.604 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 49.651 85.832 -17.676 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 48.996 86.461 -17.372 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 49.787 85.247 -16.931 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 36.806 37.661 40.634 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 36.788 37.363 39.725 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 35.889 37.827 40.851 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 44.361 52.525 -0.981 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 44.277 52.074 -0.141 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 43.869 53.338 -0.867 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 43.048 35.798 47.232 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 43.129 36.751 47.190 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 43.876 35.471 46.879 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 32.747 30.898 55.638 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 32.340 31.650 55.208 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 33.538 31.252 56.044 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 55.015 21.845 -10.265 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 55.614 22.473 -9.861 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 54.243 21.851 -9.699 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 50.067 90.229 61.974 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 50.848 90.780 61.928 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 49.973 89.870 61.092 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 32.821 86.099 45.451 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 32.580 85.513 44.733 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 32.007 86.549 45.677 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 83.482 93.627 -0.402 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 83.423 92.928 -1.053 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 84.157 93.330 0.208 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 78.697 58.314 -11.403 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 78.369 59.102 -10.970 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 78.893 57.711 -10.685 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 75.423 72.298 45.233 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 76.257 72.512 44.815 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 74.762 72.694 44.665 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 38.827 50.964 32.826 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 39.710 50.945 33.193 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 38.898 50.484 32.001 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 25.582 44.939 31.029 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 26.217 45.526 30.619 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 25.508 44.203 30.421 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 63.215 24.377 -16.578 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 62.997 25.251 -16.255 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 63.096 24.434 -17.526 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 70.978 17.844 43.842 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 71.350 18.075 42.991 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 70.517 17.020 43.687 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 27.036 21.127 39.848 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 27.292 20.244 40.114 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 27.194 21.666 40.624 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 79.198 26.528 42.900 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 79.025 27.237 42.281 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 78.390 26.451 43.409 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 31.036 29.611 18.497 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 30.478 29.140 19.116 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 31.787 29.033 18.362 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 49.193 2.222 5.550 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 49.829 2.633 4.965 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 48.366 2.661 5.352 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 27.654 41.151 -15.746 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 26.977 41.068 -15.075 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 27.801 42.093 -15.824 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 80.199 65.295 -10.447 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 80.052 65.738 -9.612 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 79.645 64.516 -10.406 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 33.771 42.179 13.635 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 34.403 41.542 13.968 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 34.089 43.023 13.957 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 38.848 57.953 12.717 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 39.073 57.963 13.647 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 39.631 57.611 12.285 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 38.822 54.843 -10.572 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 37.979 54.601 -10.188 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 39.265 55.339 -9.884 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 35.317 11.149 -4.155 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 35.401 11.459 -5.057 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 35.901 10.392 -4.106 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 37.842 16.313 41.289 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 36.916 16.073 41.239 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 37.838 17.265 41.384 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 64.827 56.334 38.865 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 65.097 57.251 38.901 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 64.716 56.153 37.931 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 29.434 94.855 23.096 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 29.927 94.919 23.914 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 29.575 93.955 22.801 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 47.869 76.518 -13.210 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 47.045 76.051 -13.347 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 48.390 75.930 -12.664 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 34.099 94.090 63.522 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 33.447 94.560 63.001 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 34.939 94.451 63.237 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 24.017 74.360 46.005 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 23.703 74.809 45.220 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 24.678 73.747 45.684 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 70.517 69.098 4.954 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 70.142 69.594 4.227 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 69.977 68.310 5.011 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 57.456 62.194 67.006 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 56.983 62.945 67.363 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 56.814 61.484 67.008 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 38.724 72.413 52.755 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 39.348 71.697 52.640 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 38.046 72.052 53.327 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 21.352 27.187 50.399 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 21.822 26.925 49.608 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 20.931 26.384 50.706 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 83.158 68.737 54.940 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 83.163 69.653 55.217 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 83.866 68.677 54.299 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 77.221 95.083 -8.706 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 77.515 95.256 -7.812 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 77.719 95.697 -9.246 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 81.517 57.879 51.739 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 81.075 57.329 51.093 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 82.373 57.468 51.859 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 78.897 40.620 -4.362 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 78.395 39.806 -4.417 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 78.706 40.961 -3.488 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 50.607 48.773 -0.393 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 49.994 49.459 -0.129 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 51.316 48.825 0.247 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 75.686 36.047 19.900 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 74.870 36.184 20.382 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 76.033 36.928 19.762 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 47.367 33.574 36.632 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 47.104 33.927 37.482 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 47.555 34.347 36.100 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 52.249 13.577 22.290 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 52.064 14.457 22.618 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 51.402 13.252 21.986 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 22.173 23.799 59.129 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 21.767 23.791 59.996 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 21.759 23.073 58.664 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 57.571 51.502 66.074 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 57.232 52.389 65.957 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 57.249 51.234 66.935 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 73.294 11.192 -17.685 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 72.965 10.707 -16.928 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 73.092 10.631 -18.434 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 71.195 72.968 59.140 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 72.031 73.313 58.827 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 70.588 73.119 58.415 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 30.437 49.874 62.577 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 30.439 49.047 63.059 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 31.287 50.268 62.773 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 87.160 68.333 -1.029 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 86.319 68.694 -0.747 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 87.435 67.771 -0.305 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 52.571 58.125 15.166 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 52.530 57.588 15.958 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 52.076 58.914 15.385 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 60.364 94.637 -3.351 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 59.856 94.447 -2.562 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 59.732 95.026 -3.955 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 44.272 52.968 -12.001 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 44.519 53.595 -12.680 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 44.889 52.244 -12.107 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 36.967 14.805 60.383 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 36.625 14.388 59.593 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 36.270 15.398 60.663 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 72.790 94.014 -11.866 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 72.365 93.369 -11.301 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 73.722 93.934 -11.663 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 67.935 4.575 0.009 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 67.582 4.779 0.875 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 68.868 4.780 0.076 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 31.312 39.545 27.745 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 32.154 39.423 27.307 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 31.489 39.342 28.664 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 61.179 3.919 38.521 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 62.135 3.969 38.528 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 60.899 4.575 39.159 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 82.867 3.249 66.897 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 83.807 3.406 66.805 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 82.492 4.116 67.050 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 42.887 83.619 25.661 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 42.750 82.859 25.097 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 42.014 83.836 25.988 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 72.364 2.829 46.760 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 71.732 3.068 46.082 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 71.856 2.322 47.393 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 77.163 76.888 9.824 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 76.760 76.364 10.516 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 77.407 77.707 10.254 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 35.443 69.712 52.312 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 34.679 69.204 52.039 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 35.881 69.946 51.494 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 45.251 17.156 63.715 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 45.477 16.980 62.801 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 45.082 16.292 64.091 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 87.810 13.190 -12.320 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 87.455 12.658 -11.609 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 87.470 14.070 -12.155 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 25.091 18.316 36.532 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 24.733 18.965 35.926 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 25.487 17.652 35.966 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 40.327 78.268 16.627 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 40.056 77.752 17.386 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 41.130 77.846 16.323 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 31.620 14.565 33.803 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 30.962 15.163 34.157 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 32.224 15.130 33.322 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 36.179 38.789 -2.651 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 36.889 38.161 -2.518 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 35.917 38.666 -3.563 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 43.717 64.668 36.071 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 44.119 65.516 35.880 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 43.357 64.379 35.232 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 27.974 48.901 2.819 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 27.138 49.356 2.717 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 28.506 49.208 2.085 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 53.251 8.471 -10.430 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 53.666 8.830 -11.214 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 53.110 7.546 -10.634 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 75.266 81.089 4.700 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 75.940 81.368 5.319 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 74.922 81.905 4.336 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 29.161 8.593 9.985 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 28.301 8.714 9.581 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 29.140 9.147 10.765 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 39.797 50.168 62.312 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 39.544 49.387 61.819 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 39.949 49.851 63.202 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 80.775 90.446 66.108 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 80.878 91.275 66.575 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 80.046 90.010 66.551 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 89.979 92.273 -14.290 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 90.179 92.382 -15.220 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 90.018 91.328 -14.145 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 87.680 86.879 53.261 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 87.793 86.145 52.657 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 88.544 87.000 53.655 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 61.570 7.266 58.724 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 61.258 6.748 59.466 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 61.520 6.670 57.977 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 35.358 91.709 17.407 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 35.772 91.656 18.268 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 35.971 92.218 16.877 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 89.405 84.313 -7.057 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 90.138 84.898 -6.867 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 89.804 83.562 -7.495 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 31.774 76.207 65.832 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 32.364 76.409 65.106 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 31.616 75.265 65.758 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 38.296 29.229 66.410 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 38.385 28.286 66.549 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 37.414 29.435 66.719 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 60.716 1.930 48.481 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 60.893 1.152 47.952 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 60.917 1.661 49.378 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 73.259 85.673 -8.588 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 73.481 86.562 -8.863 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 73.154 85.734 -7.639 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 41.615 54.269 4.968 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 41.302 53.601 5.579 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 42.569 54.197 5.001 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 24.024 89.770 28.074 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 23.958 88.974 27.547 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 23.698 90.464 27.501 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 80.279 43.834 53.945 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 80.640 44.713 53.830 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 79.364 43.913 53.674 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 42.178 89.265 41.096 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 41.352 88.964 41.475 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 42.800 88.564 41.288 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 66.778 27.885 54.172 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 66.718 28.601 54.805 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 65.953 27.409 54.270 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 77.859 41.672 -2.017 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 78.225 41.376 -1.184 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 76.913 41.569 -1.913 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 27.280 81.753 25.045 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 27.996 81.230 24.685 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 27.638 82.128 25.850 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 46.764 60.753 56.850 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 46.735 60.703 55.894 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 45.913 61.115 57.097 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 61.560 89.379 53.997 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 60.688 89.286 53.614 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 62.156 89.079 53.311 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 62.677 40.589 -13.506 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 62.402 40.879 -14.376 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 63.241 39.834 -13.673 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 78.538 25.793 52.557 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 78.806 25.349 53.362 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 79.320 25.783 52.005 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 56.114 1.251 66.549 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 55.636 0.573 66.071 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 55.673 1.304 67.397 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 36.655 29.832 17.119 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 36.092 29.978 17.879 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 37.238 30.591 17.104 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 85.796 60.311 40.680 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 86.542 60.540 40.126 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 85.241 59.766 40.122 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 27.449 74.340 15.473 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 28.062 74.704 14.834 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 27.747 73.440 15.606 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 23.872 45.674 46.690 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 23.324 46.232 46.139 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 24.180 46.254 47.387 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 28.782 31.481 -12.969 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 29.369 30.733 -13.080 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 29.299 32.236 -13.249 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 23.413 82.553 33.029 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 22.746 83.188 32.769 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 22.982 81.702 32.942 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 73.469 89.835 -9.642 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 73.698 88.952 -9.933 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 72.594 89.986 -9.998 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 59.056 43.373 3.716 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 58.915 42.596 4.258 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 58.314 43.943 3.916 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 54.086 69.242 7.895 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 53.200 68.986 8.152 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 54.574 69.278 8.718 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 22.877 47.183 -10.927 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 22.366 47.986 -11.029 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 23.562 47.412 -10.298 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 55.568 28.452 -14.914 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 54.719 28.012 -14.950 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 55.477 29.198 -15.506 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 28.013 39.427 52.359 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 27.438 39.611 51.616 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 27.959 40.212 52.904 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 39.253 14.550 5.619 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 38.418 14.623 6.081 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 39.031 14.137 4.785 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 90.417 56.718 61.386 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 90.931 56.287 62.069 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 90.128 56.005 60.817 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 85.398 40.356 27.406 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 85.668 40.061 26.536 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 84.442 40.296 27.393 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 55.058 2.281 20.531 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 54.953 2.432 21.471 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 54.939 3.144 20.135 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 85.131 59.716 49.287 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 85.433 59.384 50.132 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 85.764 59.376 48.655 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 44.764 44.001 34.090 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 45.094 44.819 33.716 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 44.811 43.372 33.370 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 80.000 18.739 -11.751 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 79.113 18.421 -11.583 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 79.983 19.654 -11.469 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 31.659 39.773 -17.633 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 32.614 39.774 -17.702 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 31.442 40.644 -17.299 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 21.009 78.533 17.392 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 20.504 77.767 17.120 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 20.597 78.815 18.209 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 49.868 15.126 0.334 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 49.476 15.991 0.451 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 50.788 15.246 0.571 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 29.300 55.900 18.712 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 29.393 56.218 17.814 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 30.194 55.889 19.056 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 41.124 86.007 -15.622 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 41.046 86.530 -14.824 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 41.361 85.132 -15.314 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 53.847 96.661 38.148 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 52.972 96.324 37.959 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 54.280 95.951 38.623 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 79.073 30.351 57.046 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 79.385 30.622 56.182 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 79.866 30.094 57.517 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 80.618 30.733 42.265 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 80.469 30.595 41.330 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 79.751 30.646 42.661 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 46.380 65.014 5.183 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 47.314 64.852 5.052 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 46.346 65.707 5.842 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 27.778 1.689 39.956 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 27.956 2.617 39.801 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 27.043 1.684 40.569 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 33.771 9.235 22.689 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 33.922 9.167 21.746 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 34.165 8.442 23.053 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 39.642 19.860 8.696 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 39.755 18.989 8.316 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 38.840 19.794 9.214 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 65.017 31.141 7.140 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 64.947 30.187 7.173 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 64.344 31.452 7.746 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 72.527 48.736 -11.181 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 71.772 48.218 -10.900 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 72.954 48.999 -10.366 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 38.900 24.811 -3.378 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 38.551 25.642 -3.055 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 39.652 24.631 -2.814 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 64.691 74.064 57.241 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 65.023 74.942 57.050 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 63.882 73.998 56.734 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 21.749 44.259 2.722 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 21.689 44.999 3.327 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 20.960 43.745 2.892 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 57.916 67.154 25.299 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 57.954 66.459 24.642 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 57.924 67.965 24.791 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 51.988 26.376 -3.930 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 51.405 26.883 -4.495 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 51.829 26.720 -3.051 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 73.835 21.782 40.650 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 74.014 21.324 41.472 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 74.684 21.829 40.211 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 43.342 53.719 -16.096 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 42.870 54.539 -16.241 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 43.037 53.413 -15.242 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 36.724 29.752 23.266 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 37.619 30.082 23.346 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 36.211 30.513 22.994 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 27.683 36.549 49.649 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 28.215 37.095 49.070 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 28.123 35.699 49.648 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 30.752 42.368 -19.402 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 31.217 42.883 -18.743 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 29.828 42.458 -19.168 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 44.178 30.040 -2.831 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 45.023 30.116 -3.273 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 44.290 29.306 -2.226 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 73.162 72.634 -7.192 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 73.873 72.511 -6.563 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 72.692 71.800 -7.188 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 38.992 16.579 -3.544 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 38.409 17.337 -3.575 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 39.870 16.947 -3.643 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 55.763 43.115 62.980 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 55.201 42.892 63.722 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 55.913 44.057 63.067 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 49.411 58.658 -5.423 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 49.122 57.756 -5.282 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 50.287 58.691 -5.039 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 68.717 45.786 64.756 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 69.293 46.542 64.868 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 68.818 45.284 65.565 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 42.860 18.873 57.447 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 42.584 19.611 56.904 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 43.058 18.176 56.821 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 45.268 8.946 -8.879 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 45.101 9.337 -8.022 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 44.580 8.290 -8.983 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 47.805 48.222 43.783 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 48.729 48.012 43.919 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 47.728 48.370 42.841 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 63.589 58.937 56.809 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 63.623 59.041 55.858 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 63.645 57.992 56.949 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 64.832 34.159 0.704 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 64.201 33.512 1.021 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 64.701 34.919 1.271 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 37.652 19.215 42.703 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 37.521 19.698 41.887 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 36.824 19.310 43.173 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 35.319 65.538 -1.636 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 34.755 65.070 -1.020 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 36.201 65.221 -1.442 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 79.690 79.519 53.974 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 78.850 79.823 53.631 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 79.612 79.618 54.923 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 35.679 28.156 52.040 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 35.612 27.381 51.482 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 34.773 28.374 52.257 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 26.472 41.344 -18.476 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 27.102 40.906 -19.048 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 26.723 41.075 -17.592 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 24.392 19.677 -11.526 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 24.856 19.208 -10.832 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 23.596 20.002 -11.106 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 35.570 34.795 24.602 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 35.326 34.640 23.690 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 34.954 34.266 25.109 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 85.112 4.336 45.652 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 85.379 4.579 46.538 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 85.899 3.956 45.260 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 37.163 1.027 40.272 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 37.691 1.718 39.874 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 36.432 0.904 39.666 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 71.360 15.643 1.025 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 70.510 15.789 0.610 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 71.186 15.727 1.963 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 26.058 23.711 13.822 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 26.338 23.288 13.010 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 25.145 23.444 13.930 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 61.054 3.715 62.260 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 60.753 2.945 61.779 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 61.890 3.448 62.641 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 30.066 41.740 33.981 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 30.779 41.643 34.613 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 30.368 42.422 33.382 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 63.540 5.528 -5.185 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 64.416 5.739 -4.862 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 63.340 6.226 -5.809 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 44.494 13.078 -6.713 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 44.031 12.331 -6.334 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 44.343 13.001 -7.655 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 34.868 89.628 63.562 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 35.421 89.680 62.782 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 35.052 90.435 64.042 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 55.428 29.569 52.486 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 54.908 28.766 52.435 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 56.279 29.327 52.120 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 87.782 28.294 39.998 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 88.368 27.671 39.568 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 87.088 27.752 40.373 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 30.619 73.638 66.202 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 30.156 72.967 65.701 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 30.785 73.231 67.052 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 33.483 48.831 56.391 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 34.300 48.396 56.634 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 33.580 49.021 55.458 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 72.287 48.203 6.377 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 71.467 48.007 6.831 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 72.262 49.149 6.233 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 23.621 48.062 34.654 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 22.949 47.628 34.128 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 23.199 48.861 34.971 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 63.066 81.066 -9.582 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 63.226 81.940 -9.226 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 63.820 80.549 -9.299 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 21.347 53.704 8.616 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 20.997 54.568 8.399 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 22.078 53.583 8.010 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 44.101 39.184 27.717 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 44.501 39.244 26.850 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 44.178 38.260 27.954 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 23.211 17.095 -7.365 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 23.519 16.548 -8.087 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 23.968 17.176 -6.785 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 28.249 13.441 34.204 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 27.373 13.793 34.044 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 28.790 14.211 34.378 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 56.922 22.748 8.351 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 56.434 23.546 8.557 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 56.841 22.208 9.138 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 69.156 19.897 61.496 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 69.579 19.351 60.834 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 69.744 19.859 62.251 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 76.339 56.019 21.750 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 75.732 55.794 22.456 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 75.847 56.624 21.195 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 22.609 88.246 -8.286 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 22.760 88.914 -8.955 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 21.664 88.093 -8.309 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 69.638 8.424 -18.382 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 68.819 8.562 -18.857 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 69.487 7.630 -17.868 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 65.708 88.287 53.073 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 64.930 88.727 52.732 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 66.268 88.161 52.307 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 71.842 63.171 -9.437 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 71.457 63.673 -10.155 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 71.091 62.882 -8.917 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 68.528 38.303 22.611 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 67.811 37.778 22.966 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 69.090 37.669 22.164 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 66.097 50.433 32.502 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 65.703 51.040 31.876 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 66.422 49.710 31.964 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 35.998 81.577 1.039 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 36.694 81.582 1.696 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 36.413 81.224 0.252 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 44.966 53.134 37.427 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 45.625 52.700 37.968 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 44.129 52.885 37.820 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 58.876 31.252 31.417 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 57.929 31.376 31.355 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 59.223 31.645 30.616 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 58.381 78.896 20.890 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 58.902 78.957 20.090 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 57.582 78.442 20.622 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 51.698 74.610 66.345 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 50.831 74.926 66.599 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 51.856 75.004 65.487 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 59.162 85.771 -15.911 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 59.197 85.438 -16.808 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 58.789 85.051 -15.402 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 25.248 17.932 65.569 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 25.385 18.732 66.077 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 25.070 18.240 64.680 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 65.616 35.714 -18.663 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 64.847 35.157 -18.787 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 65.256 36.587 -18.506 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 58.884 56.719 61.522 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 58.914 57.376 62.218 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 58.727 57.223 60.724 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 63.981 63.981 49.453 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 63.628 64.839 49.688 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 63.274 63.556 48.967 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 73.652 24.681 47.897 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 73.486 25.606 47.714 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 72.854 24.234 47.613 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 72.967 67.781 -19.491 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 72.757 66.862 -19.325 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 72.901 68.202 -18.634 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 37.395 -0.306 -9.003 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 36.842 0.440 -9.235 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 38.267 0.069 -8.884 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 22.868 61.864 58.119 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 22.605 61.428 57.308 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 23.685 62.311 57.897 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 61.879 19.061 11.852 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 60.947 19.278 11.848 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 61.969 18.400 12.539 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 82.174 33.279 29.880 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 82.216 33.801 30.681 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 81.238 33.193 29.697 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 31.413 30.145 45.035 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 31.855 29.994 45.871 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 30.847 30.900 45.196 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 78.404 86.857 39.423 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 77.989 86.077 39.793 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 78.104 86.878 38.514 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 75.118 94.421 59.398 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 75.336 95.203 58.892 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 74.558 94.740 60.105 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 52.485 94.466 -17.579 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 53.043 95.075 -17.095 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 52.222 93.814 -16.929 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 60.244 62.546 66.598 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 59.287 62.536 66.598 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 60.491 61.821 67.173 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 43.376 33.546 39.909 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 43.283 34.474 40.126 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 42.846 33.431 39.120 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 32.044 94.168 19.810 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 31.554 94.990 19.815 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 31.576 93.606 20.427 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 69.384 14.023 65.615 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 69.952 13.738 66.331 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 69.770 13.630 64.832 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 48.016 12.116 -7.788 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 47.742 13.004 -7.558 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 48.857 12.002 -7.345 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 45.413 49.393 32.804 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 45.010 49.413 31.936 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 45.042 48.617 33.223 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 82.061 38.553 -5.943 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 81.702 39.229 -5.368 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 82.430 37.902 -5.348 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 63.702 70.314 60.266 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 64.063 71.193 60.158 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 64.411 69.728 60.002 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 52.210 51.413 62.876 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 52.798 50.902 62.319 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 52.755 51.683 63.615 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 31.772 70.135 42.435 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 32.359 69.959 41.700 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 30.911 69.852 42.128 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 26.445 29.377 44.078 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 26.972 28.890 43.445 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 25.835 29.884 43.542 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 41.833 35.687 -1.880 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 41.990 34.974 -1.261 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 42.558 36.295 -1.733 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 33.325 77.079 -3.369 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 33.260 76.493 -4.123 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 33.500 76.500 -2.628 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 39.547 18.738 39.088 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 38.996 17.975 38.911 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 39.608 19.191 38.247 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 67.238 46.059 47.057 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 66.534 45.426 46.914 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 67.976 45.715 46.555 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 30.232 92.507 34.577 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 29.575 92.040 35.093 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 29.747 92.857 33.830 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 24.974 75.888 43.176 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 24.296 75.439 42.672 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 25.383 76.485 42.548 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 87.907 45.096 45.731 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 87.090 45.344 46.164 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 87.696 44.287 45.265 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 85.567 91.029 42.729 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 85.975 90.348 42.193 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 86.296 91.431 43.202 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 79.508 44.301 56.704 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 79.949 44.181 55.864 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 80.219 44.383 57.340 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 63.667 36.951 52.258 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 64.013 37.288 53.085 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 63.687 36.000 52.360 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 87.471 32.051 11.532 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 88.342 31.962 11.917 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 86.891 31.593 12.140 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 22.572 76.901 51.628 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 22.401 76.386 52.417 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 21.768 76.827 51.114 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 54.802 62.382 -3.008 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 54.293 62.124 -2.240 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 55.528 62.895 -2.654 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 30.253 15.104 24.813 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 29.813 15.098 23.963 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 30.021 15.949 25.198 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 45.608 36.145 27.084 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 45.428 36.296 26.157 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 44.769 36.292 27.519 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 41.942 87.285 0.922 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 42.490 87.015 1.659 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 42.302 88.130 0.653 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 64.670 13.999 34.621 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 65.009 14.849 34.342 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 63.956 13.813 34.011 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 71.381 94.551 -14.126 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 71.874 94.431 -13.314 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 71.200 93.662 -14.430 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 89.381 34.581 34.977 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 89.779 35.141 34.310 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 89.928 33.795 34.988 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 41.182 50.205 -4.128 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 41.005 49.283 -3.942 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 40.852 50.672 -3.361 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 64.581 63.812 -13.784 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 64.404 64.027 -12.868 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 63.790 63.363 -14.082 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 30.668 43.080 38.927 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 31.119 42.623 38.217 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 30.584 43.981 38.617 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 23.678 85.981 34.007 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 23.619 86.821 34.462 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 24.006 85.372 34.669 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 64.367 40.191 25.660 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 64.182 41.039 26.063 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 63.971 40.246 24.791 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 23.430 15.185 -2.597 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 23.917 15.167 -3.422 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 24.037 15.578 -1.969 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 85.110 45.024 36.378 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 84.960 44.390 35.676 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 85.520 44.515 37.077 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 34.455 71.035 27.123 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 35.171 70.636 26.629 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 33.850 71.354 26.454 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 46.606 79.282 50.800 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 47.362 79.537 50.272 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 46.983 78.943 51.612 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 45.298 16.884 46.115 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 45.063 16.357 45.351 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 46.079 17.365 45.844 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 21.533 30.992 -13.179 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 21.244 30.849 -14.080 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 22.488 30.938 -13.222 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 56.242 37.460 66.893 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 55.648 37.751 66.201 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 56.173 38.134 67.569 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 20.972 24.531 37.292 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 20.485 25.308 37.020 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 21.655 24.431 36.629 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 47.415 46.682 63.836 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 47.194 45.834 64.222 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 46.853 47.308 64.292 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 69.024 52.127 16.409 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 68.559 51.339 16.689 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 68.404 52.840 16.565 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 39.091 50.921 38.569 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 39.966 50.727 38.904 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 38.961 51.850 38.759 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 26.900 90.501 53.949 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 27.690 90.192 53.505 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 26.958 90.130 54.829 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 46.828 40.262 33.426 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 46.571 40.615 32.574 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 47.451 39.565 33.219 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 50.405 57.368 7.144 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 50.736 57.902 7.866 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 51.173 57.197 6.600 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 47.571 27.098 46.901 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 48.302 27.620 47.232 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 47.343 27.507 46.067 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 58.078 83.934 61.589 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 57.730 83.064 61.783 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 57.517 84.267 60.888 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 36.445 50.897 25.938 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 36.458 50.468 25.082 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 37.366 50.948 26.194 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 23.854 44.543 18.509 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 23.593 43.702 18.884 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 24.464 44.911 19.149 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 72.516 43.303 37.797 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 73.057 42.749 38.360 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 71.619 43.142 38.092 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 60.529 30.198 -10.404 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 60.004 29.402 -10.322 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 59.889 30.910 -10.377 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 75.596 38.612 -2.326 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 75.030 39.262 -2.744 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 75.496 38.774 -1.388 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 40.973 39.917 -15.963 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 41.463 40.719 -15.782 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 40.298 39.891 -15.285 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 57.686 93.529 11.775 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 56.798 93.855 11.918 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 57.913 93.829 10.895 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 79.451 79.672 47.578 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 79.331 79.729 46.630 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 80.309 79.262 47.688 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 66.123 38.787 42.756 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 65.477 38.417 42.153 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 65.605 39.292 43.382 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 67.379 47.364 61.894 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 68.221 47.700 61.587 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 66.730 47.810 61.350 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 56.216 7.573 49.425 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 56.253 8.203 50.145 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 56.890 6.927 49.637 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 78.333 44.405 3.090 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 78.857 44.338 3.888 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 78.895 44.872 2.472 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 65.486 9.647 -4.349 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 65.031 10.174 -3.692 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 65.607 10.239 -5.091 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 86.824 92.014 8.694 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 87.627 91.868 8.195 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 86.690 92.961 8.662 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 23.927 23.236 -1.274 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 24.117 23.912 -0.624 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 23.573 23.716 -2.023 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 56.036 63.928 20.200 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 56.826 64.299 19.806 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 55.846 63.152 19.673 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 53.620 9.803 -15.878 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 52.744 9.702 -16.251 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 54.116 10.266 -16.554 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 67.262 43.425 48.841 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 67.582 42.964 48.066 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 66.580 44.009 48.509 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 85.610 44.786 -15.443 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 85.539 45.259 -14.614 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 84.871 45.104 -15.964 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 23.099 93.991 -19.624 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 22.732 93.908 -20.504 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 22.910 93.151 -19.205 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 59.009 47.284 40.946 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 59.967 47.279 40.955 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 58.776 48.207 40.840 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 21.240 67.560 -9.148 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 22.189 67.685 -9.139 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 21.009 67.546 -10.077 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 72.386 51.762 -5.981 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 72.773 51.670 -5.110 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 71.469 51.979 -5.814 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 27.637 42.786 -12.344 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 26.843 43.180 -11.983 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 28.304 42.936 -11.674 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 69.743 54.371 11.893 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 69.900 54.149 12.811 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 69.036 53.785 11.622 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 39.244 56.116 63.155 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 38.446 55.783 62.746 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 39.477 55.452 63.804 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 41.476 52.450 32.501 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 42.265 52.613 31.983 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 41.026 53.295 32.524 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 24.008 57.552 1.697 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 23.516 56.982 1.106 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 24.921 57.444 1.430 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 56.391 76.722 55.417 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 57.142 77.303 55.296 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 55.802 77.209 55.993 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 45.726 15.033 2.791 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 45.133 15.663 2.383 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 45.531 15.090 3.726 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 53.373 54.775 48.021 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 54.267 54.455 47.904 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 52.971 54.684 47.157 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 30.731 28.769 51.009 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 31.100 27.974 50.624 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 30.153 28.453 51.704 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 85.550 82.320 46.083 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 85.638 82.821 45.272 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 84.611 82.150 46.159 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 33.665 4.195 53.737 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 34.289 4.902 53.568 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 33.765 3.603 52.992 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 47.358 67.270 -13.905 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 47.217 66.611 -13.226 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 46.730 67.045 -14.592 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 22.827 83.049 58.951 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 23.480 83.701 59.202 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 22.869 82.388 59.642 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 62.914 27.279 44.688 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 62.330 26.613 44.325 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 62.385 28.077 44.706 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 47.014 47.787 46.623 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 47.448 47.847 45.772 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 47.315 48.560 47.101 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 51.782 66.992 47.885 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 52.601 67.408 47.615 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 51.973 66.054 47.869 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 41.133 69.942 -11.148 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 40.846 69.058 -11.376 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 41.334 69.896 -10.213 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 31.474 90.050 59.388 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 31.595 90.981 59.578 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 31.332 90.016 58.442 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 80.036 41.571 8.521 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 79.141 41.498 8.853 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 80.099 42.469 8.197 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 75.097 62.001 57.903 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 74.325 62.437 57.545 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 75.399 62.582 58.601 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 49.175 20.445 30.055 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 48.660 21.230 30.244 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 48.997 20.258 29.133 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 27.849 8.731 -4.395 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 27.639 9.521 -3.896 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 27.429 8.864 -5.244 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 25.141 91.664 12.950 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 25.253 90.789 12.579 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 24.593 91.529 13.723 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 41.152 17.928 54.878 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 41.554 18.796 54.871 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 41.734 17.390 54.340 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 74.853 55.966 49.044 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 75.480 55.244 49.013 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 74.244 55.786 48.327 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 21.317 10.444 35.721 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 20.433 10.811 35.726 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 21.703 10.756 34.903 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 33.598 31.544 35.929 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 34.092 32.309 36.225 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 34.222 31.044 35.403 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 49.578 2.885 55.852 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 48.642 2.744 55.998 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 49.921 2.018 55.637 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 55.185 94.737 34.817 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 55.494 93.834 34.751 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 54.524 94.715 35.510 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 24.360 82.096 -11.483 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 25.121 81.558 -11.266 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 23.712 81.474 -11.814 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 66.968 0.940 49.965 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 66.909 0.015 49.726 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 66.496 1.004 50.795 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 35.682 34.014 -7.972 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 36.297 34.726 -8.147 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 35.317 34.217 -7.111 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 82.248 2.027 62.070 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 81.943 1.821 62.953 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 82.897 2.719 62.195 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 34.120 21.727 -16.829 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 34.917 21.440 -16.385 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 33.526 20.979 -16.765 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 44.822 91.011 -11.639 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 45.709 90.731 -11.413 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 44.265 90.600 -10.978 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 81.240 94.708 -8.677 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 80.992 94.496 -9.577 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 80.473 94.474 -8.155 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 70.208 79.396 -11.668 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 69.365 78.995 -11.878 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 70.836 78.676 -11.718 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 86.734 37.731 51.176 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 86.660 38.588 51.597 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 86.035 37.209 51.570 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 86.659 44.983 58.590 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 86.433 45.556 59.323 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 86.186 44.170 58.767 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 40.698 84.739 -0.898 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 40.565 85.342 -1.629 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 40.379 85.216 -0.132 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 73.895 29.174 15.768 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 73.164 29.209 15.150 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 73.830 29.991 16.263 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 68.949 43.725 38.173 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 69.108 44.393 37.505 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 68.452 44.180 38.853 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 41.786 79.364 41.924 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 41.909 79.806 41.085 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 42.224 78.520 41.818 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 36.735 21.889 -9.264 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 35.883 21.694 -9.656 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 36.811 22.841 -9.317 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 23.648 76.786 18.553 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 23.658 76.137 19.256 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 22.761 77.144 18.569 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 23.838 10.625 66.284 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 24.167 9.780 65.976 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 24.491 10.920 66.920 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 60.461 48.357 43.935 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 59.941 47.785 43.371 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 61.369 48.140 43.725 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 71.596 55.820 40.006 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 71.224 56.625 39.644 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 71.213 55.120 39.477 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 41.837 26.231 50.607 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 41.371 25.408 50.458 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 41.702 26.731 49.802 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 24.905 78.770 10.173 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 23.988 78.503 10.105 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 25.125 78.640 11.095 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 74.767 56.451 -11.560 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 74.544 57.020 -12.297 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 74.143 56.690 -10.875 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 48.818 3.334 0.496 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 48.177 3.976 0.188 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 48.628 3.234 1.429 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 88.583 40.428 62.560 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 88.556 40.878 61.716 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 89.420 40.687 62.944 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 30.106 47.897 -1.780 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 29.782 47.101 -2.202 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 30.948 48.067 -2.202 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 39.513 94.297 -11.644 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 39.442 94.132 -12.584 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 40.446 94.203 -11.453 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 58.373 27.622 -15.818 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 58.610 28.384 -16.346 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 57.587 27.894 -15.343 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 54.593 14.727 31.170 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 53.914 15.361 31.403 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 54.926 15.031 30.326 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 37.476 79.804 53.704 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 38.028 80.565 53.520 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 37.020 79.633 52.880 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 54.960 90.707 58.234 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 55.495 90.076 57.753 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 55.406 90.808 59.075 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 36.216 50.842 64.372 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 35.574 50.704 65.069 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 35.690 51.056 63.601 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 87.902 47.402 42.320 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 87.047 47.201 42.702 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 87.698 47.811 41.479 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 57.885 55.665 52.430 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 57.229 55.556 53.119 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 57.519 56.337 51.855 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 38.871 20.611 37.102 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 38.795 21.403 37.634 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 39.617 20.780 36.525 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 50.671 29.778 66.434 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 50.317 30.647 66.242 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 50.207 29.500 67.224 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 83.384 25.309 -12.459 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 84.120 25.523 -13.033 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 82.890 26.125 -12.387 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 48.809 89.117 -13.245 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 48.500 89.991 -13.007 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 48.206 88.827 -13.929 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 44.818 63.634 8.406 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 45.099 64.055 9.219 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 45.510 63.001 8.212 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 74.506 27.747 47.690 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 75.265 27.164 47.692 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 74.792 28.511 47.188 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 50.783 20.076 34.223 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 50.308 19.257 34.083 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 50.811 20.488 33.360 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 42.929 87.477 -4.640 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 42.780 88.064 -5.381 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 43.150 86.636 -5.041 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 60.793 9.563 59.911 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 61.576 9.838 60.388 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 61.039 8.731 59.506 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 42.897 57.375 -19.585 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 43.256 56.917 -18.825 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 43.505 58.098 -19.739 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 48.469 40.937 -16.163 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 47.977 41.341 -16.878 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 47.870 40.285 -15.799 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 35.164 69.246 19.777 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 35.611 69.651 20.520 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 35.339 68.310 19.871 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 69.614 21.612 -12.387 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 70.334 21.316 -11.829 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 69.034 22.091 -11.796 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 75.472 40.144 32.968 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 75.165 40.941 33.400 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 75.526 40.379 32.042 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 21.966 27.421 12.121 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 21.338 26.929 12.650 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 22.147 28.209 12.633 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 67.827 14.062 38.327 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 68.454 14.159 39.043 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 67.527 14.954 38.148 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 56.944 18.156 43.400 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 57.809 18.533 43.238 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 56.361 18.913 43.461 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 27.990 43.043 48.291 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 27.604 43.222 47.433 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 28.161 43.909 48.663 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 67.874 8.862 -7.965 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 67.348 9.465 -7.439 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 68.780 9.105 -7.773 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 79.047 9.730 52.733 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 78.526 10.474 52.430 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 78.528 8.961 52.495 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 68.950 35.320 62.493 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 68.204 35.001 61.985 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 69.705 35.185 61.921 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 28.310 7.582 41.335 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 27.844 7.061 40.680 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 28.046 7.205 42.174 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 84.699 34.123 35.562 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 85.070 34.859 35.075 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 85.117 33.350 35.184 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 31.855 26.734 -8.446 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 32.743 26.463 -8.210 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 31.947 27.647 -8.717 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 71.499 40.149 28.133 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 71.580 39.428 27.508 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 71.070 40.848 27.640 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 45.245 24.348 34.508 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 44.844 24.543 33.661 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 45.917 25.021 34.616 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 27.450 57.581 62.477 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 27.357 57.968 63.347 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 26.600 57.175 62.303 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 85.928 41.414 -2.434 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 85.016 41.202 -2.233 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 86.129 42.164 -1.874 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 46.626 72.451 61.311 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 45.993 71.982 60.768 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 46.907 73.189 60.770 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 33.547 8.574 40.453 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 32.688 8.215 40.679 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 33.373 9.488 40.227 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 84.644 27.423 26.796 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 84.201 27.984 27.433 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 84.187 27.590 25.971 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 90.909 26.159 17.042 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 90.917 25.234 16.795 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 89.992 26.420 16.965 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 51.009 42.638 54.823 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 51.129 42.344 55.726 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 51.012 43.594 54.880 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 22.545 65.482 36.796 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 23.499 65.549 36.820 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 22.237 66.351 37.055 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 20.685 81.504 11.272 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 21.237 80.935 11.808 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 19.799 81.363 11.608 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 58.681 48.071 67.131 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 59.016 48.906 67.457 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 58.251 48.291 66.304 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 43.013 68.077 58.028 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 43.736 67.805 58.594 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 43.355 67.981 57.139 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 29.622 12.317 41.595 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 29.010 13.034 41.760 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 30.187 12.301 42.366 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 34.704 39.773 63.516 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 34.485 39.596 64.431 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 35.147 40.622 63.535 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 21.628 12.088 -19.531 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 21.452 11.237 -19.933 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 20.827 12.297 -19.052 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 56.393 16.146 29.466 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 56.319 17.075 29.682 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 56.552 16.131 28.522 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 45.604 14.177 33.473 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 45.862 13.293 33.213 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 45.682 14.695 32.671 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 40.696 48.449 58.327 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 40.263 49.089 57.762 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 40.069 48.291 59.033 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 49.538 2.882 27.206 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 49.970 3.734 27.266 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 48.640 3.048 27.493 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 41.766 43.138 3.481 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 42.672 43.429 3.577 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 41.243 43.922 3.647 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 81.638 13.844 59.001 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 82.481 14.037 59.411 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 81.632 14.372 58.203 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 89.140 36.025 13.775 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 88.418 35.396 13.773 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 89.038 36.505 14.597 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 22.134 33.100 59.787 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 21.843 33.344 58.908 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 22.543 32.242 59.673 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 40.026 47.920 -1.891 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 39.891 47.134 -1.362 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 40.617 48.462 -1.368 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 23.313 54.551 23.547 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 23.662 54.305 22.691 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 23.556 55.471 23.650 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 49.787 68.397 -15.332 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 49.087 67.850 -14.978 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 50.560 68.160 -14.818 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 25.218 20.557 4.277 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 25.387 21.171 3.562 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 26.027 20.556 4.788 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 51.198 45.500 40.692 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 50.300 45.826 40.633 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 51.482 45.411 39.783 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 62.537 59.343 64.306 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 61.854 58.941 63.769 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 62.146 59.412 65.178 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 72.474 25.887 -19.612 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 72.021 25.449 -20.333 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 73.255 26.268 -20.015 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 35.232 6.257 47.794 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 35.986 6.636 47.342 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 34.871 5.627 47.171 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 71.013 53.290 6.432 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 70.446 53.182 5.669 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 70.414 53.292 7.179 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 47.378 95.487 48.289 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 47.455 95.313 47.351 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 48.051 96.144 48.467 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 56.303 89.534 0.762 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 55.945 89.230 1.597 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 56.083 88.840 0.141 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 40.165 20.784 -15.746 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 40.107 21.179 -14.876 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 39.737 21.415 -16.325 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 78.427 30.698 35.361 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 78.135 31.609 35.366 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 77.746 30.230 34.877 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 32.938 13.461 -0.250 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 33.040 13.155 0.651 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 32.908 12.661 -0.774 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 51.734 34.474 51.948 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 50.833 34.782 52.042 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 51.969 34.690 51.045 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 72.473 37.077 -2.380 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 71.785 37.429 -2.945 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 72.450 37.631 -1.600 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 56.161 72.112 54.317 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 56.906 71.636 54.685 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 55.402 71.777 54.794 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 62.802 46.050 0.998 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 62.288 46.068 1.805 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 62.165 45.854 0.311 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 26.777 29.908 -12.492 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 27.544 30.472 -12.594 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 27.009 29.102 -12.952 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 51.852 10.928 48.927 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 51.333 10.580 49.653 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 52.532 10.270 48.782 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 28.140 53.779 -10.975 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 28.173 54.713 -10.766 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 28.555 53.711 -11.835 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 89.612 39.666 -3.915 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 90.485 39.508 -3.557 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 89.746 40.331 -4.590 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 42.343 43.103 51.597 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 41.526 42.720 51.278 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 42.466 43.887 51.062 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 87.196 63.585 -3.840 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 87.964 63.059 -4.063 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 86.627 63.517 -4.607 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 45.082 49.738 49.875 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 44.784 49.360 49.047 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 46.014 49.522 49.915 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 85.424 47.075 49.768 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 85.310 46.126 49.714 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 85.852 47.218 50.612 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 48.228 57.238 49.119 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 47.757 57.766 48.474 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 48.530 57.869 49.772 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 74.161 25.351 -6.925 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 74.238 26.218 -6.528 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 74.425 24.745 -6.232 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 76.216 54.001 -3.397 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 75.345 54.263 -3.098 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 76.818 54.460 -2.812 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 49.552 16.605 -7.711 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 49.004 17.091 -8.328 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 48.959 15.970 -7.312 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 79.638 71.921 35.998 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 79.702 71.321 35.255 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 79.516 72.784 35.600 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 68.622 17.395 51.743 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 68.452 16.743 51.063 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 69.334 17.022 52.262 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 59.117 57.946 64.707 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 59.003 56.996 64.712 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 58.987 58.208 65.619 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 44.616 5.210 22.299 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 44.333 5.399 23.194 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 43.803 5.051 21.819 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 90.767 88.713 18.160 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 90.283 89.361 18.671 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 91.130 88.115 18.814 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 80.677 64.615 -13.110 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 80.593 65.015 -12.245 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 81.561 64.246 -13.119 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 51.739 72.661 64.549 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 51.873 73.016 65.427 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 50.793 72.531 64.484 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 49.161 92.413 -3.729 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 48.793 92.024 -2.936 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 49.784 91.760 -4.050 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 62.330 3.684 7.636 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 62.588 4.496 7.199 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 61.378 3.750 7.721 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 30.577 80.517 51.371 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 31.385 80.608 51.876 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 30.601 79.620 51.038 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 44.741 15.084 28.827 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 44.977 15.533 28.015 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 44.793 14.153 28.609 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 41.090 39.698 25.888 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 41.169 40.637 26.057 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 41.857 39.484 25.356 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 21.557 23.469 44.523 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 22.309 23.918 44.910 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 20.919 23.413 45.235 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 81.421 84.217 53.546 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 81.229 83.370 53.145 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 82.056 84.624 52.957 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 68.685 34.967 18.628 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 68.456 35.379 17.795 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 67.981 35.222 19.224 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 66.547 4.157 43.488 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 67.213 4.840 43.574 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 65.751 4.552 43.844 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 46.431 73.447 0.280 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 46.297 72.812 0.984 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 47.337 73.311 0.004 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 87.674 21.708 -12.170 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 87.932 22.425 -11.591 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 86.735 21.835 -12.304 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 67.175 85.154 52.663 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 67.873 85.473 53.235 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 67.533 84.358 52.269 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 86.907 75.882 -11.293 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 86.257 75.679 -10.619 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 86.919 76.838 -11.334 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 48.278 2.174 23.069 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 47.743 2.338 22.292 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 47.708 2.395 23.805 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 27.320 66.151 -7.187 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 27.076 67.053 -6.980 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 27.269 65.690 -6.349 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 38.340 9.973 4.642 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 38.022 10.468 5.397 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 37.556 9.560 4.278 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 86.410 50.446 45.517 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 86.478 50.184 46.435 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 85.750 51.139 45.514 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 52.396 9.932 13.010 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 53.252 9.871 12.587 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 52.589 9.916 13.948 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 32.884 93.583 -15.640 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 33.801 93.857 -15.652 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 32.752 93.227 -14.761 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 33.261 9.460 64.883 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 32.490 8.943 65.118 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 33.831 8.844 64.423 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 28.506 58.708 64.650 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 29.085 58.427 65.359 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 29.063 59.240 64.082 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 23.578 37.122 56.266 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 24.468 37.121 55.915 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 23.045 36.737 55.571 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 53.330 65.471 -18.440 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 53.317 66.243 -17.873 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 52.412 65.331 -18.675 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 46.683 77.829 31.999 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 46.950 77.262 32.722 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 46.408 77.226 31.309 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 83.753 93.615 -18.301 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 84.457 93.026 -18.571 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 84.059 94.486 -18.553 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 47.398 16.783 52.451 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 48.050 16.123 52.688 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 46.913 16.391 51.725 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 43.235 69.916 34.946 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 43.864 70.014 34.231 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 43.335 69.008 35.230 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 62.754 21.357 25.049 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 63.208 21.377 25.891 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 62.357 22.224 24.969 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 63.694 55.263 59.248 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 63.214 54.509 58.908 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 63.014 55.890 59.495 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 69.141 49.343 25.749 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 69.714 49.250 24.988 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 68.773 50.223 25.665 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 71.744 90.477 6.900 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 71.039 90.145 7.455 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 71.821 89.832 6.197 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 33.272 18.301 -19.718 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 33.004 18.464 -20.622 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 33.928 18.975 -19.537 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 32.396 26.019 42.431 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 32.253 26.639 41.715 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 33.347 25.916 42.471 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 73.426 28.264 50.313 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 73.399 28.249 49.357 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 74.314 27.983 50.533 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 61.955 84.555 2.548 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 61.712 83.812 3.099 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 62.719 84.936 2.980 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 28.781 4.633 36.828 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 29.266 4.317 36.066 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 28.865 3.931 37.474 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 40.170 33.343 42.711 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 39.376 33.255 42.183 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 40.508 34.211 42.493 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 46.822 44.305 64.679 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 47.393 44.578 65.397 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 47.199 43.480 64.373 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 44.005 95.999 61.792 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 43.765 95.140 62.139 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 43.588 96.035 60.931 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 89.656 70.177 54.979 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 89.385 69.382 54.522 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 89.664 70.853 54.301 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 27.530 17.151 47.692 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 27.893 16.803 46.877 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 27.472 18.095 47.544 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 63.122 36.641 49.288 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 63.682 36.855 50.034 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 62.681 37.464 49.076 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 84.909 29.358 32.947 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 84.750 28.512 32.528 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 84.395 29.980 32.432 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 42.112 11.921 35.219 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 42.991 11.720 35.540 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 42.185 12.802 34.853 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 74.995 81.863 48.518 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 75.295 82.719 48.213 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 74.802 81.992 49.447 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 34.198 85.709 65.842 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 34.314 85.655 64.894 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 34.405 84.830 66.160 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 47.631 10.801 8.368 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 46.810 10.977 7.908 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 47.610 11.384 9.127 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 84.759 9.774 -18.466 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 84.536 8.870 -18.687 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 84.740 10.237 -19.303 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 34.104 73.679 64.520 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 34.805 73.269 64.014 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 34.358 74.600 64.579 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 38.769 10.431 10.188 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 39.290 10.097 10.918 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 38.061 9.796 10.087 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 41.707 21.224 12.590 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 41.271 20.547 13.108 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 42.640 21.028 12.675 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 85.131 89.465 -9.572 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 84.707 89.201 -8.755 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 85.849 90.035 -9.296 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 24.952 22.272 65.511 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 24.598 22.883 66.158 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 25.623 22.774 65.049 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 78.809 38.322 23.950 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 78.088 38.519 23.352 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 79.091 37.441 23.703 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 60.821 34.637 6.440 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 61.584 35.173 6.656 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 60.123 34.977 7.000 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 61.205 20.622 50.520 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 61.262 20.431 49.584 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 60.524 21.291 50.587 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 31.837 59.267 4.814 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 32.347 58.501 4.552 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 30.949 58.934 4.937 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 56.423 77.792 48.236 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 57.258 77.732 47.772 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 55.975 76.971 48.031 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 59.776 11.684 -14.134 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 60.143 11.504 -15.000 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 60.324 12.386 -13.783 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 77.121 77.176 -7.037 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 76.729 76.418 -7.472 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 77.018 77.892 -7.664 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 31.977 54.852 22.393 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 32.853 55.237 22.360 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 31.385 55.595 22.274 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 48.622 94.065 -10.476 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 47.732 94.199 -10.801 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 48.545 94.142 -9.525 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 83.482 60.861 14.402 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 83.260 61.674 14.855 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 84.339 60.618 14.751 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 70.140 38.410 41.190 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 70.634 38.750 40.444 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 69.794 39.190 41.624 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 57.833 7.175 53.660 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 57.374 7.794 53.092 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 58.607 6.918 53.158 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 65.229 10.568 47.950 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 65.170 10.212 47.064 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 65.338 11.511 47.823 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 83.176 58.615 43.184 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 82.247 58.829 43.100 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 83.407 58.217 42.344 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 68.653 39.965 36.117 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 68.839 39.028 36.061 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 68.000 40.122 35.436 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 23.482 77.369 1.984 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 23.563 77.667 2.889 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 24.102 76.643 1.914 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 24.201 90.958 61.492 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 24.794 91.675 61.268 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 23.509 91.005 60.831 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 80.197 41.432 14.667 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 79.938 41.944 13.901 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 81.048 41.790 14.919 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 79.908 39.451 37.507 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 80.080 40.152 36.879 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 80.286 38.670 37.104 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 82.111 28.046 -12.217 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 81.977 27.491 -11.449 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 81.264 28.470 -12.357 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 58.216 32.954 42.363 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 57.767 33.620 42.884 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 58.396 33.384 41.527 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 70.974 16.877 -6.029 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 71.327 17.202 -5.201 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 71.627 17.127 -6.683 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 76.326 27.029 2.760 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 76.389 26.933 3.711 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 76.774 26.258 2.411 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 48.575 2.794 50.202 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 47.933 2.843 49.494 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 48.112 3.135 50.968 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 81.491 74.576 -18.910 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 81.719 75.200 -18.221 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 81.613 75.063 -19.725 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 67.214 65.031 27.644 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 67.115 65.634 26.907 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 66.328 64.710 27.812 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 58.678 11.450 56.348 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 58.008 10.793 56.537 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 59.250 11.031 55.705 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 28.165 39.297 30.647 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 27.744 38.850 29.913 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 28.560 40.078 30.259 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 34.473 68.562 -3.911 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 34.593 69.477 -4.168 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 34.531 68.572 -2.955 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 72.281 20.748 -7.783 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 72.981 21.192 -7.304 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 72.514 19.820 -7.743 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 49.367 75.699 58.227 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 50.133 75.997 58.718 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 49.371 76.230 57.431 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 32.802 47.314 7.048 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 32.168 47.172 6.345 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 32.997 46.436 7.377 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 63.717 80.078 5.685 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 63.261 80.348 4.888 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 64.135 79.248 5.453 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 70.318 11.821 39.653 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 69.459 11.473 39.415 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 70.377 11.687 40.599 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 64.987 7.009 -0.841 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 65.943 7.039 -0.876 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 64.744 7.745 -0.280 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 59.201 1.973 58.345 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 59.027 1.043 58.490 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 58.362 2.332 58.054 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 25.827 82.154 6.707 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 25.773 82.116 7.662 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 26.124 81.281 6.449 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 86.786 35.503 61.408 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 87.208 36.262 61.809 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 87.478 35.085 60.896 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 80.126 35.002 59.725 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 79.850 35.521 58.969 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 79.376 35.028 60.320 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 38.344 9.144 47.793 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 37.996 8.556 48.463 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 38.149 10.022 48.119 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 29.923 24.991 29.649 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 30.428 24.541 30.326 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 29.663 25.818 30.055 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 27.724 19.897 65.797 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 28.277 20.185 66.524 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 27.839 20.570 65.126 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 64.639 71.096 32.659 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 64.896 70.179 32.557 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 63.691 71.067 32.783 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 56.139 53.167 -18.480 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 55.401 52.572 -18.612 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 56.905 52.595 -18.438 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 71.615 75.225 22.572 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 72.134 74.630 23.112 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 70.971 74.661 22.144 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 73.352 30.632 40.549 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 73.923 30.954 39.851 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 72.666 30.146 40.093 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 47.892 91.730 -12.436 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 48.796 91.881 -12.711 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 47.714 92.426 -11.803 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 81.522 90.040 61.239 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 82.200 90.687 61.436 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 81.357 89.604 62.075 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 82.942 23.529 56.664 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 81.988 23.453 56.649 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 83.128 24.321 56.159 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 84.544 36.895 31.666 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 84.576 36.294 30.922 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 83.966 37.602 31.379 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 56.850 3.923 48.829 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 56.662 3.445 49.637 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 56.042 3.860 48.319 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 31.913 57.463 32.046 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 32.502 56.771 31.745 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 32.495 58.150 32.370 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 76.893 80.363 1.822 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 77.822 80.516 1.997 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 76.445 80.686 2.604 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 90.022 62.639 -4.269 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 90.121 61.946 -3.617 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 90.581 62.366 -4.997 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 35.626 52.449 62.151 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 35.853 52.483 61.221 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 34.695 52.673 62.179 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 51.413 26.517 14.177 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 51.707 27.321 14.605 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 51.757 26.579 13.286 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 21.901 65.899 -4.193 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 21.125 65.592 -3.725 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 21.802 65.548 -5.078 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 57.706 58.710 56.173 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 57.932 59.307 56.886 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 58.479 58.708 55.608 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 28.858 32.945 -9.913 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 28.607 32.612 -10.775 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 28.366 32.405 -9.295 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 81.481 48.924 66.464 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 80.955 49.500 67.019 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 81.469 49.344 65.604 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 39.887 40.169 -13.485 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 39.050 40.633 -13.500 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 40.206 40.279 -12.589 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 47.274 11.291 66.977 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 46.345 11.281 67.208 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 47.571 12.170 67.214 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 26.826 43.341 45.896 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 26.351 43.919 45.299 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 26.619 42.458 45.590 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 77.701 16.884 66.178 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 77.352 16.631 67.033 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 78.463 16.319 66.052 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 86.858 71.075 36.226 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 87.023 70.344 36.821 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 87.452 70.926 35.491 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 59.466 54.098 -9.973 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 58.660 54.055 -9.458 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 60.079 53.529 -9.508 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 70.249 87.989 32.755 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 70.564 87.781 31.876 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 70.521 87.245 33.291 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 44.616 79.106 -13.000 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 44.780 78.170 -13.118 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 43.772 79.147 -12.551 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 65.598 6.613 -3.884 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 66.245 6.448 -3.199 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 65.506 7.566 -3.903 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 86.257 76.540 33.866 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 86.622 76.681 32.992 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 87.017 76.555 34.448 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 56.584 32.900 64.669 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 56.817 33.811 64.493 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 56.712 32.453 63.832 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 36.579 55.599 54.132 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 35.702 55.217 54.153 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 36.538 56.256 53.437 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 45.593 95.350 26.366 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 45.487 94.524 26.839 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 45.967 95.097 25.522 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 41.018 2.467 52.925 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 41.703 3.090 52.682 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 41.375 2.001 53.681 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 65.828 44.965 43.617 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 65.126 44.429 43.248 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 65.631 45.007 44.553 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 68.170 31.260 50.913 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 67.253 31.517 50.817 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 68.654 32.086 50.894 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 54.004 72.693 -6.113 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 53.477 72.691 -6.912 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 53.417 73.036 -5.439 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 88.069 94.926 29.575 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 88.581 95.048 30.375 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 88.606 95.316 28.885 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 23.171 35.210 -6.807 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 22.813 35.771 -6.119 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 23.002 34.318 -6.502 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 87.503 46.619 18.409 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 87.332 45.811 18.894 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 88.364 46.484 18.014 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 60.451 12.869 24.765 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 61.263 13.094 24.309 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 60.738 12.399 25.547 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 77.857 22.631 -16.118 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 77.597 23.536 -15.944 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 78.595 22.475 -15.529 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 60.865 26.709 -16.848 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 60.329 26.845 -16.068 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 61.755 26.925 -16.569 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 38.200 5.124 22.595 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 38.568 5.365 23.445 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 38.710 5.628 21.961 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 63.624 92.811 -1.553 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 63.251 93.476 -0.976 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 62.897 92.215 -1.734 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 53.554 16.788 -15.798 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 54.306 16.299 -16.135 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 53.862 17.693 -15.744 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 48.629 49.562 4.213 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 48.471 49.767 5.135 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 49.401 50.079 3.982 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 46.906 57.026 61.594 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 47.771 57.259 61.259 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 46.507 56.512 60.893 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 54.537 32.820 49.204 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 54.423 32.489 48.313 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 54.890 33.702 49.088 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 62.009 30.314 16.688 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 61.927 30.335 15.735 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 61.765 31.196 16.969 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 70.215 57.885 55.518 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 70.646 58.161 54.709 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 70.137 56.935 55.436 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 42.629 58.699 50.348 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 42.472 59.195 49.544 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 43.437 58.215 50.176 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 52.781 22.112 45.883 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 53.280 21.370 46.224 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 53.197 22.881 46.273 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 60.660 67.647 43.694 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 59.962 67.775 43.051 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 60.604 66.721 43.928 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 50.432 2.820 37.537 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 50.288 1.949 37.169 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 51.384 2.894 37.613 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 50.158 26.326 31.216 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 50.157 26.913 30.460 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 50.906 26.612 31.741 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 65.079 31.159 39.164 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 65.432 31.321 40.038 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 64.159 30.938 39.314 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 68.884 40.292 3.892 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 68.504 40.870 4.554 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 69.634 40.779 3.552 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 58.016 44.318 60.832 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 58.274 44.081 61.723 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 58.726 43.990 60.281 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 27.813 13.633 -14.281 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 27.908 13.195 -15.127 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 27.432 14.485 -14.493 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 40.659 70.790 66.336 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 39.706 70.731 66.408 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 40.987 70.132 66.949 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 61.308 85.666 32.924 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 60.633 85.904 32.289 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 62.069 86.190 32.674 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 84.154 84.441 35.557 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 84.647 84.011 34.858 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 84.085 83.778 36.244 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 53.742 96.706 8.089 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 54.678 96.660 8.280 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 53.458 95.792 8.061 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 67.446 38.066 -17.851 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 66.990 37.388 -18.350 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 68.117 37.591 -17.360 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 86.203 94.714 42.686 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 86.044 94.228 41.877 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 87.154 94.699 42.791 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 79.818 17.155 -8.685 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 79.692 17.235 -7.740 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 80.735 16.901 -8.784 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 63.892 25.234 -8.789 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 63.161 25.436 -9.373 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 63.617 24.443 -8.325 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 79.055 86.821 66.572 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 79.945 87.135 66.415 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 78.499 87.583 66.410 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 30.006 64.309 60.473 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 29.827 64.274 61.413 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 30.515 63.518 60.296 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 44.214 9.282 -19.092 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 44.641 8.949 -19.881 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 43.644 9.984 -19.407 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 86.930 84.714 -6.166 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 87.806 84.563 -6.522 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 87.084 85.086 -5.298 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 37.813 27.695 47.987 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 38.034 28.626 47.963 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 36.885 27.663 47.755 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 75.475 85.674 66.449 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 74.863 86.251 66.905 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 75.596 86.081 65.592 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 66.039 47.740 45.371 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 65.319 47.228 45.740 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 66.820 47.407 45.811 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 72.343 88.626 0.884 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 71.872 89.174 1.512 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 72.460 89.187 0.117 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 77.071 2.429 55.870 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 76.325 2.272 55.290 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 77.745 1.822 55.563 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 73.808 33.329 51.048 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 74.269 33.674 51.812 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 74.195 32.465 50.904 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 80.703 77.064 63.307 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 81.545 77.245 63.726 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 80.932 76.621 62.490 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 36.002 88.155 55.810 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 36.036 88.083 56.764 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 35.709 89.052 55.648 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 56.451 3.883 -5.567 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 56.221 3.301 -4.843 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 55.629 4.316 -5.798 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 55.067 29.051 47.969 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 54.119 28.995 48.086 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 55.295 28.264 47.475 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 33.872 42.774 39.345 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 33.448 41.923 39.454 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 34.400 42.680 38.552 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 51.016 21.641 47.927 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 50.787 22.442 48.398 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 51.392 21.947 47.101 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 56.786 87.517 -9.093 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 57.363 86.793 -9.338 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 56.536 87.328 -8.188 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 70.158 6.320 -15.365 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 70.939 6.225 -15.910 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 70.453 6.097 -14.482 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 76.447 14.971 41.517 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 76.610 14.204 40.968 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 75.497 14.985 41.634 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 90.775 0.626 31.381 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 90.401 -0.066 31.927 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 90.627 1.430 31.877 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 74.798 52.407 36.591 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 74.565 53.279 36.911 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 74.718 51.841 37.359 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 66.429 24.688 -1.113 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 65.617 25.146 -0.895 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 66.852 24.537 -0.268 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 23.518 51.477 23.844 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 23.123 52.349 23.870 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 24.415 51.629 23.546 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 23.882 26.402 54.628 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 24.831 26.298 54.703 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 23.522 25.600 55.007 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 69.257 81.061 3.406 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 69.243 80.164 3.741 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 69.013 81.601 4.158 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 41.813 61.229 59.892 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 41.737 62.053 59.412 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 42.307 60.654 59.307 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 67.079 78.020 50.401 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 66.139 77.912 50.547 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 67.180 77.984 49.450 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 80.893 52.295 53.010 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 79.994 51.966 53.033 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 80.800 53.233 52.842 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 42.715 25.550 29.711 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 43.294 26.168 29.266 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 42.201 25.152 29.008 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 58.419 50.128 40.434 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 58.161 50.829 41.033 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 57.829 50.222 39.686 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 72.978 2.897 -13.426 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 73.618 2.233 -13.169 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 72.660 2.606 -14.281 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 82.517 9.148 34.596 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 82.211 9.006 33.700 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 82.068 8.479 35.113 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 36.381 45.751 45.623 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 36.797 46.598 45.784 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 35.498 45.969 45.325 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 58.814 30.697 44.100 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 58.133 30.055 43.900 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 58.639 31.426 43.506 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 59.894 15.879 55.743 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 60.263 16.434 56.429 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 59.140 16.370 55.417 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 46.202 80.416 36.062 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 46.760 79.645 36.163 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 45.873 80.359 35.165 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 47.300 11.638 36.206 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 47.877 12.270 36.635 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 47.537 11.687 35.280 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 41.579 83.613 -14.734 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 42.257 83.086 -15.158 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 41.703 83.455 -13.798 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 58.496 40.090 61.614 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 57.670 39.869 61.182 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 59.108 40.246 60.895 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 52.524 16.997 66.781 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 53.399 16.683 67.010 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 52.676 17.841 66.355 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 82.980 86.240 33.670 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 83.200 85.575 34.323 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 82.157 86.618 33.980 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 44.295 22.434 62.120 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 43.887 22.957 61.431 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 45.220 22.680 62.093 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 43.946 18.889 31.383 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 43.019 18.923 31.619 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 43.952 18.556 30.485 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 20.456 52.279 20.246 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 21.405 52.203 20.337 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 20.295 52.180 19.308 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 57.940 63.462 60.157 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 58.146 63.539 61.089 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 56.983 63.482 60.120 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 59.555 38.805 50.434 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 58.974 39.300 49.857 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 60.427 38.926 50.058 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 28.672 73.533 23.978 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 27.807 73.906 23.808 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 28.534 72.931 24.709 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 73.249 8.198 64.607 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 73.307 7.246 64.699 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 72.450 8.342 64.099 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 82.952 2.604 34.604 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 82.420 2.020 35.144 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 83.411 2.020 33.999 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 65.480 27.128 50.567 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 64.772 26.823 51.135 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 65.573 28.057 50.776 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 31.162 45.842 5.036 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 31.568 45.163 5.573 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 30.973 45.409 4.203 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 48.789 55.552 51.734 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 47.879 55.701 51.988 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 48.880 55.995 50.891 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 54.194 61.803 -13.295 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 53.846 61.246 -12.599 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 53.655 62.594 -13.262 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 57.870 8.784 40.304 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 58.152 8.115 40.928 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 58.052 8.402 39.445 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 53.765 28.200 59.797 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 53.798 27.661 59.007 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 53.427 29.044 59.498 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 39.179 34.979 35.093 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 39.180 35.325 34.200 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 39.658 35.631 35.604 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 22.454 91.159 -17.759 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 21.807 91.532 -17.161 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 22.683 90.315 -17.369 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 86.242 70.884 5.198 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 86.480 70.960 4.274 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 85.452 70.344 5.198 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 71.319 18.473 -18.379 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 71.941 19.153 -18.121 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 71.814 17.907 -18.971 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 60.480 67.936 -1.119 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 59.673 67.884 -0.606 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 60.187 67.906 -2.030 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 49.707 6.089 52.724 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 49.662 6.849 52.144 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 50.339 6.338 53.398 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 55.647 42.148 -14.964 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 54.938 41.505 -14.966 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 56.182 41.918 -15.724 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 62.120 44.149 -16.752 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 62.697 44.211 -15.991 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 61.327 44.617 -16.489 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 68.151 38.502 -0.919 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 67.421 37.968 -1.231 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 68.813 37.867 -0.646 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 34.592 38.539 66.522 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 33.823 37.969 66.536 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 34.348 39.285 67.069 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 45.152 36.228 6.136 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 45.073 35.504 6.757 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 46.053 36.535 6.238 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 32.762 95.192 11.793 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 31.855 95.316 11.516 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 33.146 94.634 11.116 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 64.491 88.070 37.080 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 63.786 88.340 37.669 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 64.535 87.119 37.179 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 81.749 77.207 16.869 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 80.838 77.309 17.143 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 81.925 76.270 16.962 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 65.120 15.494 63.229 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 65.199 15.173 64.127 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 64.335 16.043 63.239 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 67.707 20.302 19.351 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 67.732 19.350 19.256 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 67.103 20.596 18.668 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 80.975 93.326 24.987 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 80.785 93.904 25.726 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 80.554 92.497 25.216 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 47.559 26.358 34.290 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 47.424 26.251 33.349 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 48.223 27.044 34.362 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 53.416 38.355 52.779 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 52.713 38.330 52.131 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 53.170 37.692 53.425 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 74.454 7.271 10.336 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 75.364 6.992 10.239 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 73.982 6.789 9.657 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 83.538 27.938 16.764 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 83.530 28.583 17.471 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 83.415 27.097 17.205 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 75.972 54.182 -12.572 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 76.324 53.745 -11.796 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 75.802 55.079 -12.285 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 51.960 39.817 49.913 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 52.402 40.148 49.131 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 51.033 39.999 49.761 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 47.322 34.516 50.775 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 47.796 34.296 49.973 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 46.751 35.242 50.525 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 40.032 35.928 -7.055 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 40.243 35.212 -6.455 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 40.621 35.800 -7.798 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 60.846 33.112 -16.768 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 60.627 33.495 -15.919 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 60.014 33.088 -17.242 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 68.278 34.729 -7.834 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 68.132 35.488 -8.399 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 68.610 35.099 -7.016 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 81.184 27.465 53.689 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 82.057 27.858 53.653 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 81.255 26.675 53.153 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 36.327 40.560 43.713 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 36.645 41.394 44.057 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 35.489 40.773 43.303 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 47.296 34.914 1.564 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 47.791 35.677 1.267 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 47.351 34.949 2.519 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 81.348 57.082 28.346 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 81.685 57.667 27.667 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 81.442 56.205 27.974 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 34.547 37.777 -9.286 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 34.006 37.070 -9.638 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 35.437 37.562 -9.565 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 84.645 86.431 17.493 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 85.529 86.118 17.684 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 84.241 86.547 18.353 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 57.068 25.613 58.096 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 56.792 26.461 57.749 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 57.045 25.725 59.047 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 57.737 13.259 -13.226 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 58.245 12.556 -13.630 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 58.278 14.041 -13.338 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 29.688 47.236 9.286 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 28.795 47.575 9.226 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 30.229 48.011 9.435 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 64.594 29.982 17.367 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 63.735 30.304 17.094 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 64.448 29.618 18.240 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 78.736 64.737 63.655 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 77.821 64.587 63.890 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 79.097 63.861 63.523 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 40.681 95.251 -1.629 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 40.470 95.395 -0.706 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 39.831 95.229 -2.068 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 36.063 40.548 14.473 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 36.789 41.021 14.880 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 36.311 40.477 13.551 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 44.229 55.817 50.035 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 43.762 55.001 50.213 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 44.376 55.809 49.090 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 78.923 34.545 -19.772 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 78.975 35.054 -20.581 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 79.747 34.726 -19.320 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 75.198 23.499 38.373 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 75.858 24.007 37.903 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 75.671 22.731 38.695 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 71.092 62.637 40.013 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 70.264 62.346 40.396 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 70.888 62.792 39.090 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 44.937 39.854 63.196 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 45.091 40.558 62.566 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 45.697 39.884 63.778 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 27.445 45.804 39.691 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 28.140 45.865 39.036 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 27.861 45.383 40.443 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 22.528 22.938 53.739 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 22.502 23.328 54.613 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 23.389 22.525 53.687 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 27.691 36.524 60.680 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 28.140 35.822 61.152 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 28.370 36.918 60.133 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 57.137 54.970 55.073 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 56.276 55.221 55.405 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 57.129 54.013 55.085 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 85.408 77.491 7.943 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 84.702 76.845 7.970 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 86.211 76.969 7.924 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 59.290 13.563 51.079 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 59.961 14.178 50.784 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 59.338 13.596 52.035 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 49.054 30.938 41.353 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 49.439 30.915 40.477 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 48.990 31.870 41.563 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 36.958 29.183 -8.075 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 37.694 29.659 -8.458 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 36.341 29.073 -8.798 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 56.531 82.945 -17.335 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 57.351 82.458 -17.249 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 55.864 82.356 -16.982 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 62.644 0.318 -8.837 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 63.137 0.221 -9.651 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 63.310 0.309 -8.149 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 78.012 22.243 57.706 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 78.776 21.746 58.001 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 78.297 22.663 56.895 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 59.356 87.904 59.496 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 58.788 87.137 59.563 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 59.478 88.193 60.400 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 72.595 92.967 20.137 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 72.098 92.907 20.953 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 71.974 92.705 19.457 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 76.323 34.126 -19.106 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 77.257 34.330 -19.164 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 76.094 33.799 -19.976 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 85.879 57.053 17.095 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 85.334 57.270 16.339 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 85.257 56.766 17.764 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 78.719 46.173 -12.985 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 78.392 46.357 -12.104 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 79.590 46.569 -13.006 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 22.520 58.895 27.436 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 22.263 59.602 28.028 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 23.461 58.791 27.581 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 44.722 36.625 24.647 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 43.908 36.606 24.143 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 45.413 36.538 23.990 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 72.058 40.105 -6.534 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 71.811 40.392 -7.413 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 72.308 40.909 -6.080 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 44.497 45.657 38.505 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 44.669 45.996 39.383 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 45.365 45.532 38.121 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 43.456 22.246 49.599 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 44.255 22.082 49.097 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 42.893 22.738 49.001 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 78.317 11.393 -16.356 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 79.028 11.930 -16.006 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 78.655 10.498 -16.326 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 89.173 28.713 8.741 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 89.404 28.216 9.526 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 88.396 28.273 8.397 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 51.941 44.895 -16.762 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 51.904 45.850 -16.806 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 51.747 44.688 -15.848 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 85.706 6.916 63.458 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 85.478 6.151 63.986 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 86.042 7.552 64.089 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 59.503 37.868 -1.061 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 59.071 38.707 -1.223 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 58.785 37.243 -0.965 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 61.453 61.645 41.742 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 60.871 62.154 41.176 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 61.770 60.935 41.183 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 86.381 78.463 37.205 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 86.328 78.518 36.251 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 86.048 79.306 37.512 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 54.464 58.847 -15.846 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 53.673 58.397 -15.551 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 54.437 58.777 -16.801 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 80.400 95.124 53.447 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 81.078 94.618 52.999 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 80.835 95.938 53.698 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 82.161 75.911 -13.472 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 82.344 75.019 -13.177 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 82.189 75.858 -14.427 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 57.318 7.577 -18.860 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 57.702 8.280 -18.335 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 58.020 6.933 -18.949 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 63.350 16.861 -3.642 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 63.033 17.659 -3.219 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 64.061 17.157 -4.211 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 52.010 78.681 53.982 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 52.525 78.467 53.204 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 51.455 79.411 53.708 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 40.340 88.955 64.809 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 40.612 89.227 63.933 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 39.395 88.824 64.738 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 40.414 34.980 52.774 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 41.086 35.630 52.570 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 40.617 34.238 52.205 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 64.342 11.595 57.436 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 64.286 11.560 58.391 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 63.593 12.129 57.171 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 33.720 5.344 39.765 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 34.433 5.489 39.143 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 33.691 4.394 39.880 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 90.289 49.219 30.222 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 90.644 49.797 29.547 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 90.463 48.336 29.898 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 87.348 55.917 41.386 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 88.228 55.715 41.702 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 87.206 56.829 41.640 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 58.466 20.754 48.486 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 59.351 20.431 48.653 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 58.166 20.252 47.728 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 66.847 34.043 40.715 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 66.373 34.052 39.883 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 67.521 34.716 40.614 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 62.739 85.899 54.380 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 62.882 85.639 55.290 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 63.594 86.211 54.083 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 36.013 88.647 26.303 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 36.967 88.693 26.368 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 35.848 87.917 25.706 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 41.198 5.328 46.331 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 41.120 6.133 46.843 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 42.125 5.283 46.095 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 85.354 58.151 -2.206 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 85.455 57.202 -2.271 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 84.473 58.275 -1.851 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 35.128 57.468 49.674 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 35.820 56.809 49.715 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 35.265 58.009 50.452 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 73.231 82.867 -13.798 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 73.146 83.772 -13.498 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 73.710 82.426 -13.096 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 53.080 1.873 50.665 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 52.746 1.989 49.775 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 52.907 0.953 50.868 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 85.441 78.005 -16.371 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 85.413 78.960 -16.415 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 85.766 77.814 -15.491 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 33.725 58.154 46.843 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 33.885 57.484 47.507 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 34.298 58.880 47.091 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 22.032 79.900 32.976 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 22.384 79.052 32.706 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 21.255 80.021 32.431 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 62.567 83.100 8.660 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 61.661 83.025 8.361 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 62.637 82.469 9.376 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 77.199 28.730 58.152 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 77.002 27.900 57.716 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 77.873 29.133 57.604 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 80.073 19.652 52.343 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 79.998 20.229 51.583 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 80.315 18.802 51.976 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 62.740 72.610 -12.315 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 63.318 72.269 -11.633 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 61.860 72.371 -12.027 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 32.282 12.262 4.654 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 32.086 11.810 5.475 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 31.613 12.943 4.590 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 40.838 7.712 62.666 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 41.489 7.019 62.770 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 41.328 8.524 62.798 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 50.734 75.277 2.287 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 50.294 75.081 3.115 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 51.477 74.675 2.262 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 52.837 85.453 -11.198 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 52.287 86.204 -11.422 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 53.731 85.754 -11.359 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 34.478 81.669 62.479 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 34.412 82.181 63.286 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 33.713 81.095 62.495 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 88.688 62.730 -0.681 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 89.310 62.735 0.046 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 89.041 62.086 -1.295 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 28.593 14.354 56.695 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 29.243 14.951 57.065 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 28.040 14.911 56.148 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 25.277 83.730 -8.400 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 25.268 84.487 -8.985 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 24.371 83.644 -8.104 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 79.109 75.233 37.336 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 79.728 74.804 36.746 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 79.179 76.164 37.123 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 28.519 58.420 -3.806 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 29.307 58.046 -4.199 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 28.013 57.662 -3.513 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 48.920 60.644 -15.228 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 49.751 60.578 -15.697 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 48.373 61.199 -15.784 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 64.502 96.708 48.164 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 64.032 95.932 47.858 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 64.590 96.577 49.108 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 20.679 22.217 65.159 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 19.989 22.876 65.235 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 20.396 21.655 64.438 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 36.803 43.076 53.216 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 37.679 43.387 52.988 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 36.775 43.118 54.172 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 64.892 59.155 21.167 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 63.976 58.951 21.354 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 65.140 58.539 20.478 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 36.545 40.455 52.154 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 37.039 40.519 51.337 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 36.651 41.312 52.567 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 37.086 89.599 52.579 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 37.204 89.521 53.526 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 36.700 90.466 52.456 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 59.514 68.367 51.745 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 59.161 68.301 52.632 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 59.110 67.640 51.271 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 61.986 70.243 42.433 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 61.208 70.407 41.900 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 62.408 71.098 42.510 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 61.133 38.066 63.278 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 60.360 38.285 63.799 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 61.866 38.160 63.886 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 64.667 82.211 6.897 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 64.036 82.625 7.486 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 64.296 81.348 6.715 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 42.043 48.506 -8.825 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 41.631 49.312 -9.135 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 42.855 48.443 -9.329 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 90.751 35.800 52.943 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 90.608 36.534 52.346 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 90.073 35.165 52.709 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 38.927 13.919 34.497 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 39.318 14.700 34.887 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 39.635 13.526 33.986 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 82.613 57.965 30.887 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 82.559 57.518 30.042 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 81.705 58.167 31.110 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 62.266 6.632 18.717 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 62.326 7.428 18.189 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 62.611 5.942 18.151 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 28.588 12.442 28.963 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 28.812 12.948 29.745 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 29.232 12.713 28.309 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 80.154 21.859 -14.231 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 80.869 22.481 -14.091 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 80.571 21.105 -14.648 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 58.461 23.315 16.717 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 58.036 22.997 15.920 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 57.824 23.914 17.105 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 71.916 67.241 65.105 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 71.714 68.065 64.663 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 71.791 67.430 66.035 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 26.779 70.225 64.672 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 26.947 69.985 63.761 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 27.647 70.384 65.043 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 83.658 65.221 -4.662 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 84.287 65.736 -4.157 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 84.137 64.428 -4.903 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 53.608 94.564 52.983 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 53.378 93.641 52.877 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 54.448 94.551 53.442 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 45.549 24.265 67.435 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 45.400 24.147 66.497 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 45.455 25.207 67.576 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 28.104 19.085 35.582 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 28.126 19.970 35.945 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 28.605 18.558 36.204 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 90.365 64.341 36.970 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 91.013 64.493 36.283 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 90.396 63.397 37.124 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 77.290 90.039 15.290 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 77.814 89.610 15.966 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 77.674 89.744 14.464 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 60.922 18.535 -7.179 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 60.688 17.986 -6.430 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 60.228 19.193 -7.220 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 38.134 62.154 60.331 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 38.596 62.991 60.389 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 38.810 61.524 60.083 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 42.334 8.396 31.144 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 42.246 8.685 30.235 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 43.206 8.693 31.406 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 51.129 27.410 44.130 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 50.748 28.236 43.834 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 52.038 27.444 43.831 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 26.839 18.843 -14.409 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 27.136 19.746 -14.525 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 25.937 18.925 -14.100 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 70.594 29.083 53.622 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 70.558 30.039 53.634 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 69.877 28.823 53.043 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 69.063 90.935 0.029 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 68.165 91.210 0.214 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 68.994 90.404 -0.764 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 32.012 87.107 -17.813 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 32.639 87.792 -17.583 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 31.244 87.581 -18.132 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 56.252 84.662 53.662 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 55.409 85.088 53.506 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 56.139 83.775 53.320 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 23.109 34.278 10.182 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 22.452 34.912 9.894 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 23.902 34.521 9.704 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 76.569 70.284 -10.475 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 77.015 70.707 -11.209 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 75.858 70.884 -10.249 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 74.681 89.146 35.732 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 74.443 88.231 35.581 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 74.432 89.595 34.924 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 60.598 17.766 -11.684 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 61.514 18.038 -11.622 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 60.099 18.543 -11.432 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 45.666 39.912 49.451 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 45.968 40.661 49.965 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 45.676 40.223 48.546 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 48.179 50.487 46.751 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 48.916 51.083 46.886 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 47.725 50.836 45.985 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 21.262 75.667 56.628 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 21.723 75.578 55.794 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 21.579 74.935 57.157 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 54.723 83.095 -1.146 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 54.262 82.258 -1.089 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 54.324 83.635 -0.464 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 22.966 85.963 -5.481 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 23.093 86.703 -6.075 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 23.720 85.995 -4.893 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 31.484 15.054 45.929 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 32.093 15.181 46.656 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 30.620 15.029 46.341 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 32.617 60.637 52.537 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 32.466 59.715 52.328 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 33.184 60.953 51.834 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 52.320 86.637 63.141 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 51.455 86.752 63.534 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 52.150 86.183 62.315 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 50.497 12.702 39.980 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 51.137 12.212 40.496 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 50.053 13.262 40.617 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 21.049 36.609 -18.907 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 20.762 37.267 -18.273 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 21.966 36.822 -19.076 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 42.630 24.272 -13.527 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 42.415 23.716 -14.276 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 43.492 23.967 -13.242 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 48.696 20.221 -19.708 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 49.464 19.927 -19.218 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 49.054 20.603 -20.509 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 44.634 4.337 31.165 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 45.483 3.967 31.406 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 44.466 5.006 31.829 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 33.903 67.137 1.476 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 34.459 66.377 1.302 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 33.382 66.884 2.237 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 77.518 30.719 38.802 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 78.458 30.654 38.974 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 77.340 30.021 38.172 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 62.393 33.483 44.303 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 62.022 33.099 43.509 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 62.270 32.812 44.974 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 80.410 89.731 10.837 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 80.531 89.008 10.221 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 80.832 90.479 10.415 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 26.542 90.491 16.318 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 27.349 90.992 16.201 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 26.667 89.706 15.785 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 26.385 34.733 17.811 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 25.810 35.299 17.296 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 27.041 34.424 17.186 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 61.315 19.445 32.145 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 61.323 19.481 31.188 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 61.088 20.334 32.417 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 22.309 59.124 32.831 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 21.521 58.973 32.308 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 22.926 59.531 32.224 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 70.285 62.281 53.751 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 70.306 63.149 53.349 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 69.788 61.743 53.134 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 69.835 91.529 38.919 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 69.216 91.724 38.215 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 70.217 90.686 38.675 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 78.457 86.856 44.258 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 78.737 87.758 44.101 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 77.951 86.624 43.479 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 24.773 10.114 39.584 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 23.978 10.045 39.055 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 25.428 9.611 39.099 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 23.926 60.996 12.412 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 23.788 61.903 12.686 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 24.157 60.534 13.217 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 67.169 6.983 -15.891 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 66.611 7.516 -15.325 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 68.037 7.036 -15.491 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 39.961 55.982 45.135 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 40.522 56.628 45.563 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 40.179 56.054 44.205 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 49.622 40.958 49.398 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 49.989 41.833 49.269 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 48.940 41.079 50.058 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 65.560 21.382 43.054 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 64.843 21.471 43.682 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 66.218 22.011 43.349 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 38.536 84.667 66.241 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 38.528 84.690 65.284 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 38.395 83.746 66.459 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 60.928 57.156 -3.430 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 61.068 58.084 -3.242 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 60.073 56.959 -3.047 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 71.209 58.312 5.208 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 71.289 59.165 4.781 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 70.645 58.474 5.963 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 81.855 76.141 60.930 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 82.126 76.392 60.047 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 82.456 75.437 61.174 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 65.557 33.262 44.879 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 65.357 33.258 43.943 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 64.705 33.362 45.305 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 82.891 42.111 21.594 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 81.946 41.958 21.611 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 83.141 41.973 20.681 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 27.575 56.832 32.271 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 27.792 56.189 32.945 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 28.080 56.558 31.506 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 58.375 36.547 5.825 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 58.140 36.172 6.674 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 57.804 37.309 5.732 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 59.997 50.483 -6.349 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 60.651 49.791 -6.443 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 59.227 50.151 -6.812 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 36.552 48.064 63.600 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 36.472 49.017 63.571 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 37.453 47.907 63.883 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 26.734 58.125 -9.013 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 26.744 59.001 -8.629 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 27.657 57.909 -9.144 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 68.983 52.737 53.663 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 68.127 53.050 53.371 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 69.407 52.418 52.866 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 45.168 57.830 44.861 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 45.182 57.498 43.963 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 44.939 58.755 44.772 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 41.978 37.159 66.052 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 41.893 36.207 65.995 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 42.419 37.410 65.241 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 59.469 56.554 58.125 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 59.797 57.429 58.333 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 59.473 56.516 57.169 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 26.916 68.164 32.532 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 26.201 67.617 32.858 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 27.571 67.540 32.219 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 33.671 42.604 10.634 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 33.514 41.678 10.816 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 33.366 43.058 11.420 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 33.212 80.306 -17.148 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 32.828 79.755 -16.466 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 32.911 79.917 -17.969 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 52.420 26.422 -7.246 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 53.211 26.585 -6.732 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 52.624 26.766 -8.116 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 62.943 15.893 46.570 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 63.653 16.416 46.198 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 62.652 15.334 45.850 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 47.631 0.188 61.890 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 47.996 0.766 62.560 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 47.531 0.746 61.119 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 75.387 62.937 16.343 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 74.540 62.889 15.900 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 75.697 62.031 16.367 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 48.053 46.701 59.414 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 47.368 46.721 60.082 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 47.586 46.825 58.588 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 23.334 29.075 -5.116 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 23.353 29.931 -5.543 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 22.412 28.938 -4.897 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 24.462 80.739 -8.264 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 24.692 81.221 -7.470 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 25.295 80.611 -8.717 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 81.661 95.494 46.657 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 80.923 96.092 46.778 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 81.347 94.655 46.994 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 53.909 68.871 59.892 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 54.454 68.731 59.118 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 53.084 68.429 59.689 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 25.488 46.054 20.193 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 26.311 46.385 20.554 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 25.434 46.445 19.321 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 53.532 19.407 34.529 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 52.596 19.605 34.552 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 53.715 19.221 33.608 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 73.425 88.834 -14.017 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 74.199 89.164 -13.560 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 73.563 87.888 -14.069 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 21.733 90.450 -5.847 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 22.515 89.941 -5.635 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 21.775 91.208 -5.264 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 89.159 42.879 24.606 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 88.229 43.106 24.593 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 89.599 43.646 24.240 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 21.870 2.557 41.517 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 22.353 1.901 42.021 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 21.830 3.320 42.093 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 35.378 78.712 48.143 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 35.194 77.779 48.258 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 36.322 78.789 48.283 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 84.220 34.913 26.642 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 85.063 34.766 26.214 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 83.838 35.654 26.172 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 61.897 83.611 50.751 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 61.457 84.164 51.396 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 62.827 83.811 50.859 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 73.357 61.395 33.871 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 74.153 61.336 33.344 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 73.524 62.117 34.478 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 88.943 90.764 66.258 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 88.845 91.517 66.841 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 89.516 90.164 66.735 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 76.904 73.985 6.958 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 77.395 73.745 7.743 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 76.294 73.259 6.825 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 72.582 17.712 -8.405 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 73.512 17.915 -8.303 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 72.512 17.340 -9.284 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 63.031 33.092 55.279 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 62.651 33.842 55.736 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 62.694 32.329 55.749 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 73.637 35.655 10.625 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 74.062 34.971 11.142 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 72.718 35.621 10.889 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 63.574 94.771 -10.530 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 64.165 94.412 -9.868 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 63.437 94.050 -11.145 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 42.650 90.517 32.513 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 43.173 89.895 33.019 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 42.028 89.971 32.031 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 69.936 3.321 -12.679 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 70.167 4.164 -13.069 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 70.568 3.204 -11.970 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 69.822 48.106 53.120 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 69.151 48.643 52.698 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 69.330 47.423 53.577 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 41.454 27.238 31.203 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 41.066 27.878 30.606 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 41.865 26.592 30.629 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 89.449 28.204 -19.951 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 88.863 28.228 -19.195 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 88.959 28.637 -20.649 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 20.911 86.893 27.872 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 21.554 87.246 27.258 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 21.435 86.537 28.590 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 51.460 26.941 54.110 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 51.468 27.509 53.340 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 50.807 27.332 54.690 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 77.047 -0.127 48.192 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 77.053 -0.683 47.413 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 77.040 0.767 47.850 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 21.460 10.706 -6.186 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 21.097 11.538 -5.883 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 22.147 10.955 -6.805 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 38.376 25.725 27.792 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 38.353 26.608 27.424 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 38.364 25.146 27.030 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 44.110 95.182 20.321 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 43.885 94.322 19.966 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 44.910 95.032 20.825 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 63.183 33.424 15.530 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 62.952 33.059 14.675 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 62.443 33.199 16.094 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 71.928 55.718 64.137 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 72.333 56.130 63.373 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 72.632 55.667 64.783 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 79.491 41.184 55.067 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 80.112 41.876 54.842 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 79.102 40.930 54.230 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 44.349 22.569 51.997 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 44.941 23.321 52.016 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 44.102 22.481 51.077 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 58.875 39.197 42.655 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 57.980 39.534 42.700 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 59.340 39.821 42.098 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 39.220 4.320 -6.419 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 39.494 3.430 -6.199 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 38.420 4.457 -5.913 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 42.687 16.933 29.780 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 41.782 16.730 29.546 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 43.050 16.101 30.083 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 23.300 79.661 -3.410 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 23.310 79.293 -4.294 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 22.711 79.089 -2.918 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 28.074 25.358 24.745 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 27.375 24.781 24.434 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 28.372 24.956 25.561 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 64.185 83.980 -12.372 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 64.720 83.196 -12.240 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 64.080 84.041 -13.322 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 20.607 1.894 12.753 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 21.557 1.802 12.684 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 20.373 1.393 13.534 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 57.144 11.127 64.551 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 56.761 11.346 65.401 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 56.591 10.423 64.213 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 67.313 60.109 64.389 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 66.650 59.421 64.452 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 67.209 60.463 63.506 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 47.223 57.208 57.591 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 47.752 58.006 57.589 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 46.491 57.405 57.007 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 70.742 24.188 36.737 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 69.998 23.642 36.484 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 71.466 23.572 36.848 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 26.170 56.765 -4.408 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 26.271 55.846 -4.656 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 25.900 57.203 -5.215 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 24.656 12.077 -1.478 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 25.392 12.569 -1.112 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 23.894 12.387 -0.988 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 87.986 78.939 23.663 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 87.783 79.799 23.293 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 87.757 78.320 22.970 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 32.101 35.732 37.928 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 32.291 36.161 37.093 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 31.156 35.839 38.043 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 21.643 15.523 58.069 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 21.643 16.226 57.420 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 22.535 15.517 58.416 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 87.207 75.035 25.444 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 86.481 75.655 25.374 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 86.819 74.186 25.235 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 59.075 21.217 -9.374 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 59.549 21.812 -8.793 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 58.874 20.457 -8.828 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 31.622 72.123 0.429 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 31.337 72.426 1.291 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 32.245 71.421 0.616 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 35.072 14.791 2.128 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 34.665 13.925 2.115 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 34.529 15.320 1.544 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 34.224 12.840 19.757 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 34.403 13.766 19.915 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 33.274 12.760 19.849 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 69.747 38.193 8.906 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 68.958 37.679 8.733 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 69.773 38.278 9.859 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 51.988 22.313 54.264 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 52.148 21.379 54.126 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 51.414 22.567 53.541 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 86.556 39.582 29.688 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 87.193 38.881 29.554 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 86.074 39.630 28.863 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 83.994 42.699 45.383 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 84.070 41.747 45.317 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 83.429 42.946 44.650 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 75.259 58.191 61.356 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 75.696 58.180 60.504 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 74.635 58.914 61.296 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 74.758 36.718 57.505 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 75.593 36.843 57.956 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 74.718 35.777 57.332 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 52.937 89.393 46.321 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 53.068 89.850 47.152 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 53.175 90.036 45.653 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 32.494 17.675 55.607 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 33.326 18.015 55.278 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 32.402 18.066 56.476 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 65.904 85.376 14.612 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 66.006 84.455 14.851 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 66.782 85.748 14.707 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 74.726 24.283 52.925 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 74.784 24.830 52.142 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 74.332 23.466 52.619 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 27.336 52.471 66.885 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 26.970 53.294 66.561 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 27.390 52.589 67.833 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 24.098 82.075 -5.311 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 24.092 82.987 -5.022 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 23.562 81.615 -4.665 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 90.390 31.024 54.725 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 89.526 31.430 54.799 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 90.764 31.400 53.928 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 39.289 51.356 42.779 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 38.693 52.104 42.747 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 40.148 51.741 42.951 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 28.285 4.115 20.861 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 27.557 4.600 20.473 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 27.882 3.325 21.220 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 24.695 86.162 62.732 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 24.524 85.672 63.536 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 25.587 86.493 62.838 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 72.477 62.670 -5.507 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 71.527 62.577 -5.577 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 72.738 61.994 -4.881 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 44.499 93.608 7.932 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 45.020 93.635 7.129 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 43.845 92.928 7.771 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 83.772 66.058 23.573 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 84.129 65.389 22.987 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 82.976 66.359 23.136 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 58.885 36.232 50.812 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 59.240 37.077 50.535 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 58.029 36.180 50.386 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 89.849 52.580 -6.674 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 89.468 52.264 -7.493 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 89.797 53.533 -6.737 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 87.969 19.511 12.963 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 87.561 19.025 12.247 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 88.868 19.184 12.994 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 60.073 89.191 -17.267 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 60.512 89.633 -17.994 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 59.427 88.623 -17.687 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 25.746 26.179 57.923 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 26.132 26.098 57.051 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 26.188 26.934 58.312 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 21.713 40.733 3.344 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 22.486 41.095 2.909 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 21.769 41.059 4.242 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 33.258 39.495 48.285 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 33.777 40.194 48.684 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 33.566 39.454 47.380 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 46.124 84.067 56.458 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 45.931 84.855 56.965 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 46.218 83.376 57.114 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 23.932 1.773 47.166 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 23.051 1.413 47.271 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 24.241 1.914 48.061 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 60.832 67.487 30.307 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 61.051 66.934 29.558 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 59.880 67.422 30.384 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 57.660 26.979 49.301 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 57.533 27.574 50.040 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 58.111 27.506 48.642 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 58.979 68.241 -3.385 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 59.207 68.029 -4.290 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 58.528 67.461 -3.062 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 25.760 43.702 -10.538 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 24.819 43.732 -10.711 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 25.826 43.471 -9.612 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 56.171 63.272 27.561 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 56.130 62.356 27.285 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 56.219 63.233 28.517 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 35.041 59.100 59.399 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 35.764 58.536 59.124 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 34.692 59.457 58.582 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 90.012 44.171 31.994 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 89.271 43.691 32.363 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 89.717 44.435 31.122 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 67.260 70.090 58.030 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 66.750 69.449 57.535 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 67.014 70.935 57.655 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 47.670 52.290 -4.271 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 48.587 52.189 -4.014 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 47.460 53.200 -4.059 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 71.918 59.539 -6.918 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 71.253 60.170 -6.645 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 71.419 58.780 -7.220 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 41.296 30.394 -9.688 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 41.015 30.503 -8.780 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 40.491 30.191 -10.166 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 47.059 5.267 21.353 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 46.156 5.407 21.638 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 47.014 4.500 20.782 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 68.864 15.649 -0.433 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 68.234 15.743 0.281 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 68.341 15.749 -1.229 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 35.765 66.696 50.788 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 35.411 67.482 50.372 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 36.219 66.234 50.083 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 85.576 25.931 51.695 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 86.356 26.017 52.242 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 85.838 25.335 50.993 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 57.553 68.707 -9.837 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 58.348 68.586 -9.318 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 57.448 69.656 -9.898 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 39.063 28.652 41.898 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 39.438 28.845 41.039 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 38.863 29.511 42.271 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 63.964 49.612 43.634 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 63.541 50.115 44.329 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 64.890 49.847 43.696 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 32.202 21.839 24.939 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 32.816 22.527 25.196 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 32.414 21.659 24.022 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 26.727 47.075 36.650 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 26.321 47.109 35.784 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 27.365 46.364 36.588 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 73.178 27.930 9.501 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 73.387 28.227 10.387 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 72.591 27.185 9.629 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 46.607 64.945 -12.546 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 45.927 64.678 -13.164 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 46.518 64.335 -11.814 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 45.049 78.644 28.323 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 45.911 78.287 28.540 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 44.520 77.878 28.104 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 84.659 12.283 -2.782 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 84.398 12.012 -3.662 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 85.586 12.049 -2.724 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 44.981 76.775 8.968 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 44.372 76.243 8.455 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 45.763 76.841 8.420 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 20.884 50.309 14.425 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 20.605 51.116 13.991 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 21.631 50.006 13.909 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 30.058 41.144 42.862 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 30.692 41.816 42.613 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 29.260 41.630 43.066 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 37.846 89.988 28.898 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 37.991 90.285 28.000 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 38.348 89.177 28.968 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 74.314 9.955 66.313 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 73.984 9.557 65.507 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 73.789 9.560 67.009 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 54.449 8.492 -19.027 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 55.325 8.162 -19.226 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 54.601 9.333 -18.596 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 64.749 96.134 21.082 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 64.762 95.346 20.539 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 63.922 96.082 21.561 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 82.755 80.457 39.332 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 81.934 80.949 39.336 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 82.496 79.555 39.518 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 57.999 52.074 -14.885 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 58.012 51.857 -13.953 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 58.852 51.786 -15.210 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 67.027 34.314 53.448 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 67.315 35.222 53.359 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 66.501 34.151 52.665 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 71.588 76.950 31.231 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 71.517 76.676 30.317 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 70.694 76.896 31.568 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 68.049 54.601 8.447 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 68.525 54.895 9.223 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 67.149 54.479 8.749 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 67.370 25.984 44.875 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 66.814 26.752 45.007 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 68.145 26.323 44.427 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 79.772 96.443 -12.631 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 79.100 96.017 -12.097 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 80.567 96.392 -12.101 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 53.951 31.598 34.739 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 54.055 32.510 35.012 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 53.091 31.569 34.319 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 44.810 69.749 30.426 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 45.684 70.132 30.489 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 44.508 69.688 31.332 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 70.283 30.765 25.377 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 70.471 31.664 25.106 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 70.836 30.626 26.146 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 46.065 54.028 -16.779 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 45.114 54.093 -16.692 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 46.399 54.212 -15.901 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 90.083 88.740 38.404 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 89.758 88.325 37.605 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 91.032 88.616 38.370 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 62.711 48.935 -5.963 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 62.227 49.181 -5.175 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 62.956 48.020 -5.819 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 63.477 90.456 66.797 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 63.993 91.131 67.239 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 62.657 90.419 67.290 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 47.982 31.590 34.402 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 48.587 31.988 35.027 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 47.808 32.281 33.763 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 61.408 44.770 46.796 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 61.477 44.567 45.863 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 60.580 45.243 46.877 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 36.986 30.792 2.289 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 36.038 30.907 2.225 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 37.096 29.934 2.699 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 50.414 54.917 43.147 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 50.954 55.640 43.466 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 49.533 55.119 43.460 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 39.829 37.705 55.850 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 40.368 37.033 55.434 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 40.283 37.902 56.670 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 36.755 55.718 25.141 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 36.422 56.601 25.295 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 37.690 55.775 25.340 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 75.301 54.009 61.319 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 74.353 54.124 61.373 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 75.529 54.301 60.436 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 77.719 40.758 46.958 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 77.509 40.266 46.164 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 78.675 40.775 46.985 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 53.087 42.784 -12.380 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 52.649 43.033 -11.566 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 53.717 42.113 -12.118 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 60.991 54.166 67.159 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 60.558 55.013 67.263 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 61.865 54.381 66.834 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 54.828 15.603 52.593 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 55.723 15.677 52.262 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 54.535 14.740 52.301 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 44.328 25.319 47.130 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 44.215 25.082 48.050 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 44.565 26.247 47.148 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 59.555 82.212 -16.979 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 59.327 81.534 -17.615 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 59.509 83.030 -17.474 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 35.674 89.497 5.376 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 34.844 89.264 4.959 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 36.068 90.138 4.785 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 24.941 88.304 -14.323 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 24.395 87.575 -14.029 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 25.714 88.267 -13.760 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 65.978 20.623 -11.375 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 65.500 21.297 -11.859 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 65.922 20.901 -10.460 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 89.183 57.605 25.989 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 88.650 57.402 25.221 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 90.086 57.501 25.689 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 36.456 95.480 6.456 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 37.156 94.932 6.813 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 35.934 95.729 7.219 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 78.952 21.413 47.524 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 79.455 22.200 47.314 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 79.178 20.792 46.832 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 84.974 82.749 -17.487 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 85.688 83.314 -17.781 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 85.411 82.001 -17.079 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 50.064 45.787 67.114 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 49.524 45.000 67.045 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 49.844 46.297 66.334 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 75.506 35.784 8.426 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 76.248 35.751 9.030 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 74.899 36.407 8.825 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 59.702 6.110 -4.420 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 59.334 5.965 -3.548 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 60.545 6.533 -4.258 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 36.244 21.130 45.185 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 35.645 21.437 45.865 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 36.635 20.336 45.550 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 42.375 37.176 -8.295 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 42.850 37.963 -8.029 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 41.560 37.504 -8.674 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 77.386 77.249 35.013 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 77.749 76.364 35.004 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 76.712 77.226 35.692 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 90.730 27.279 24.565 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 89.883 26.921 24.298 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 91.223 27.363 23.749 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 34.487 75.399 41.074 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 34.860 74.560 41.346 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 34.515 75.376 40.118 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 26.437 55.195 46.192 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 26.105 54.995 47.067 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 26.397 54.360 45.724 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 81.216 96.820 -0.489 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 80.788 95.972 -0.603 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 82.131 96.605 -0.305 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 74.513 14.026 56.975 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 75.238 14.486 57.397 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 74.797 13.112 56.940 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 45.811 7.701 65.807 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 46.065 6.786 65.691 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 46.641 8.176 65.856 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 39.756 74.772 63.970 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 40.439 74.891 64.630 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 39.649 73.823 63.905 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 76.010 73.887 -16.190 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 75.830 73.085 -15.700 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 75.153 74.295 -16.306 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 89.636 1.282 42.742 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 89.646 0.438 42.289 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 90.214 1.157 43.495 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 71.046 41.146 15.142 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 70.340 41.467 14.580 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 71.641 41.891 15.228 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 50.710 24.928 45.403 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 50.782 25.799 45.013 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 51.497 24.840 45.940 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 72.981 6.043 14.005 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 73.279 6.574 14.743 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 73.130 5.139 14.284 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 21.142 83.300 28.698 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 21.998 83.416 28.286 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 20.543 83.814 28.157 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 32.856 0.943 3.513 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 32.942 0.249 2.860 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 32.265 0.580 4.173 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 80.480 13.023 -4.472 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 80.153 13.298 -5.328 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 80.631 13.841 -3.998 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 21.725 8.504 40.134 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 21.398 8.124 39.319 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 22.211 9.282 39.858 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 49.412 75.453 40.681 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 50.178 75.810 40.233 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 48.837 76.207 40.813 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 49.433 83.284 29.451 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 49.260 82.445 29.024 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 50.071 83.079 30.135 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 37.012 57.494 8.549 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 37.168 58.082 9.288 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 37.553 56.727 8.734 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 51.255 6.063 31.324 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 51.888 6.222 30.624 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 51.033 6.935 31.649 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 70.019 51.246 27.936 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 70.349 51.513 27.078 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 69.181 51.701 28.023 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 81.571 44.236 58.593 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 82.525 44.300 58.648 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 81.257 44.655 59.394 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 77.480 1.049 58.472 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 77.511 1.696 57.768 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 78.349 1.087 58.872 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 26.538 21.914 2.099 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 26.800 22.760 2.462 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 25.777 22.113 1.553 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 27.408 46.609 5.091 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 27.838 46.149 5.811 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 27.968 47.366 4.921 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 30.258 21.871 12.853 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 30.042 22.681 13.315 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 31.177 21.972 12.607 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 53.257 12.951 51.947 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 52.502 13.436 51.613 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 53.230 12.115 51.483 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 77.369 53.139 32.634 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 76.658 53.771 32.742 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 77.771 53.371 31.797 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 47.798 82.801 61.723 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 47.781 81.891 61.426 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 48.690 82.931 62.045 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 42.991 9.455 51.695 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 43.444 10.219 51.337 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 43.559 8.716 51.481 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 88.689 23.842 35.879 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 88.573 23.757 36.825 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 89.205 24.641 35.771 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 51.578 40.924 -9.083 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 51.513 39.970 -9.038 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 51.245 41.227 -8.238 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 35.679 81.065 20.062 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 36.130 80.248 19.847 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 35.498 81.000 20.999 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 76.050 76.179 -18.749 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 75.128 76.014 -18.946 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 76.305 76.873 -19.357 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 31.581 73.533 33.557 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 32.248 73.570 32.872 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 32.076 73.399 34.366 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 84.601 0.233 64.101 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 84.201 -0.382 63.486 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 83.883 0.502 64.673 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 69.596 23.539 64.234 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 69.203 24.070 63.541 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 69.361 23.991 65.044 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 31.928 30.067 -15.520 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 32.101 30.300 -14.608 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 32.334 30.769 -16.029 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 31.463 1.772 23.062 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 31.593 2.459 22.409 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 30.589 1.428 22.877 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 73.930 8.315 -0.375 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 73.255 8.058 0.254 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 73.559 8.093 -1.229 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 65.322 55.667 -14.355 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 65.099 56.592 -14.246 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 66.168 55.675 -14.804 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 80.047 20.008 58.049 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 80.452 19.182 58.314 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 80.110 20.565 58.824 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 26.268 13.507 49.216 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 26.630 13.994 49.956 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 26.169 12.612 49.543 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 64.847 4.224 23.391 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 64.481 3.704 22.675 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 64.950 3.602 24.111 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 74.371 59.300 44.876 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 74.575 59.599 45.763 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 73.426 59.150 44.886 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 62.864 68.601 67.171 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 62.244 68.396 66.471 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 63.688 68.782 66.717 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 77.186 36.431 37.702 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 77.976 36.095 38.124 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 76.506 35.796 37.925 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 54.116 90.795 -15.063 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 53.382 90.313 -14.683 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 54.857 90.594 -14.492 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 84.624 20.365 58.176 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 85.463 19.918 58.290 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 84.018 19.674 57.909 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 49.387 54.568 -1.821 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 49.134 55.491 -1.790 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 48.758 54.127 -1.249 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 23.908 19.267 47.373 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 23.093 19.739 47.205 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 24.441 19.423 46.593 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 87.835 93.096 2.543 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 87.993 93.198 1.605 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 88.474 92.441 2.825 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 24.093 30.114 64.221 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 23.672 30.225 63.369 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 23.751 30.832 64.753 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 51.235 21.012 31.714 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 51.921 21.061 31.049 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 50.418 20.991 31.215 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 20.091 10.970 -12.039 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 21.016 11.169 -12.184 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 19.727 10.867 -12.918 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 62.095 53.551 57.661 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 61.162 53.429 57.836 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 62.177 53.451 56.713 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 32.609 25.579 -4.397 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 31.893 25.672 -5.025 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 33.395 25.506 -4.938 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 41.866 42.417 25.969 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 42.780 42.554 25.720 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 41.378 43.059 25.453 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 63.145 94.371 -15.085 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 63.138 94.810 -15.935 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 63.504 93.503 -15.266 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 73.962 14.354 63.935 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 74.452 14.292 63.114 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 73.557 15.221 63.907 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 26.081 35.280 39.468 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 25.613 35.895 40.033 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 26.075 35.694 38.605 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 79.896 95.368 65.467 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 79.630 95.297 64.550 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 79.164 95.811 65.896 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 43.072 25.137 40.328 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 43.990 25.181 40.595 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 42.779 26.048 40.326 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 58.225 93.203 40.043 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 57.318 93.240 39.740 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 58.622 92.501 39.527 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 55.080 89.716 65.700 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 55.063 89.070 64.994 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 55.782 90.319 65.456 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 54.354 44.748 -8.300 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 53.654 45.343 -8.571 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 54.672 45.112 -7.473 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 77.286 64.512 37.625 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 77.442 64.732 36.707 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 76.926 65.313 38.006 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 38.010 50.028 58.756 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 37.816 50.929 59.014 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 38.151 50.075 57.810 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 73.511 10.408 39.984 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 72.810 9.767 40.103 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 73.891 10.513 40.856 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 32.545 23.762 48.788 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 32.563 23.008 48.199 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 32.265 23.403 49.630 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 87.357 65.743 -16.699 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 87.548 66.660 -16.500 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 86.428 65.641 -16.491 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 53.134 21.809 15.397 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 52.428 22.412 15.629 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 52.696 20.969 15.258 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 26.992 51.560 15.272 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 27.602 51.200 14.628 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 26.973 50.908 15.973 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 90.283 82.145 -8.406 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 91.143 81.846 -8.112 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 89.719 81.377 -8.317 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 76.948 10.679 -10.266 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 76.133 11.182 -10.280 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 77.320 10.849 -9.401 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 86.747 25.948 5.318 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 85.880 25.549 5.390 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 87.241 25.348 4.759 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 52.438 27.883 -15.018 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 52.385 27.662 -14.088 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 51.641 28.385 -15.190 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 43.190 30.092 -17.093 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 43.079 30.018 -16.145 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 44.047 30.503 -17.203 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 34.298 8.644 -11.076 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 34.590 7.747 -10.911 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 34.225 8.700 -12.029 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 28.998 24.801 34.430 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 28.316 24.714 33.764 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 29.344 23.915 34.536 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 70.182 25.030 44.151 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 70.044 25.792 43.590 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 71.061 24.722 43.927 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 80.356 13.364 46.310 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 81.202 13.542 46.720 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 80.321 13.962 45.563 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 41.014 38.060 51.734 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 40.983 38.041 50.777 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 40.097 38.014 52.005 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 85.681 93.020 45.994 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 84.977 92.844 46.618 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 85.293 93.622 45.359 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 29.662 15.798 1.118 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 29.871 15.670 0.192 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 30.223 16.524 1.392 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 76.727 61.022 29.376 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 76.351 61.655 28.763 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 77.534 61.434 29.682 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 78.107 13.444 -2.598 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 77.842 14.205 -3.115 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 78.846 13.072 -3.079 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 51.293 50.274 -19.457 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 50.939 51.039 -19.912 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 50.520 49.800 -19.150 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 90.380 30.635 -9.465 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 90.348 29.765 -9.863 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 90.425 31.237 -10.207 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 82.026 63.496 24.559 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 82.532 64.085 24.000 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 81.496 62.983 23.950 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 46.483 33.328 65.746 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 47.274 33.779 66.041 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 45.913 33.316 66.514 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 30.404 24.466 -9.988 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 30.033 23.888 -9.321 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 31.107 24.933 -9.537 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 65.796 38.925 51.503 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 64.874 39.172 51.579 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 65.777 37.990 51.299 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 71.579 28.081 61.750 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 71.094 27.829 62.536 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 71.872 27.252 61.372 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 79.127 78.350 0.080 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 79.264 79.289 -0.043 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 79.493 78.165 0.945 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 39.219 96.724 56.542 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 39.188 96.542 55.603 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 38.364 96.443 56.869 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 31.204 15.356 54.487 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 30.955 15.747 53.650 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 31.669 16.054 54.949 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 89.090 9.512 47.674 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 89.870 9.343 47.146 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 89.431 9.754 48.535 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 48.853 44.677 -11.612 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 48.606 45.208 -10.854 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 49.681 44.269 -11.359 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 43.294 33.981 58.908 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 44.082 34.435 59.207 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 43.416 33.075 59.191 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 43.714 60.471 -18.720 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 43.548 60.218 -19.628 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 44.591 60.853 -18.733 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 22.984 41.414 -14.997 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 23.412 41.054 -15.774 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 23.685 41.487 -14.349 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 88.221 22.346 -7.086 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 87.917 21.454 -6.914 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 89.166 22.309 -6.938 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 25.509 60.963 61.655 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 24.593 60.769 61.854 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 25.574 60.867 60.705 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 59.019 48.857 -3.576 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 58.444 48.127 -3.344 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 58.465 49.633 -3.495 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 55.904 8.906 52.175 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 55.363 8.897 52.964 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 56.416 9.711 52.244 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 52.765 23.571 49.561 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 51.832 23.556 49.775 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 53.039 22.655 49.619 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 68.306 90.343 3.844 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 68.498 90.240 2.912 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 68.175 91.284 3.960 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 90.377 77.267 65.256 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 90.648 78.132 65.562 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 91.033 77.028 64.601 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 21.243 24.729 48.122 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 22.066 24.347 48.426 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 20.680 23.976 47.942 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 26.143 66.814 -16.753 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 26.686 66.384 -16.094 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 26.716 66.906 -17.514 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 44.782 34.455 3.530 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 44.310 33.826 4.076 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 45.301 34.968 4.150 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 79.198 60.294 24.981 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 78.617 61.032 25.166 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 78.640 59.655 24.537 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 43.600 39.085 55.340 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 43.791 38.154 55.222 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 43.426 39.408 54.456 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 31.509 86.942 66.516 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 32.417 86.845 66.227 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 31.557 86.915 67.471 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 60.926 65.397 55.084 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 60.148 65.697 55.556 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 60.617 65.233 54.193 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 69.344 59.104 11.813 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 70.010 58.421 11.883 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 68.568 58.650 11.484 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 90.455 81.905 -15.408 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 89.593 81.532 -15.222 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 90.981 81.688 -14.639 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 80.238 14.288 61.506 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 80.526 14.051 60.625 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 79.933 13.465 61.888 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 26.430 16.046 -14.862 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 26.556 16.850 -14.358 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 26.208 16.347 -15.743 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 38.538 37.131 52.600 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 38.307 37.549 51.771 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 38.837 36.256 52.353 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 67.472 33.138 47.069 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 68.303 32.834 46.702 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 66.955 33.399 46.306 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 39.804 17.688 61.019 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 40.650 17.787 61.457 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 39.557 16.777 61.179 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 31.827 18.678 61.198 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 31.115 18.157 61.569 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 31.703 18.615 60.251 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 28.809 62.552 -9.108 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 29.159 61.976 -9.787 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 28.697 61.985 -8.345 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 40.484 94.653 -7.462 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 41.300 94.670 -7.961 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 39.877 94.158 -8.012 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 90.561 16.441 2.654 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 89.729 16.883 2.819 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 90.410 15.936 1.855 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 48.085 22.708 33.501 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 47.877 22.951 32.599 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 48.099 23.539 33.976 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 85.437 95.110 -14.301 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 86.181 94.538 -14.113 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 85.500 95.285 -15.240 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 46.628 6.718 17.688 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 46.617 7.659 17.511 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 45.740 6.520 17.985 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 36.013 28.078 33.741 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 36.066 28.536 34.580 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 36.782 27.509 33.729 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 64.578 75.344 53.928 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 64.529 76.279 53.725 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 65.454 75.223 54.294 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 88.472 60.546 46.197 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 88.071 60.280 47.025 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 88.486 59.747 45.670 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 82.279 10.681 57.762 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 82.245 11.461 57.207 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 81.527 10.770 58.347 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 83.366 59.625 19.525 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 82.802 60.194 20.049 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 83.351 60.012 18.650 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 68.122 24.905 -3.057 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 68.891 24.372 -2.856 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 67.491 24.683 -2.373 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 23.146 23.486 49.377 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 23.752 22.745 49.368 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 23.168 23.803 50.280 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 27.200 68.114 36.200 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 28.004 67.741 35.839 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 26.707 68.407 35.433 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 58.608 17.788 49.727 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 58.237 17.380 50.509 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 59.066 17.077 49.278 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 26.811 54.543 34.105 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 25.893 54.291 34.213 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 27.141 53.959 33.423 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 57.173 18.152 36.062 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 58.025 18.333 35.665 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 56.699 17.654 35.396 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 89.684 65.325 -15.011 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 89.640 66.141 -14.513 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 88.999 65.412 -15.675 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 26.070 74.305 -0.153 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 26.065 73.605 -0.805 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 26.993 74.540 -0.060 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 85.975 8.526 59.158 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 85.129 8.878 59.433 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 86.620 9.064 59.618 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 88.678 79.819 -9.210 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 88.855 78.894 -9.038 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 87.757 79.934 -8.976 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 62.657 23.405 34.944 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 63.187 23.780 35.648 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 63.220 23.447 34.171 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 65.316 87.185 58.716 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 65.785 87.298 57.889 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 64.627 87.849 58.694 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 83.337 87.591 62.805 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 82.858 87.530 61.978 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 83.451 86.683 63.084 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 90.336 87.392 54.388 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 90.642 88.224 54.750 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 90.949 87.198 53.680 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 25.184 65.135 -2.409 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 24.549 65.852 -2.403 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 24.653 64.345 -2.511 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 38.287 22.716 -17.700 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 38.024 22.803 -16.784 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 38.784 23.513 -17.884 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 84.111 23.586 -5.242 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 83.989 23.577 -4.293 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 83.817 22.721 -5.530 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 55.878 37.153 7.644 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 56.314 37.925 8.005 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 55.157 36.980 8.249 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 89.184 8.722 -4.110 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 88.371 9.200 -4.270 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 89.213 8.060 -4.801 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 85.857 96.657 12.217 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 86.234 96.192 11.470 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 86.600 96.818 12.799 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 24.631 30.679 42.363 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 24.392 30.265 41.534 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 23.796 30.830 42.806 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 77.835 49.643 42.618 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 77.073 49.104 42.833 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 77.509 50.272 41.974 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 36.490 82.474 -18.389 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 36.697 83.302 -17.955 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 37.327 82.012 -18.437 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 72.606 8.462 59.794 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 72.149 7.649 60.008 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 72.059 9.151 60.169 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 72.776 57.400 -16.884 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 72.703 58.336 -17.070 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 73.568 57.322 -16.352 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 59.603 14.822 63.008 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 58.821 14.378 63.335 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 60.046 14.164 62.473 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 61.058 79.024 -13.064 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 61.019 79.038 -12.108 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 61.671 78.318 -13.270 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 87.404 68.131 42.436 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 87.158 67.939 41.531 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 87.451 67.274 42.859 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 56.431 55.013 0.131 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 57.364 55.230 0.121 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 56.036 55.678 0.695 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 69.007 41.633 19.702 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 68.269 42.057 20.138 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 69.243 42.230 18.992 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 65.609 88.050 -2.702 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 65.622 87.350 -3.355 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 66.275 87.795 -2.064 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 72.753 86.159 -2.585 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 73.408 86.324 -1.907 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 73.259 85.857 -3.339 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 58.204 2.859 54.481 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 58.828 2.272 54.907 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 57.346 2.493 54.694 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 82.450 6.500 52.229 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 83.275 6.324 52.682 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 82.390 7.455 52.204 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 83.486 92.611 47.498 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 83.661 91.741 47.856 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 82.540 92.724 47.594 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 47.454 83.375 45.593 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 48.394 83.305 45.764 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 47.063 83.506 46.457 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 35.064 67.506 37.119 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 35.475 68.363 37.009 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 35.646 66.899 36.663 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 40.012 7.104 -19.126 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 40.278 7.058 -20.044 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 39.075 7.298 -19.157 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 45.795 26.063 64.137 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 45.781 26.628 64.910 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 45.844 26.669 63.398 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 46.516 37.295 31.291 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 47.048 37.105 30.518 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 47.119 37.199 32.028 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 71.347 83.555 -2.146 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 72.028 84.203 -1.968 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 70.563 84.073 -2.328 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 65.531 50.743 -9.427 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 64.757 50.712 -8.866 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 66.268 50.789 -8.818 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 29.591 32.553 4.424 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 28.876 32.784 3.831 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 30.275 33.197 4.239 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 73.756 54.245 -2.342 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 73.611 55.181 -2.202 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 73.356 53.824 -1.581 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 68.392 25.152 47.155 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 68.170 25.295 46.235 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 69.232 25.597 47.271 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 87.625 15.803 60.712 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 88.230 15.100 60.474 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 86.920 15.362 61.186 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 54.951 86.042 62.734 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 55.179 85.241 62.261 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 53.994 86.051 62.741 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 73.809 74.568 41.922 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 73.360 73.752 41.703 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 73.506 75.194 41.264 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 75.464 32.811 -0.605 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 74.886 32.362 0.012 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 74.874 33.162 -1.273 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 27.185 6.969 -7.370 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 26.552 6.958 -6.652 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 27.139 7.860 -7.717 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 43.486 19.283 50.108 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 43.397 20.164 50.471 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 43.537 19.417 49.162 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 37.117 93.067 16.088 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 37.505 93.694 16.698 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 36.999 93.562 15.277 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 30.956 33.865 -17.572 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 30.251 33.218 -17.544 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 30.665 34.563 -16.986 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 69.954 82.282 -12.638 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 70.349 81.758 -13.335 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 69.451 81.654 -12.121 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 27.889 70.455 13.773 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 28.235 70.999 14.479 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 27.556 69.673 14.214 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 76.638 22.454 61.987 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 76.662 23.308 62.418 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 77.476 22.048 62.210 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 37.510 31.854 45.351 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 37.530 32.777 45.603 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 38.256 31.465 45.808 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 36.080 30.161 48.258 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 35.635 30.876 48.713 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 35.981 30.370 47.329 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 75.843 61.774 19.286 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 75.656 61.837 18.349 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 76.407 62.525 19.469 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 44.518 4.643 -20.056 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 44.450 4.826 -19.119 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 43.769 5.096 -20.443 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 38.473 26.667 62.870 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 39.110 27.161 63.387 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 37.930 26.222 63.520 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 38.685 93.922 23.848 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 38.852 94.853 23.701 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 37.864 93.899 24.338 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 58.319 35.738 -10.766 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 57.573 36.337 -10.783 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 58.981 36.193 -10.247 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 80.083 34.774 42.433 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 80.664 34.013 42.451 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 80.456 35.376 43.077 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 37.980 36.098 18.745 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 38.287 36.692 19.430 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 38.724 36.014 18.149 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 88.916 70.418 25.789 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 88.983 70.068 24.901 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 89.820 70.607 26.041 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 64.907 92.921 60.983 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 65.608 92.350 61.296 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 65.023 92.945 60.033 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 76.539 40.587 54.790 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 76.535 40.389 53.853 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 75.884 39.996 55.162 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 50.583 53.776 63.197 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 50.323 53.342 64.010 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 50.813 53.060 62.605 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 75.197 5.344 -10.547 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 75.389 5.552 -9.633 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 75.347 4.401 -10.615 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 45.123 0.680 -11.433 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 44.429 0.942 -12.038 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 44.821 0.981 -10.576 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 64.637 38.117 54.513 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 64.960 39.016 54.558 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 64.803 37.758 55.385 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 29.262 45.531 6.898 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 29.492 45.854 6.027 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 29.731 46.109 7.500 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 43.521 85.612 46.637 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 44.105 86.369 46.690 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 42.642 85.990 46.592 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 33.789 40.568 59.555 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 33.855 41.508 59.725 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 34.253 40.440 58.728 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 34.983 38.242 37.665 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 34.964 38.151 36.712 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 35.799 38.708 37.845 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 72.585 55.957 42.612 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 72.283 56.189 41.734 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 72.580 55.000 42.623 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 20.943 32.234 52.592 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 21.171 33.104 52.264 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 21.784 31.793 52.710 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 84.570 96.744 46.557 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 84.669 96.459 45.649 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 83.656 96.555 46.770 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 60.820 70.930 51.145 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 61.612 70.890 50.609 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 60.668 70.024 51.416 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 34.589 58.928 27.756 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 35.369 59.221 28.227 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 34.896 58.202 27.212 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 90.141 88.188 49.889 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 89.474 88.740 49.481 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 89.961 87.309 49.556 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 87.207 49.821 53.570 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 87.459 50.092 52.687 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 86.808 50.601 53.956 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 36.135 33.516 1.544 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 35.209 33.601 1.769 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 36.424 34.413 1.375 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 74.099 28.732 57.290 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 74.624 28.126 57.813 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 74.021 28.306 56.437 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 25.975 25.966 -16.677 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 26.047 26.920 -16.698 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 26.639 25.688 -16.046 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 89.857 61.125 58.192 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 90.459 60.384 58.252 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 89.759 61.278 57.252 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 35.546 4.591 -16.778 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 34.780 5.165 -16.775 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 35.366 3.946 -16.094 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 61.249 44.443 43.384 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 61.291 44.383 42.430 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 60.962 45.340 43.556 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 85.656 22.066 53.454 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 85.913 21.931 54.366 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 84.732 22.312 53.499 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 58.651 1.211 28.459 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 57.891 1.657 28.833 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 58.296 0.705 27.728 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 31.216 21.099 2.688 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 30.952 21.665 1.962 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 30.982 21.592 3.474 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 80.807 41.403 48.294 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 81.566 41.972 48.163 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 80.139 41.977 48.668 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 68.295 23.817 -11.176 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 68.009 24.220 -11.996 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 69.241 23.966 -11.153 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 21.324 56.442 7.468 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 21.012 57.098 8.092 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 22.270 56.583 7.425 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 35.497 73.177 18.226 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 35.550 72.493 17.558 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 36.347 73.150 18.665 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 74.383 82.624 -7.700 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 73.429 82.610 -7.621 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 74.688 82.984 -6.868 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 79.588 29.012 63.226 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 79.059 29.183 62.447 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 79.518 29.813 63.745 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 89.005 48.679 -18.005 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 89.652 48.362 -17.375 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 88.964 47.994 -18.671 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 56.359 18.034 64.474 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 56.204 18.918 64.807 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 55.493 17.721 64.212 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 69.313 22.162 11.171 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 68.902 21.617 11.843 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 70.029 22.605 11.626 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 43.034 49.052 65.524 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 42.253 49.595 65.413 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 43.624 49.585 66.057 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 72.349 9.492 6.524 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 71.459 9.598 6.860 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 72.700 8.743 7.006 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 24.473 49.163 -15.043 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 25.275 49.452 -15.480 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 23.793 49.246 -15.711 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 77.664 75.790 -15.117 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 77.318 76.428 -14.494 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 77.003 75.098 -15.144 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 72.825 36.443 62.393 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 72.189 37.112 62.644 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 72.294 35.675 62.180 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 28.978 89.936 14.068 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 28.768 89.123 14.528 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 29.650 90.351 14.609 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 68.195 65.693 47.394 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 67.789 64.842 47.228 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 68.814 65.809 46.673 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 79.094 68.301 30.643 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 79.043 67.642 31.335 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 78.199 68.370 30.310 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 59.217 70.525 33.649 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 58.622 71.114 33.184 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 58.672 69.778 33.894 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 85.923 7.837 -13.035 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 86.436 7.363 -13.690 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 86.575 8.268 -12.484 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 39.001 41.900 62.017 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 38.761 41.871 61.090 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 39.836 41.434 62.063 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 46.781 49.278 65.988 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 46.206 49.963 65.649 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 47.654 49.523 65.680 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 58.450 9.255 35.756 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 58.850 9.744 36.476 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 58.589 9.806 34.986 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 53.023 78.272 38.822 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 52.491 78.682 39.504 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 52.978 78.880 38.084 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 34.553 43.533 -16.049 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 34.752 42.630 -15.802 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 34.665 43.551 -17.000 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 89.882 40.015 46.718 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 89.713 40.580 47.471 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 89.968 39.138 47.090 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 58.890 88.108 32.611 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 58.986 87.233 32.237 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 58.001 88.374 32.374 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 59.166 75.386 59.583 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 59.530 74.936 58.821 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 58.783 74.687 60.114 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 21.031 88.100 44.697 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 21.323 88.142 43.787 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 21.470 87.328 45.055 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 70.863 8.806 36.898 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 71.452 8.119 37.208 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 71.359 9.617 37.012 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 28.237 56.516 -16.094 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 27.886 55.983 -15.380 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 27.498 56.634 -16.690 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 66.879 89.297 23.004 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 67.220 88.759 23.718 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 67.524 89.998 22.903 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 73.660 52.492 29.798 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 73.597 52.207 30.709 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 74.079 51.760 29.346 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 54.728 64.082 63.578 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 54.446 63.181 63.735 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 54.074 64.620 64.024 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 81.216 48.134 58.528 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 81.051 48.804 59.192 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 81.666 47.433 59.000 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 73.536 54.232 -6.997 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 74.471 54.161 -6.803 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 73.171 53.388 -6.731 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 34.970 6.717 30.615 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 34.435 7.119 29.930 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 34.401 6.053 31.005 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 75.880 49.724 -17.962 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 76.796 49.715 -18.243 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 75.656 48.801 -17.845 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 89.305 8.983 64.924 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 89.163 9.415 65.766 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 90.253 9.016 64.795 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 20.326 26.777 1.469 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 20.336 26.922 2.415 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 20.648 27.598 1.097 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 72.352 60.613 42.268 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 71.699 59.926 42.401 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 71.997 61.146 41.556 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 40.807 71.597 56.317 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 40.935 72.266 55.644 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 41.351 71.885 57.049 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 32.637 42.613 51.389 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 32.722 42.475 50.446 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 33.497 42.932 51.663 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 78.483 48.719 66.273 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 77.746 49.300 66.089 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 79.105 48.887 65.565 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 46.018 1.752 21.530 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 45.716 1.457 20.671 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 45.231 2.092 21.957 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 79.087 6.391 59.310 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 79.268 5.631 58.756 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 79.516 7.121 58.863 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 87.019 70.469 60.473 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 87.020 71.321 60.037 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 86.338 69.969 60.023 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 44.068 64.486 55.410 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 44.977 64.240 55.585 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 44.123 65.376 55.063 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 32.105 0.367 44.370 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 32.546 0.602 45.186 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 31.653 -0.453 44.569 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 73.476 83.600 40.946 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 73.728 84.087 41.730 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 72.799 82.994 41.247 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 71.040 34.944 60.670 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 70.927 35.889 60.564 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 70.841 34.580 59.807 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 60.384 56.804 -20.097 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 60.201 57.225 -19.257 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 60.831 57.478 -20.610 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 41.875 68.500 15.726 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 42.009 67.599 15.434 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 40.926 68.584 15.819 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 60.732 48.094 -17.875 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 61.204 48.770 -17.389 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 60.737 48.402 -18.782 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 60.246 21.079 65.991 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 60.485 21.827 66.539 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 60.670 20.330 66.410 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 67.231 51.555 -12.169 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 66.788 51.747 -11.342 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 67.440 52.414 -12.534 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 76.184 79.266 48.835 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 76.901 79.297 48.201 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 75.815 80.149 48.822 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 41.524 43.998 13.867 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 41.466 44.028 14.821 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 41.732 44.896 13.610 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 66.430 26.440 57.781 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 66.753 27.312 58.006 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 67.094 26.083 57.191 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 23.671 88.065 30.724 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 24.400 87.613 31.150 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 23.858 87.995 29.788 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 26.271 55.783 42.801 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 26.757 55.221 42.197 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 25.621 56.220 42.251 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 73.294 57.314 3.992 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 72.457 57.360 4.453 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 73.953 57.361 4.685 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 60.072 95.685 38.429 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 60.043 96.619 38.637 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 60.523 95.288 39.175 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 72.967 60.925 64.507 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 73.266 60.421 63.750 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 72.525 60.283 65.063 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 71.244 10.718 -7.076 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 70.616 10.999 -6.410 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 71.850 10.145 -6.608 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 86.545 65.829 20.553 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 85.856 65.615 21.183 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 87.164 65.102 20.618 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 34.162 23.471 6.174 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 33.905 23.664 7.076 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 35.069 23.774 6.114 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 89.920 26.535 39.239 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 90.055 26.523 38.291 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 90.742 26.207 39.603 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 32.390 21.162 36.099 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 32.121 22.069 35.953 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 32.280 21.028 37.041 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 56.631 19.351 5.948 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 56.280 18.470 5.817 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 57.566 19.266 5.760 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 37.558 61.187 64.323 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 37.859 60.975 65.207 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 38.318 61.021 63.765 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 33.472 68.750 23.259 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 34.187 68.114 23.250 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 32.757 68.300 23.709 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 48.887 14.472 52.870 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 48.891 13.869 52.127 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 49.669 14.240 53.371 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 57.740 20.046 -13.839 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 57.979 20.889 -14.222 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 58.479 19.820 -13.274 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 84.263 24.028 1.051 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 84.048 24.867 1.459 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 84.772 24.263 0.275 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 65.336 11.638 -14.160 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 65.754 11.122 -13.470 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 65.998 11.698 -14.849 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 75.274 22.631 47.118 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 75.296 22.602 46.161 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 74.429 23.029 47.327 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 59.389 81.952 -8.284 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 59.973 81.938 -7.526 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 58.514 82.053 -7.912 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 42.420 50.495 16.525 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 42.605 51.407 16.304 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 42.242 50.507 17.465 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 64.996 6.113 56.232 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 65.606 6.850 56.215 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 65.506 5.387 56.590 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 39.365 24.647 43.119 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 40.090 24.243 42.641 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 38.707 23.956 43.186 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 23.417 63.595 13.051 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 23.164 64.373 13.548 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 23.716 63.936 12.208 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 73.512 86.715 35.546 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 73.346 86.169 36.314 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 72.727 86.614 35.007 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 25.222 95.259 -18.651 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 24.535 94.828 -19.159 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 25.021 95.040 -17.741 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 81.534 83.786 -5.013 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 82.183 83.550 -4.350 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 81.307 82.956 -5.433 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 89.779 45.667 43.164 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 89.315 46.343 42.670 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 89.303 45.604 43.991 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 21.652 74.632 -4.117 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 20.750 74.315 -4.073 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 22.170 73.854 -4.325 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 65.380 21.627 8.642 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 65.600 21.151 9.442 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 64.450 21.447 8.503 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 83.233 58.805 -10.556 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 82.462 59.297 -10.838 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 82.879 58.055 -10.080 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 44.315 43.870 14.234 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 44.565 44.765 14.465 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 43.403 43.941 13.954 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 41.074 72.267 11.887 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 41.866 72.661 11.523 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 41.323 71.363 12.081 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 20.314 5.339 49.118 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 20.179 4.416 49.332 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 21.237 5.498 49.315 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 62.452 13.995 60.375 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 63.108 13.299 60.332 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 61.648 13.551 60.647 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 79.295 64.345 32.076 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 79.141 64.523 31.148 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 78.563 63.787 32.338 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 30.101 56.129 16.196 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 30.983 56.485 16.092 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 30.144 55.261 15.795 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 20.418 66.073 39.217 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 21.313 65.835 39.457 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 20.253 65.597 38.403 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 40.816 15.804 12.640 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 41.685 15.746 13.036 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 40.964 15.634 11.710 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 61.666 41.151 41.978 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 62.621 41.211 41.987 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 61.462 40.483 42.633 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 38.716 8.536 42.471 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 38.128 9.144 42.022 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 38.413 7.668 42.206 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 29.648 68.846 45.075 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 29.282 69.154 44.246 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 30.481 69.310 45.156 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 22.897 96.741 31.201 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 22.946 95.892 30.760 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 21.970 96.846 31.416 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 78.678 46.131 46.278 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 79.149 46.290 47.096 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 77.897 46.681 46.339 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 23.522 66.212 44.819 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 23.921 66.858 44.237 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 24.007 66.296 45.640 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 65.902 0.765 11.669 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 66.377 0.211 12.289 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 66.468 0.802 10.898 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 44.546 76.701 -10.833 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 44.658 76.228 -11.658 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 44.220 76.042 -10.221 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 84.982 21.667 40.021 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 85.416 21.550 39.176 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 84.797 22.605 40.068 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 46.892 42.691 4.395 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 47.739 42.306 4.617 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 46.355 42.556 5.175 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 65.630 21.071 -8.763 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 65.064 21.782 -8.461 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 65.942 20.655 -7.959 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 65.772 11.874 44.004 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 65.227 11.144 44.299 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 65.417 12.106 43.146 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 82.962 18.641 49.319 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 82.551 19.046 48.555 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 83.504 17.940 48.957 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 24.123 66.189 -13.376 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 23.921 66.441 -14.277 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 24.446 65.290 -13.445 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 69.685 38.915 51.988 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 69.059 38.746 52.692 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 69.355 38.407 51.247 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 44.223 80.876 -8.443 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 44.166 80.860 -7.488 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 44.006 79.984 -8.713 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 58.537 25.281 21.238 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 58.517 26.003 21.867 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 57.666 24.889 21.295 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 61.599 90.757 28.338 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 60.689 90.526 28.148 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 61.788 91.489 27.751 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 21.155 70.315 9.084 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 21.704 71.062 8.846 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 20.782 70.019 8.253 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 45.866 13.859 20.786 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 46.375 13.794 21.594 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 45.939 14.779 20.530 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 45.528 49.971 61.705 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 46.165 50.566 62.100 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 45.400 49.286 62.362 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 63.317 8.005 -6.146 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 64.169 8.321 -5.845 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 62.955 8.734 -6.650 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 64.818 33.261 25.543 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 65.122 34.084 25.161 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 65.053 32.594 24.898 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 67.075 36.365 28.300 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 66.688 36.840 29.035 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 66.618 36.701 27.529 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 33.590 61.739 -1.755 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 33.525 62.617 -1.381 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 33.067 61.190 -1.170 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 59.876 36.287 24.695 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 60.359 35.487 24.486 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 58.998 36.136 24.344 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 80.561 65.797 15.002 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 80.845 65.208 14.304 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 79.830 65.341 15.419 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 49.170 15.637 31.360 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 49.144 14.811 31.844 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 49.833 15.497 30.684 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 51.795 32.954 -15.166 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 50.894 33.012 -14.848 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 52.322 33.336 -14.465 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 38.306 43.014 39.622 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 37.640 43.616 39.289 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 37.820 42.401 40.173 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 79.174 27.391 11.498 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 79.067 28.338 11.413 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 78.875 27.194 12.386 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 51.818 30.343 6.547 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 51.316 30.417 7.359 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 52.682 30.692 6.766 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 86.119 31.998 19.874 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 85.616 32.147 20.674 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 86.696 31.264 20.086 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 88.764 33.449 32.118 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 88.693 33.373 31.167 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 87.973 33.919 32.381 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 78.993 65.697 -14.971 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 79.473 65.448 -14.181 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 79.661 66.058 -15.553 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 60.484 58.787 55.352 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 60.817 57.971 54.978 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 60.995 59.474 54.923 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 70.886 10.973 60.498 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 70.754 11.764 61.021 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 70.181 10.385 60.770 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 26.641 94.979 57.922 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 26.317 95.782 57.515 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 26.863 95.236 58.817 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 23.913 91.212 15.906 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 23.802 90.405 16.409 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 24.828 91.456 16.044 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 72.556 88.858 -6.880 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 71.653 89.109 -7.073 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 73.071 89.253 -7.582 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 53.237 49.087 57.924 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 52.727 49.485 57.219 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 53.941 49.713 58.095 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 26.983 29.435 30.759 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 26.876 29.785 31.643 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 27.915 29.543 30.569 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 31.604 82.503 56.850 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 30.752 82.935 56.911 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 32.232 83.168 57.133 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 85.792 92.717 -8.804 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 84.936 92.748 -8.376 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 86.330 92.179 -8.223 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 28.436 87.733 9.050 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 28.167 88.065 9.907 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 29.100 87.072 9.246 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 83.762 68.163 4.653 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 83.665 68.388 3.728 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 83.750 67.206 4.669 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 40.980 59.283 -9.422 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 41.676 59.757 -8.966 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 40.617 58.694 -8.760 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 51.749 42.827 44.498 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 52.152 42.412 43.735 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 51.014 42.255 44.721 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 36.297 46.395 60.794 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 35.380 46.158 60.657 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 36.294 46.910 61.601 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 35.873 36.880 7.433 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 35.933 36.250 8.151 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 36.462 37.590 7.687 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 82.245 6.801 62.128 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 81.293 6.732 62.055 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 82.443 6.474 63.005 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 26.199 33.428 36.412 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 26.828 33.433 35.691 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 25.751 34.271 36.345 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 42.832 96.735 43.120 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 42.343 96.779 42.299 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 43.501 96.068 42.966 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 63.992 22.365 49.474 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 64.877 22.560 49.165 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 63.453 23.072 49.120 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 59.134 30.962 61.279 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 58.801 30.499 62.047 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 58.654 31.790 61.270 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 32.483 15.733 31.133 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 32.605 15.371 30.256 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 33.369 15.808 31.488 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 21.141 48.653 51.422 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 21.957 49.041 51.738 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 21.323 48.419 50.511 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 56.395 34.341 -8.897 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 55.814 35.031 -8.576 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 56.910 34.763 -9.585 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 41.310 24.279 60.015 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 41.485 23.420 60.400 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 42.098 24.481 59.511 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 28.199 42.947 51.879 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 27.858 42.423 51.155 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 28.266 42.333 52.610 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 60.570 89.219 6.486 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 60.834 88.327 6.259 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 59.613 89.204 6.444 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 68.170 92.123 37.004 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 67.225 92.186 37.144 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 68.293 92.368 36.087 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 65.493 46.953 2.237 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 64.610 46.698 1.970 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 65.495 46.850 3.189 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 49.928 1.274 58.979 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 50.000 2.228 58.952 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 50.774 0.960 58.661 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 39.113 82.488 -0.169 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 39.875 82.950 -0.519 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 38.496 82.454 -0.900 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 44.580 27.697 -1.211 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 43.692 27.418 -1.436 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 44.582 27.742 -0.255 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 30.299 92.381 41.051 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 31.191 92.039 41.106 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 30.058 92.571 41.957 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 72.243 68.448 -14.229 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 71.528 68.071 -13.716 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 72.601 69.138 -13.671 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 29.029 74.294 0.234 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 29.414 74.095 1.088 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 29.678 73.987 -0.399 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 34.208 23.884 34.730 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 33.355 24.268 34.934 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 34.815 24.318 35.330 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 70.492 34.833 53.160 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 70.932 34.998 52.326 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 70.733 35.578 53.711 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 80.272 10.641 -2.924 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 80.363 11.172 -3.716 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 79.351 10.730 -2.680 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 51.766 0.936 27.229 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 51.045 1.488 27.531 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 52.397 0.950 27.949 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 83.616 69.096 59.257 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 83.978 69.967 59.418 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 84.276 68.658 58.719 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 39.078 41.099 15.110 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 39.310 40.170 15.093 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 39.775 41.511 15.621 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 55.910 23.991 23.878 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 55.942 24.793 23.356 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 55.015 23.960 24.216 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 67.160 70.750 -13.548 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 68.041 70.543 -13.858 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 66.581 70.448 -14.248 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 83.014 87.365 15.457 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 82.503 86.703 14.993 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 83.502 86.873 16.117 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 58.605 21.014 -2.831 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 57.701 21.127 -3.124 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 58.699 20.070 -2.701 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 67.273 13.811 -6.156 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 68.078 14.287 -6.357 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 66.606 14.222 -6.706 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 65.379 39.908 56.980 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 64.680 40.482 56.667 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 65.000 39.457 57.734 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 59.192 46.349 -13.541 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 59.720 45.650 -13.156 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 58.459 46.457 -12.935 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 64.686 91.611 39.990 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 65.236 91.885 39.256 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 65.141 90.856 40.362 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 69.206 49.941 -18.913 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 69.679 50.189 -18.118 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 69.084 50.764 -19.386 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 46.154 35.551 44.210 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 46.885 36.126 44.438 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 46.125 35.568 43.254 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 51.456 8.993 9.163 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 50.877 9.427 9.789 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 51.055 8.135 9.021 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 35.383 35.190 -2.825 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 35.881 35.994 -2.975 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 35.430 34.720 -3.658 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 61.010 68.439 -5.855 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 61.296 69.109 -5.234 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 61.420 67.632 -5.543 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 79.403 32.994 25.028 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 80.123 33.557 25.313 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 78.696 33.600 24.808 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 31.675 72.659 57.313 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 31.642 73.087 56.458 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 32.583 72.759 57.598 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 58.672 50.037 46.592 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 58.104 49.278 46.459 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 58.865 50.031 47.529 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 71.324 16.875 52.689 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 71.403 17.820 52.558 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 72.067 16.647 53.247 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 60.337 61.674 -3.912 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 59.399 61.600 -4.091 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 60.415 62.451 -3.359 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 29.338 63.515 4.627 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 29.501 63.478 5.570 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 30.122 63.134 4.233 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 41.813 1.686 55.316 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 42.209 0.817 55.386 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 42.375 2.250 55.846 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 88.653 90.837 6.824 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 88.055 90.172 6.481 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 89.460 90.360 7.013 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 23.027 16.361 0.949 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 22.490 17.044 0.547 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 23.408 16.778 1.721 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 63.853 26.182 35.851 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 64.475 25.489 36.072 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 64.235 26.613 35.086 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 73.134 0.604 40.686 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 72.413 1.213 40.840 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 72.719 -0.167 40.299 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 73.507 69.553 -8.393 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 72.827 68.890 -8.510 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 74.084 69.189 -7.722 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 72.944 62.303 15.590 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 72.982 61.346 15.603 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 72.021 62.509 15.739 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 68.722 77.283 15.559 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 69.626 76.977 15.625 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 68.278 76.612 15.041 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 71.572 82.907 65.167 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 70.644 82.843 64.940 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 71.650 83.746 65.621 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 69.543 77.114 22.850 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 68.838 76.753 22.313 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 70.077 76.355 23.088 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 68.184 83.085 11.587 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 67.256 82.991 11.805 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 68.188 83.388 10.679 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 44.709 35.957 10.130 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 44.436 35.680 11.005 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 45.299 36.695 10.285 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 29.947 28.243 2.720 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 30.005 27.625 1.991 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 29.010 28.414 2.816 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 75.004 31.949 57.092 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 75.894 32.078 57.423 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 74.793 31.044 57.321 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 80.119 24.782 33.392 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 79.960 25.685 33.667 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 80.873 24.839 32.805 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 40.396 27.302 -10.127 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 41.137 27.619 -9.612 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 40.794 26.894 -10.896 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 60.928 57.204 0.446 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 61.406 58.018 0.289 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 60.049 57.486 0.698 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 55.711 16.702 34.025 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 56.085 16.131 33.354 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 55.153 17.310 33.540 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 75.606 45.168 -0.031 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 75.384 45.569 0.809 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 74.913 45.455 -0.625 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 79.635 22.187 -4.844 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 79.296 21.654 -4.125 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 78.900 22.747 -5.094 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 38.848 24.181 4.389 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 39.427 24.839 4.002 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 39.434 23.605 4.880 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 63.660 27.290 -11.935 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 64.451 26.947 -11.519 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 63.984 27.881 -12.615 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 82.081 78.501 24.731 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 81.947 77.846 25.416 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 81.550 78.194 23.997 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 37.626 80.471 60.304 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 38.045 79.739 59.852 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 36.816 80.622 59.817 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 36.105 78.438 29.442 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 36.724 77.807 29.809 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 36.621 79.235 29.317 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 24.193 15.849 51.867 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 23.661 15.060 51.965 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 24.520 15.808 50.968 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 49.002 1.537 63.921 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 49.316 2.167 64.570 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 48.506 0.896 64.430 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 59.890 20.534 -11.676 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 60.506 21.039 -12.206 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 59.824 21.021 -10.855 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 69.770 62.981 26.055 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 69.908 63.318 25.169 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 68.918 62.547 26.016 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 82.833 51.055 29.563 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 82.512 50.837 28.688 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 82.664 51.993 29.653 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 62.137 42.089 48.155 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 62.141 42.889 47.630 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 63.036 41.765 48.107 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 20.291 6.863 34.220 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 20.773 7.583 33.814 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 20.760 6.075 33.946 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 76.707 11.465 66.725 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 76.004 10.815 66.758 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 76.756 11.809 67.617 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 30.696 63.767 47.446 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 31.283 63.057 47.704 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 31.278 64.504 47.261 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 30.711 0.826 65.694 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 31.285 1.539 65.416 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 31.139 0.033 65.370 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 42.149 17.372 21.599 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 42.221 17.801 20.746 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 42.676 17.915 22.185 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 35.080 94.619 53.808 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 34.720 94.888 54.653 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 35.580 95.378 53.507 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 49.104 29.271 47.250 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 49.288 29.943 46.593 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 49.945 29.124 47.684 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 81.689 11.868 66.489 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 81.052 11.280 66.895 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 81.755 11.561 65.585 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 28.378 25.916 48.888 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 27.503 25.730 48.546 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 28.226 26.213 49.785 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 84.138 3.816 62.884 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 83.921 4.132 63.761 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 85.003 4.184 62.703 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 60.434 52.350 -3.945 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 60.074 52.619 -4.791 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 59.686 52.371 -3.349 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 42.525 64.091 -11.901 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 43.192 63.894 -12.559 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 43.023 64.334 -11.121 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 71.315 20.551 -2.055 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 71.849 20.331 -2.818 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 71.407 19.797 -1.472 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 50.584 12.413 -1.120 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 50.099 13.101 -0.667 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 50.893 11.836 -0.421 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 50.096 52.058 42.569 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 50.793 51.884 43.201 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 49.924 52.996 42.654 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 85.238 4.101 -1.189 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 85.048 4.727 -1.888 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 86.194 4.066 -1.151 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 65.411 93.516 -8.727 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 65.549 92.580 -8.582 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 66.092 93.942 -8.206 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 70.405 56.904 -7.009 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 70.897 56.608 -7.775 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 70.879 56.537 -6.263 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 89.237 57.954 -4.590 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 89.179 57.290 -3.904 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 90.131 58.290 -4.525 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 50.178 44.952 -3.618 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 49.874 45.826 -3.375 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 51.051 44.885 -3.230 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 54.461 46.975 1.853 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 54.774 47.640 2.466 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 54.502 46.155 2.346 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 40.255 40.045 66.216 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 39.907 40.897 66.480 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 39.704 39.778 65.480 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 42.755 38.231 39.599 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 43.211 39.060 39.744 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 43.378 37.698 39.105 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 35.006 79.890 38.991 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 35.445 80.699 38.730 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 34.083 80.132 39.067 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 52.649 12.516 -10.108 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 52.181 12.955 -9.398 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 52.027 12.506 -10.836 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 52.296 0.881 40.986 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 52.728 1.286 40.234 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 52.112 -0.015 40.702 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 53.856 8.148 -13.734 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 54.725 8.314 -13.369 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 53.783 8.756 -14.470 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 76.751 39.156 22.630 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 76.870 40.083 22.837 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 76.429 39.151 21.728 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 77.926 39.219 56.755 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 76.972 39.297 56.789 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 78.195 39.851 56.089 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 80.634 71.469 -1.252 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 80.176 70.747 -1.682 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 79.969 72.149 -1.152 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 34.965 56.529 -10.492 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 35.150 55.733 -9.994 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 35.435 56.409 -11.318 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 76.357 46.513 -15.432 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 76.595 46.166 -14.572 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 77.182 46.831 -15.799 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 58.271 23.295 25.101 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 57.384 23.287 24.742 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 58.535 24.214 25.069 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 22.862 89.994 55.321 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 22.971 89.199 54.799 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 21.938 89.994 55.570 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 74.887 56.189 63.094 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 75.490 55.510 62.792 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 74.836 56.807 62.365 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 71.237 83.536 8.643 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 70.432 84.052 8.672 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 71.939 84.182 8.725 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 67.992 56.138 -15.462 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 68.142 56.906 -16.014 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 68.215 56.431 -14.579 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 59.984 42.396 55.711 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 60.015 43.289 56.055 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 59.050 42.200 55.638 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 20.413 12.025 40.397 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 19.846 11.385 40.827 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 21.019 11.498 39.876 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 49.778 14.198 42.206 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 49.581 15.035 42.626 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 49.801 13.568 42.926 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 43.410 80.068 25.892 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 43.078 80.300 26.759 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 44.347 79.924 26.025 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 33.086 -0.130 39.808 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 32.609 0.578 39.376 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 33.648 -0.493 39.124 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 33.228 4.710 56.443 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 33.405 4.999 55.548 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 34.072 4.779 56.889 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 67.094 34.862 60.584 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 67.275 34.156 59.963 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 67.037 35.649 60.042 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 35.999 25.052 36.824 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 35.809 24.781 37.722 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 36.832 25.520 36.886 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 72.579 50.744 66.533 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 72.101 51.525 66.811 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 72.949 50.978 65.682 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 88.780 66.253 -11.484 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 89.662 65.883 -11.513 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 88.802 66.976 -12.111 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 81.181 25.245 13.946 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 80.478 25.859 14.160 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 81.788 25.309 14.683 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 47.534 25.539 31.424 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 48.474 25.707 31.354 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 47.433 24.628 31.146 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 51.364 25.137 37.146 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 50.984 25.450 37.966 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 51.225 25.855 36.528 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 25.827 60.587 25.909 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 26.264 60.325 26.719 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 26.359 61.308 25.572 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 53.927 51.377 -18.799 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 54.173 50.627 -18.257 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 53.112 51.108 -19.224 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 76.824 87.993 33.858 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 76.825 88.890 33.522 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 76.042 87.945 34.409 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 72.537 70.669 45.190 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 72.830 69.766 45.068 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 73.240 71.084 45.690 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 87.314 35.323 38.559 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 87.987 34.642 38.543 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 87.798 36.134 38.716 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 67.102 6.445 18.491 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 66.682 7.035 19.117 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 66.411 6.225 17.867 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 30.935 12.405 24.912 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 30.687 13.328 24.957 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 30.308 12.018 24.301 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 77.423 86.881 4.107 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 77.947 87.576 3.711 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 76.520 87.195 4.045 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 71.182 64.078 0.114 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 70.925 64.897 0.538 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 70.990 63.401 0.762 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 71.598 43.092 58.211 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 71.519 43.294 57.279 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 71.902 43.907 58.609 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 81.892 17.892 59.251 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 82.789 17.694 59.522 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 81.537 18.422 59.965 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 89.337 30.288 44.059 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 89.024 29.714 44.759 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 89.084 29.842 43.251 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 82.266 43.257 52.375 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 82.169 43.772 51.574 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 81.449 43.401 52.853 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 68.039 42.692 46.355 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 68.602 43.427 46.115 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 67.608 42.442 45.537 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 50.962 17.538 59.103 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 51.207 18.463 59.135 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 50.372 17.421 59.847 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 80.356 20.604 42.407 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 80.590 21.277 43.046 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 80.162 19.829 42.935 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 60.946 49.461 56.022 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 60.534 48.795 55.471 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 60.374 50.225 55.943 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 29.654 31.396 54.163 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 29.161 32.176 53.908 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 30.369 31.730 54.704 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 65.972 22.331 40.096 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 65.144 21.851 40.083 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 66.070 22.617 41.004 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 26.107 37.169 19.387 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 25.754 36.827 18.566 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 26.253 38.100 19.215 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 72.011 55.773 -8.839 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 71.784 55.266 -9.618 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 72.565 55.187 -8.323 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 87.858 70.415 33.568 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 88.500 70.051 32.959 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 87.649 71.278 33.209 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 87.267 11.851 -14.596 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 86.432 12.281 -14.780 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 87.658 12.376 -13.897 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 30.758 39.088 39.389 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 30.031 39.707 39.329 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 30.562 38.561 40.164 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 34.931 43.898 -19.273 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 35.071 43.461 -20.113 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 35.625 44.557 -19.227 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 59.337 60.780 47.938 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 59.113 61.116 47.070 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 59.244 59.830 47.859 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 89.632 50.396 -2.512 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 89.045 50.839 -3.124 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 89.389 49.472 -2.573 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 64.222 58.411 50.891 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 65.164 58.520 50.759 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 64.033 57.535 50.555 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 69.995 87.742 -12.854 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 70.206 87.078 -13.511 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 69.095 88.000 -13.054 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 33.628 59.551 -18.128 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 34.455 59.888 -18.473 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 33.848 58.686 -17.780 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 49.244 35.626 -16.573 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 49.461 35.382 -15.673 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 49.402 34.831 -17.082 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 21.096 47.165 42.026 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 20.358 46.665 42.376 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 21.519 46.567 41.409 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 37.924 96.146 -5.717 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 38.431 96.955 -5.644 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 37.585 96.156 -6.612 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 42.623 32.377 -2.508 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 43.110 31.556 -2.440 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 42.752 32.803 -1.661 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 25.893 9.691 42.314 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 26.801 9.602 42.024 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 25.433 10.051 41.555 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 81.226 28.792 57.829 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 82.134 28.958 57.579 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 80.817 28.447 57.035 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 66.503 1.934 -3.891 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 66.372 2.398 -4.718 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 67.046 1.180 -4.121 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 25.910 78.938 3.098 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 26.215 79.500 2.386 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 26.609 78.294 3.211 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 70.383 36.978 21.317 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 70.858 36.248 20.919 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 70.414 37.672 20.658 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 27.949 50.233 43.413 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 28.522 50.915 43.064 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 28.361 49.412 43.143 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 69.222 0.498 53.314 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 68.370 0.527 52.879 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 69.091 0.981 54.130 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 38.024 67.141 5.966 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 38.072 66.298 6.418 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 37.269 67.057 5.383 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 48.439 6.782 44.043 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 48.878 6.047 43.615 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 48.199 7.369 43.326 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 75.261 41.861 66.113 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 75.645 42.662 66.471 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 74.341 41.899 66.374 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 54.860 93.207 57.027 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 54.843 92.337 57.426 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 53.941 93.406 56.849 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 37.518 27.223 23.024 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 36.976 27.998 22.877 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 37.018 26.504 22.639 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 64.241 46.629 -6.446 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 64.909 46.496 -5.774 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 64.727 46.636 -7.271 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 57.593 79.114 41.155 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 57.883 79.280 40.258 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 58.385 78.838 41.616 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 68.571 51.502 30.295 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 68.663 51.059 29.452 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 67.625 51.546 30.441 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 67.778 57.271 21.046 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 67.289 56.449 21.084 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 67.612 57.609 20.167 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 69.659 4.787 47.804 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 69.084 4.033 47.677 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 69.469 5.361 47.061 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 24.128 36.649 21.202 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 24.925 36.748 20.682 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 23.525 37.301 20.845 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 63.130 88.222 52.018 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 63.057 88.707 51.196 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 63.395 87.341 51.753 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 49.149 32.300 -13.146 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 48.710 32.307 -12.295 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 49.189 33.222 -13.402 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 85.035 66.393 66.199 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 84.788 65.828 66.931 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 84.873 67.281 66.515 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 78.176 55.903 24.893 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 77.289 55.956 25.249 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 78.619 55.261 25.448 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 71.120 20.960 40.136 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 70.976 20.985 39.190 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 72.036 21.218 40.246 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 22.991 2.163 33.005 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 23.105 1.249 32.747 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 23.793 2.379 33.482 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 50.284 35.431 57.029 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 50.385 34.911 56.232 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 49.986 36.287 56.721 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 45.869 35.933 19.914 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 46.714 35.539 19.698 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 46.088 36.680 20.472 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 40.330 62.205 46.826 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 41.119 62.517 46.383 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 39.632 62.315 46.180 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 63.989 46.942 33.774 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 63.683 47.814 34.022 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 64.280 47.038 32.867 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 26.613 46.895 -17.306 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 27.102 46.220 -16.836 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 26.581 47.634 -16.699 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 83.769 8.929 1.988 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 84.439 9.230 1.374 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 83.046 8.639 1.432 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 37.734 50.806 -16.644 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 38.393 51.477 -16.467 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 37.379 51.038 -17.502 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 74.938 52.703 -19.399 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 74.216 52.078 -19.473 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 74.532 53.499 -19.058 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 52.402 63.902 -13.697 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 52.127 63.853 -12.781 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 51.610 64.151 -14.173 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 25.894 93.012 27.671 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 25.601 92.407 26.990 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 25.228 92.943 28.355 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 69.645 69.608 59.210 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 68.933 69.573 58.572 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 70.424 69.810 58.691 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 50.669 89.908 24.042 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 51.034 89.469 24.811 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 50.782 90.841 24.222 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 80.911 94.308 61.380 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 80.348 93.571 61.617 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 80.458 94.730 60.650 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 33.758 31.937 -14.043 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 33.550 32.862 -13.914 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 34.189 31.672 -13.231 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 83.207 25.206 44.981 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 83.202 25.570 44.095 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 83.801 25.775 45.471 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 82.796 75.328 55.800 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 82.505 75.000 54.949 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 83.730 75.501 55.684 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 51.944 5.627 4.453 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 51.876 4.701 4.686 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 51.432 5.710 3.649 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 49.875 35.654 -0.768 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 49.837 36.429 -0.207 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 50.442 35.044 -0.296 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 25.475 54.637 -7.974 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 25.308 55.170 -8.751 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 24.813 54.919 -7.343 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 39.914 81.859 -16.220 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 40.137 82.670 -15.763 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 40.142 81.165 -15.601 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 33.405 18.497 51.497 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 33.892 17.921 50.907 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 32.711 17.943 51.855 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 87.395 59.135 64.028 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 88.006 58.817 64.692 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 87.069 58.343 63.602 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 71.933 3.647 32.359 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 71.239 4.300 32.266 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 71.483 2.806 32.288 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 61.761 75.174 64.421 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 61.810 74.323 63.986 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 61.576 74.965 65.337 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 28.238 29.305 46.874 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 28.370 29.936 46.167 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 27.704 28.614 46.482 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 42.059 72.347 -11.469 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 42.944 72.285 -11.111 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 41.734 71.447 -11.464 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 55.249 61.967 57.398 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 54.574 61.888 56.724 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 55.923 62.518 56.999 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 71.104 57.447 33.737 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 71.116 57.490 32.781 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 71.268 58.347 34.020 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 30.360 36.028 -16.021 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 29.845 36.722 -16.434 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 30.790 36.457 -15.282 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 47.567 15.805 22.920 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 47.734 16.561 22.356 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 46.797 16.054 23.432 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 25.652 4.721 39.522 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 25.463 4.477 38.616 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 26.608 4.720 39.576 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 70.523 85.214 50.569 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 70.893 84.612 49.923 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 69.654 84.860 50.756 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 85.778 79.203 -13.492 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 86.181 78.477 -13.015 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 85.893 79.961 -12.918 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 21.586 81.803 17.184 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 21.087 82.533 17.551 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 21.922 82.136 16.352 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 20.853 16.157 -12.655 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 20.361 16.768 -13.205 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 20.387 16.158 -11.819 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 44.552 8.770 34.268 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 44.120 9.195 33.527 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 45.288 8.297 33.879 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 78.652 85.343 -16.560 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 79.068 84.915 -17.308 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 79.163 85.054 -15.804 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 45.566 82.375 40.409 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 46.376 81.866 40.406 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 45.709 83.057 39.752 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 71.419 32.527 49.641 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 72.206 32.790 50.119 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 70.699 32.933 50.122 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 26.342 21.141 -16.192 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 26.212 21.808 -15.519 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 25.489 21.059 -16.619 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 24.182 95.181 -10.422 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 24.799 95.505 -9.766 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 23.517 94.714 -9.917 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 57.800 75.730 40.973 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 57.647 75.350 40.108 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 56.987 76.191 41.180 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 67.318 81.035 61.791 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 67.290 81.768 61.176 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 67.864 81.347 62.512 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 31.057 45.935 48.951 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 31.159 46.693 48.376 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 31.611 45.260 48.559 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 88.855 18.539 -3.608 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 89.731 18.921 -3.657 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 88.262 19.281 -3.727 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 57.777 79.843 -3.495 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 57.829 80.630 -2.953 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 57.878 79.119 -2.876 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 90.198 58.258 41.980 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 89.251 58.143 41.911 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 90.545 57.367 42.041 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 78.114 63.839 23.346 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 77.749 63.878 24.230 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 77.694 64.563 22.880 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 74.455 50.174 59.096 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 74.315 49.897 58.190 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 75.403 50.124 59.218 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 34.387 40.222 -17.949 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 35.128 40.777 -18.192 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 34.594 39.920 -17.064 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 23.833 44.268 50.588 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 24.653 44.757 50.515 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 24.056 43.505 51.120 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 80.360 0.824 8.454 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 80.314 0.646 9.394 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 80.760 1.691 8.394 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 26.383 43.727 59.219 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 25.991 43.037 58.683 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 26.160 43.487 60.118 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 68.787 65.846 -4.091 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 69.590 66.317 -3.870 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 68.748 65.129 -3.458 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 75.003 17.601 -6.310 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 74.681 17.877 -5.451 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 75.737 18.188 -6.490 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 88.925 80.534 8.274 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 88.754 79.830 8.900 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 89.711 80.966 8.607 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 32.000 93.240 -2.929 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 32.329 92.422 -2.556 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 32.269 93.209 -3.847 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 55.878 52.615 52.631 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 55.233 53.083 52.100 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 56.722 52.967 52.350 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 70.849 5.717 11.668 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 71.613 5.635 12.239 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 71.201 6.046 10.841 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 83.383 52.733 63.150 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 84.282 52.683 62.825 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 83.097 53.619 62.929 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 64.488 10.283 55.162 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 64.520 11.081 55.689 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 64.074 9.635 55.732 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 72.279 6.552 44.618 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 73.199 6.815 44.639 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 72.115 6.179 45.484 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 84.248 95.643 40.346 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 84.512 95.718 39.428 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 84.860 95.008 40.720 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 52.450 28.292 46.926 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 52.175 28.171 46.017 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 51.893 27.696 47.426 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 37.791 88.253 32.367 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 37.846 88.321 31.413 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 36.858 88.135 32.545 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 47.962 87.733 12.394 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 48.242 86.968 12.898 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 47.052 87.872 12.656 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 63.649 93.164 32.385 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 62.729 92.980 32.192 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 64.067 92.304 32.406 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 24.363 12.959 -15.168 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 23.815 13.124 -15.935 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 24.885 13.755 -15.070 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 23.614 45.233 63.337 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 23.893 45.377 64.242 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 24.279 45.673 62.808 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 59.978 19.996 62.741 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 59.790 19.215 63.262 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 59.213 20.094 62.173 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 32.160 88.042 13.501 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 32.513 88.841 13.892 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 32.898 87.659 13.028 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 82.152 -0.319 49.993 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 81.265 -0.157 49.671 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 82.612 0.509 49.854 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 71.818 88.721 -2.287 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 70.942 89.034 -2.514 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 71.814 87.796 -2.531 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 70.447 5.031 -8.854 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 70.739 4.221 -9.272 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 69.910 5.463 -9.518 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 68.403 27.028 7.131 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 68.234 27.951 6.940 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 68.358 26.968 8.085 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 74.993 31.239 18.393 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 75.793 31.629 18.040 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 74.331 31.399 17.721 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 32.206 61.540 -10.467 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 32.130 62.418 -10.091 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 31.382 61.409 -10.936 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 39.261 28.787 18.286 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 38.799 28.115 18.787 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 40.024 29.004 18.822 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 38.664 94.980 17.489 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 38.792 94.500 18.307 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 39.550 95.188 17.192 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 56.420 0.714 -16.918 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 55.484 0.704 -17.118 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 56.806 0.098 -17.541 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 78.162 95.018 9.331 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 78.770 95.576 8.844 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 77.737 95.611 9.951 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 81.509 9.482 64.964 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 82.153 9.293 64.283 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 80.928 8.721 64.964 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 42.820 83.584 67.613 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 41.979 84.039 67.574 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 42.977 83.293 66.714 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 53.872 32.531 63.963 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 53.691 31.592 64.012 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 54.817 32.600 64.098 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 41.172 43.545 48.302 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 40.959 42.997 47.546 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 41.794 44.189 47.964 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 89.771 52.894 61.770 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 89.915 52.010 62.107 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 89.806 52.798 60.819 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 67.993 72.530 -4.764 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 67.154 72.149 -5.023 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 67.887 72.736 -3.835 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 47.805 43.194 -19.749 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 46.957 42.871 -19.444 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 48.374 43.133 -18.982 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 71.067 33.643 66.979 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 71.140 32.956 66.315 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 70.144 33.898 66.959 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 75.171 49.464 12.541 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 74.875 49.530 13.448 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 76.122 49.374 12.605 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 24.289 21.703 43.701 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 24.812 22.496 43.588 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 24.266 21.305 42.831 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 31.302 54.827 7.064 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 31.249 54.578 7.986 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 32.038 55.437 7.022 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 89.088 27.573 57.230 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 89.741 27.908 56.616 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 89.587 27.357 58.018 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 64.628 76.168 1.394 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 64.023 75.436 1.516 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 65.359 75.976 1.982 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 38.860 44.605 49.721 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 39.219 45.414 49.354 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 39.510 43.936 49.507 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 82.848 65.135 17.746 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 82.000 65.531 17.944 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 83.247 65.727 17.108 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 81.115 79.196 18.931 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 80.456 78.804 19.504 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 80.848 78.940 18.048 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 79.748 40.059 -18.363 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 79.434 40.668 -17.695 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 79.098 40.113 -19.062 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 23.897 9.423 8.676 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 22.952 9.478 8.821 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 24.284 9.806 9.463 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 27.718 65.535 -13.163 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 27.523 66.470 -13.111 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 27.752 65.349 -14.101 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 30.087 11.381 -18.169 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 29.513 11.690 -17.468 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 30.779 12.040 -18.220 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 58.651 62.819 62.877 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 59.540 62.841 63.231 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 58.129 63.312 63.509 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 40.094 4.762 34.468 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 39.666 3.921 34.307 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 40.982 4.648 34.128 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 41.499 17.913 -3.549 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 42.159 18.507 -3.905 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 41.817 17.700 -2.671 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 62.633 92.629 43.191 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 62.329 93.428 43.621 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 63.474 92.438 43.606 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 48.371 8.911 66.273 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 49.168 8.768 66.785 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 47.953 9.667 66.685 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 65.421 51.828 19.623 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 64.962 51.309 18.963 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 64.981 52.678 19.609 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 64.501 12.052 60.431 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 64.962 12.841 60.717 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 64.730 11.391 61.084 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 30.452 53.895 -16.410 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 30.018 53.318 -15.782 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 30.920 54.530 -15.868 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 73.290 70.440 66.776 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 73.497 69.525 66.966 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 72.860 70.417 65.921 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 69.984 82.261 -17.399 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 69.635 82.951 -17.964 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 70.866 82.101 -17.734 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 20.081 52.373 -17.088 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 20.878 51.843 -17.116 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 19.681 52.250 -17.949 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 86.176 21.937 37.544 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 86.934 22.427 37.863 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 86.201 22.050 36.593 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 65.143 62.796 28.067 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 64.591 62.388 28.733 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 64.527 63.231 27.477 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 66.339 62.152 53.057 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 66.164 62.996 52.641 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 66.001 62.247 53.947 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 77.432 17.212 56.331 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 76.906 17.339 55.541 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 78.256 17.662 56.145 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 33.890 53.479 47.669 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 34.064 53.486 48.610 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 34.683 53.843 47.275 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 52.939 61.518 -9.043 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 52.684 62.167 -8.387 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 53.017 60.699 -8.553 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 20.776 18.509 62.997 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 20.054 18.847 63.527 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 20.871 19.145 62.288 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 87.456 50.617 35.191 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 87.417 49.964 35.889 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 86.897 51.331 35.498 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 43.316 77.151 59.903 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 44.210 77.318 60.201 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 43.123 76.264 60.206 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 87.430 1.166 63.070 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 86.850 1.571 62.425 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 87.397 1.753 63.825 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 71.090 13.077 -19.678 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 71.639 12.926 -20.447 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 70.740 12.214 -19.458 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 30.529 91.929 -8.875 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 31.439 92.223 -8.917 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 30.099 92.560 -8.298 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 61.934 11.935 -5.296 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 61.718 11.206 -5.877 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 62.593 12.437 -5.777 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 59.128 47.721 36.796 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 58.304 47.872 36.332 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 59.437 48.597 37.027 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 23.032 51.441 41.254 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 23.952 51.262 41.450 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 22.930 52.378 41.423 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 73.995 46.646 55.391 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 74.429 46.330 54.598 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 73.075 46.737 55.140 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 80.621 21.988 55.840 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 80.378 21.494 56.623 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 81.329 21.479 55.446 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 27.755 48.073 -12.124 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 26.829 48.297 -12.028 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 27.752 47.166 -12.431 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 63.926 42.783 35.804 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 64.862 42.982 35.790 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 63.742 42.434 34.932 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 50.971 10.185 -13.290 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 50.988 10.628 -14.138 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 51.017 10.893 -12.647 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 85.178 43.382 22.637 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 84.333 43.009 22.382 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 85.809 42.681 22.471 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 73.052 11.209 1.942 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 72.925 10.439 2.496 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 73.966 11.157 1.665 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 20.789 51.434 39.715 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 21.603 51.221 40.169 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 20.666 50.718 39.092 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 20.366 32.107 -2.710 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 21.037 32.063 -3.391 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 20.786 32.579 -1.990 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 31.452 55.551 27.003 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 32.362 55.671 26.733 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 31.285 56.270 27.611 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 68.197 79.123 27.951 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 68.344 79.060 27.007 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 67.313 78.777 28.080 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 77.889 23.965 44.857 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 77.516 23.459 44.135 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 77.367 24.767 44.882 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 39.652 38.337 15.487 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 39.827 37.485 15.886 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 40.505 38.769 15.458 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 71.693 48.030 41.823 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 71.235 48.780 42.200 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 71.235 47.858 41.000 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 87.437 67.988 39.680 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 88.039 68.408 39.066 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 87.551 67.051 39.526 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 42.564 89.572 -18.233 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 42.329 89.685 -19.154 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 43.520 89.604 -18.223 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 90.383 7.116 42.728 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 91.207 7.057 43.211 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 90.182 6.213 42.485 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 90.474 68.073 20.672 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 89.613 68.438 20.874 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 90.330 67.535 19.893 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 89.461 48.397 54.815 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 89.033 49.131 54.373 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 88.788 48.039 55.393 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 37.087 26.061 -16.352 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 36.436 25.531 -16.810 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 37.879 25.983 -16.885 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 28.185 66.224 51.106 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 28.061 67.168 51.010 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 28.862 66.006 50.465 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 88.544 65.713 50.192 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 88.954 66.564 50.032 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 89.088 65.091 49.710 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 77.330 92.639 -4.628 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 78.241 92.685 -4.919 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 77.125 93.527 -4.337 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 41.187 0.337 36.256 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 42.130 0.313 36.419 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 40.865 -0.503 36.582 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 62.625 86.466 61.330 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 62.523 86.978 62.133 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 61.729 86.266 61.058 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 89.235 37.642 39.042 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 89.486 38.286 38.380 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 89.622 37.968 39.854 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 36.094 34.125 51.899 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 37.011 33.898 51.748 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 35.604 33.362 51.590 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 58.913 92.645 29.251 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 59.095 91.827 28.787 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 57.958 92.687 29.298 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 26.974 29.025 59.425 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 26.025 29.095 59.525 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 27.324 29.749 59.944 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 21.475 66.358 58.751 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 21.185 67.042 58.148 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 22.428 66.347 58.661 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 84.492 38.363 54.855 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 83.638 38.632 54.515 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 84.816 39.132 55.324 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 46.353 11.330 33.156 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 46.498 10.410 33.377 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 46.388 11.355 32.200 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 27.052 74.870 44.487 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 26.212 75.185 44.154 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 27.670 75.038 43.776 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 23.308 77.777 22.910 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 22.386 77.601 22.725 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 23.787 77.196 22.319 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 33.229 28.265 17.342 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 34.109 28.151 16.982 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 32.646 28.155 16.591 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 59.447 91.972 -13.554 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 58.979 91.560 -12.828 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 59.097 91.545 -14.337 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 61.864 39.214 49.043 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 61.839 39.689 48.213 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 62.130 39.871 49.687 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 20.624 61.427 -15.895 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 20.911 62.317 -15.689 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 20.684 60.957 -15.062 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 86.637 90.742 48.397 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 86.755 89.832 48.669 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 86.047 90.692 47.644 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 57.693 82.182 30.203 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 58.209 81.454 29.856 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 56.930 82.231 29.628 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 77.874 62.923 -17.684 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 77.271 62.533 -17.051 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 77.841 63.862 -17.500 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 63.826 30.481 36.039 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 63.797 29.993 35.216 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 63.111 31.113 35.968 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 84.012 49.551 7.406 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 83.484 50.344 7.312 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 84.896 49.871 7.587 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 79.728 5.448 -7.294 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 79.716 6.141 -7.954 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 79.127 5.755 -6.614 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 42.979 45.551 1.030 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 42.112 45.950 1.101 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 43.370 45.961 0.259 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 67.282 95.828 45.095 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 67.580 96.661 44.729 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 66.346 95.799 44.893 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 83.820 25.383 48.024 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 84.726 25.104 47.896 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 83.846 25.930 48.809 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 89.608 52.078 65.584 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 89.505 53.014 65.411 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 89.620 52.010 66.539 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 27.682 62.544 -16.102 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 27.771 61.597 -15.988 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 27.216 62.643 -16.932 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 87.605 33.173 50.866 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 88.057 33.987 51.086 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 88.198 32.482 51.160 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 58.625 5.846 4.101 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 58.269 6.619 4.540 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 59.341 6.184 3.564 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 23.525 34.104 15.651 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 24.223 33.955 15.014 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 23.722 34.962 16.028 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 33.578 15.901 58.639 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 33.801 15.203 58.023 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 34.417 16.311 58.850 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 89.252 56.741 48.400 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 89.706 56.056 47.908 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 89.954 57.261 48.791 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 58.987 92.437 -18.323 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 58.268 92.072 -18.839 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 58.719 92.309 -17.413 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 84.801 9.727 56.791 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 84.359 10.575 56.755 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 85.212 9.707 57.655 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 32.745 12.758 52.882 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 32.662 13.703 52.761 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 33.626 12.552 52.569 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 86.346 36.757 -0.630 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 86.883 37.495 -0.919 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 86.920 35.995 -0.713 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 39.065 81.067 45.373 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 39.142 80.981 44.423 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 38.209 80.693 45.579 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 59.511 2.038 4.541 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 58.783 2.657 4.598 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 59.732 1.842 5.452 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 62.597 10.439 -3.019 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 62.701 11.090 -2.325 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 62.388 10.952 -3.800 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 71.923 85.258 44.047 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 72.467 84.673 44.575 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 71.511 85.842 44.683 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 73.667 40.627 4.778 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 73.399 41.118 5.554 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 73.313 39.748 4.916 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 61.652 82.894 54.757 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 62.336 83.376 55.223 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 61.662 82.022 55.151 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 41.806 62.488 44.483 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 42.531 62.415 43.862 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 41.586 63.420 44.486 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 51.986 96.327 13.807 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 52.758 95.847 14.106 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 52.309 96.882 13.097 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 76.140 52.407 15.026 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 76.079 53.047 15.735 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 76.113 51.557 15.467 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 43.350 3.204 6.857 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 44.247 3.474 7.056 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 42.805 3.750 7.424 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 47.870 49.534 -15.590 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 48.266 50.387 -15.414 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 48.580 48.907 -15.453 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 71.270 61.247 29.594 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 71.879 60.514 29.682 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 71.284 61.674 30.451 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 23.958 76.681 56.292 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 23.277 77.112 56.808 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 24.309 76.007 56.874 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 23.356 49.091 58.688 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 23.183 49.727 59.382 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 23.150 48.244 59.082 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 40.712 69.869 58.973 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 41.221 70.417 59.571 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 41.328 69.198 58.680 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 76.102 64.407 63.739 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 75.423 65.032 63.991 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 75.895 63.615 64.235 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 59.376 27.705 39.538 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 59.165 27.840 38.614 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 60.114 28.292 39.704 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 24.583 82.296 12.484 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 23.974 81.566 12.375 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 24.310 82.717 13.300 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 76.244 75.854 42.345 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 75.461 75.355 42.113 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 76.580 75.423 43.130 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 69.740 68.602 44.563 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 69.288 69.168 45.189 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 69.793 69.125 43.763 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 35.031 69.076 39.473 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 35.973 69.225 39.393 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 34.809 68.528 38.720 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 63.586 1.848 -14.787 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 64.500 1.670 -15.006 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 63.502 1.580 -13.872 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 75.417 92.149 7.185 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 75.771 91.379 6.741 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 75.027 92.673 6.485 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 79.669 70.375 33.375 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 79.423 69.536 32.984 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 79.158 71.024 32.892 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 31.012 33.462 55.463 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 30.826 33.849 56.318 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 31.132 34.212 54.881 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 28.671 72.176 28.290 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 29.265 71.656 27.748 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 28.979 72.036 29.185 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 75.033 76.757 23.431 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 74.224 77.259 23.527 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 75.464 76.833 24.282 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 77.952 77.821 -10.173 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 78.099 76.990 -9.722 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 78.578 77.816 -10.897 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 90.257 94.278 52.099 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 90.405 95.059 52.633 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 91.041 94.208 51.554 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 53.071 32.929 -19.683 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 53.182 32.063 -20.075 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 53.755 33.464 -20.085 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 40.303 10.077 -4.638 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 39.365 9.894 -4.698 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 40.354 11.020 -4.481 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 68.646 84.845 44.887 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 68.948 84.123 45.438 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 68.626 85.602 45.473 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 32.467 93.900 32.744 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 31.642 93.432 32.869 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 32.609 94.362 33.570 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 52.373 53.310 66.495 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 51.569 52.932 66.139 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 53.067 52.984 65.923 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 64.636 92.631 46.101 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 65.078 92.380 46.912 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 64.400 93.550 46.230 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 76.382 93.951 65.099 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 76.342 94.010 64.144 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 75.730 94.581 65.406 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 19.927 13.778 59.111 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 20.552 14.361 58.679 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 20.356 13.531 59.930 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 68.470 77.168 36.556 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 67.576 77.405 36.804 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 68.383 76.781 35.685 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 28.584 4.905 46.229 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 28.692 4.108 45.710 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 29.473 5.141 46.494 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 88.946 96.517 12.387 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 89.644 97.170 12.335 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 88.996 96.183 13.282 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 81.901 47.867 8.049 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 81.289 47.928 7.315 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 82.632 48.432 7.800 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 85.644 68.781 32.433 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 85.097 69.561 32.340 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 86.342 69.048 33.031 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 50.197 35.413 2.857 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 50.702 34.613 2.716 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 50.319 35.614 3.785 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 78.374 51.337 52.746 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 78.038 51.977 52.119 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 78.450 50.526 52.244 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 34.608 66.934 45.580 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 34.987 66.059 45.499 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 34.799 67.357 44.743 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 77.904 48.423 11.728 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 78.697 48.354 11.196 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 78.151 48.998 12.453 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 23.190 87.464 26.306 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 23.807 87.689 25.610 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 23.473 86.600 26.607 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 39.940 0.313 -8.155 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 40.525 0.733 -7.524 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 40.044 -0.625 -7.992 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 43.981 5.606 -17.366 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 43.126 5.913 -17.065 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 44.542 6.380 -17.324 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 70.007 93.508 -19.540 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 70.344 94.247 -19.034 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 69.559 93.910 -20.284 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 69.074 67.894 -15.607 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 69.281 66.959 -15.587 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 68.335 67.962 -16.212 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 25.863 76.377 22.436 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 26.638 76.751 22.017 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 25.910 75.442 22.237 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 80.975 62.706 -0.465 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 80.271 62.068 -0.349 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 80.529 63.552 -0.505 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 39.006 1.754 -5.290 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 38.389 1.679 -4.562 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 39.831 2.013 -4.880 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 75.505 53.024 2.936 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 74.947 52.703 3.644 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 75.523 53.974 3.056 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 65.192 58.994 3.556 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 65.367 59.624 4.255 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 65.514 58.160 3.898 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 27.796 65.098 47.328 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 27.712 64.175 47.088 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 28.740 65.253 47.360 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 31.917 81.292 63.119 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 31.387 80.548 62.835 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 31.375 82.059 62.931 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 32.498 77.074 38.828 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 32.314 77.260 37.908 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 31.749 77.436 39.301 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 27.100 57.588 48.038 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 26.519 56.975 47.587 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 27.827 57.046 48.346 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 82.733 73.443 -12.925 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 82.618 72.908 -12.139 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 83.679 73.460 -13.067 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 20.485 77.183 49.901 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 19.651 77.507 49.560 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 20.795 76.570 49.235 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 89.892 68.232 -0.311 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 89.213 68.604 -0.874 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 90.705 68.358 -0.801 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 34.972 68.880 49.011 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 35.529 69.272 48.338 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 34.119 69.297 48.889 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 43.300 90.152 59.007 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 43.464 90.367 59.925 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 42.561 90.707 58.759 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 81.185 57.613 5.846 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 80.308 57.323 6.097 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 81.666 56.803 5.676 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 50.131 4.801 49.194 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 49.767 4.077 49.704 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 49.390 5.389 49.049 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 52.457 30.797 31.188 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 51.625 31.122 31.532 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 52.498 29.887 31.481 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 77.109 20.934 5.791 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 78.019 21.146 6.000 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 77.091 20.868 4.837 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 40.925 95.964 16.175 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 41.292 96.004 15.291 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 41.339 95.197 16.572 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 74.675 3.410 -17.351 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 74.190 2.628 -17.087 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 74.140 3.802 -18.042 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 72.048 67.594 53.448 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 71.776 68.242 52.798 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 72.983 67.758 53.572 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 41.288 68.406 -5.195 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 41.420 67.566 -4.757 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 41.512 69.060 -4.533 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 70.904 91.043 61.517 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 70.700 90.277 62.053 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 70.880 91.778 62.130 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 62.761 86.753 -3.933 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 63.062 87.555 -3.506 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 63.376 86.619 -4.654 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 49.886 33.987 11.482 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 49.748 33.117 11.106 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 49.286 34.025 12.227 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 64.516 14.405 -2.435 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 64.865 14.786 -1.629 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 63.896 15.059 -2.759 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 37.226 66.211 60.944 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 36.903 66.564 60.115 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 38.068 65.812 60.724 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 33.762 18.952 -13.962 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 33.290 19.776 -13.848 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 34.172 18.790 -13.113 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 31.681 22.839 9.490 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 32.254 23.543 9.188 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 32.112 22.036 9.196 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 71.635 79.782 29.249 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 71.138 78.982 29.075 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 71.866 79.724 30.176 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 87.237 91.723 16.980 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 86.506 91.447 16.427 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 87.853 92.135 16.374 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 73.312 22.466 -15.053 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 73.903 22.030 -15.667 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 73.695 22.299 -14.192 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 73.190 74.079 -16.178 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 73.079 74.099 -17.128 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 72.389 73.671 -15.850 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 27.351 18.833 30.617 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 28.125 18.502 31.074 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 26.824 19.242 31.304 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 64.814 12.109 10.711 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 65.694 12.138 11.087 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 64.454 11.272 11.006 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 47.570 81.122 -15.304 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 46.786 80.978 -15.833 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 47.362 80.729 -14.456 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 73.941 87.696 24.229 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 73.954 88.045 25.120 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 74.854 87.733 23.943 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 82.066 51.674 58.596 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 82.610 50.948 58.291 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 81.341 51.709 57.972 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 35.155 35.666 59.334 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 35.305 36.526 59.726 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 36.002 35.225 59.391 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 27.274 58.133 27.908 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 28.166 58.436 28.074 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 27.383 57.342 27.380 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 83.654 83.466 -3.113 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 83.531 84.371 -2.826 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 84.523 83.457 -3.512 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 35.757 11.887 -1.529 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 36.232 12.700 -1.356 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 35.683 11.851 -2.483 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 47.505 53.568 65.502 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 47.755 54.374 65.051 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 47.205 53.858 66.363 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 41.177 38.199 28.409 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 42.016 37.740 28.385 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 41.211 38.802 27.666 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 88.925 89.840 61.895 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 88.501 89.259 61.263 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 89.540 90.355 61.372 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 69.894 66.546 12.823 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 70.787 66.559 12.479 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 69.658 65.618 12.844 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 70.872 54.113 37.937 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 69.953 53.887 38.081 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 70.894 54.478 37.052 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 61.254 67.829 -11.438 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 62.156 67.898 -11.752 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 60.744 68.350 -12.058 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 85.151 77.442 48.673 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 85.417 78.361 48.692 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 85.105 77.187 49.595 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 67.033 49.333 28.163 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 67.085 50.202 27.766 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 66.223 48.959 27.817 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 85.399 87.539 34.303 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 85.743 86.868 34.892 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 84.568 87.182 33.991 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 66.804 64.578 -10.355 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 66.496 64.981 -11.167 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 66.208 64.909 -9.683 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 70.452 63.948 3.831 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 70.107 64.773 4.174 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 71.386 64.114 3.701 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 84.577 81.403 57.932 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 84.428 81.229 58.861 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 83.971 80.817 57.478 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 37.455 66.600 52.982 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 38.356 66.361 52.764 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 36.983 66.539 52.152 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 47.651 5.848 -17.801 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 47.278 5.069 -17.387 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 46.994 6.530 -17.663 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 42.615 63.459 49.448 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 42.634 64.322 49.862 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 43.282 63.507 48.763 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 50.988 15.990 22.779 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 50.899 16.920 22.985 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 50.713 15.919 21.864 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 27.309 3.164 17.449 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 27.940 3.057 18.160 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 27.615 2.568 16.765 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 65.924 2.548 -10.809 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 66.529 2.081 -10.234 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 65.120 2.028 -10.785 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 32.206 60.416 60.986 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 31.963 59.756 60.336 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 32.802 61.003 60.520 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 90.405 92.233 -17.196 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 90.493 93.117 -17.553 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 90.151 91.696 -17.946 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 53.835 94.135 49.089 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 54.372 94.927 49.055 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 53.640 93.937 48.173 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 80.636 84.782 30.831 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 79.964 84.311 30.338 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 80.145 85.373 31.401 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 51.134 6.792 54.714 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 51.696 7.364 55.236 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 50.344 6.684 55.244 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 68.996 29.432 18.461 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 68.119 29.092 18.281 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 69.488 28.672 18.773 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 22.527 75.946 13.201 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 22.086 75.096 13.180 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 21.886 76.557 12.837 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 31.312 49.919 22.360 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 32.181 50.210 22.638 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 30.770 50.706 22.403 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 76.477 85.008 37.072 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 75.615 84.600 36.998 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 76.303 85.948 37.018 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 81.749 93.673 21.910 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 81.319 94.483 21.635 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 81.748 93.714 22.867 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 40.754 74.322 52.156 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 39.900 73.956 52.386 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 40.776 74.298 51.199 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 64.113 90.095 61.418 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 64.559 90.256 60.586 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 64.820 89.978 62.051 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 69.069 66.297 2.036 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 68.366 66.838 2.397 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 69.720 66.252 2.737 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 47.998 87.863 20.766 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 47.381 88.228 20.132 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 47.690 86.968 20.912 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 31.213 3.532 40.302 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 31.181 2.829 40.951 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 31.579 3.120 39.520 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 85.386 85.040 -15.516 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 84.886 84.293 -15.187 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 86.011 85.236 -14.818 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 45.716 64.306 -17.317 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 46.409 64.921 -17.556 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 45.526 63.832 -18.126 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 41.355 55.868 -14.118 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 41.369 56.424 -14.898 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 41.520 56.470 -13.392 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 80.825 56.783 -8.945 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 80.063 56.991 -8.404 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 81.346 56.187 -8.407 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 26.872 73.541 30.520 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 27.434 73.410 31.284 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 27.134 74.395 30.174 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 81.164 80.341 30.640 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 80.633 80.500 29.859 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 81.565 79.486 30.487 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 20.668 59.228 -18.115 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 20.619 58.720 -17.305 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 19.925 59.830 -18.067 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 35.935 25.634 -4.237 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 36.731 25.175 -3.966 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 36.151 26.562 -4.146 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 31.336 62.295 14.551 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 32.150 62.642 14.186 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 31.163 61.503 14.043 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 64.102 65.320 35.167 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 64.459 64.776 35.869 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 63.421 64.780 34.767 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 62.046 74.326 47.307 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 61.593 74.536 46.490 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 62.774 73.766 47.040 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 72.422 33.588 -11.055 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 72.856 34.441 -11.040 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 72.646 33.190 -10.215 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 85.226 33.878 15.803 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 84.898 32.980 15.837 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 85.201 34.178 16.711 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 45.653 17.946 -5.417 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 44.858 18.456 -5.266 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 45.350 17.039 -5.472 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 22.812 39.533 44.396 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 23.357 39.318 43.638 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 22.434 40.386 44.185 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 28.916 20.454 -10.052 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 28.369 20.809 -10.752 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 29.208 19.605 -10.383 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 45.147 71.314 59.482 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 44.396 71.397 58.894 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 44.784 70.934 60.282 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 49.316 56.868 60.397 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 49.822 57.550 59.956 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 49.507 56.070 59.903 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 41.579 39.971 -10.977 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 42.468 40.318 -10.895 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 41.461 39.426 -10.199 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 66.133 73.276 33.607 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 65.834 72.509 33.119 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 65.420 73.464 34.218 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 87.072 3.395 56.240 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 87.255 3.455 57.178 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 86.419 4.075 56.079 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 79.944 61.071 -13.759 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 79.905 61.857 -13.215 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 80.096 61.400 -14.645 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 23.660 32.898 28.636 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 23.327 33.111 29.507 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 24.248 33.622 28.420 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 45.042 73.575 27.857 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 45.087 72.640 27.655 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 45.951 73.832 28.009 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 50.524 90.657 -10.552 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 51.059 89.922 -10.852 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 49.648 90.468 -10.887 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 62.542 84.794 -18.673 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 63.013 84.999 -19.481 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 63.169 84.983 -17.975 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 34.506 61.408 22.149 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 34.500 62.366 22.143 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 35.311 61.177 22.611 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 22.397 51.079 -4.387 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 22.703 50.933 -5.282 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 21.628 50.516 -4.301 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 70.009 22.903 -2.069 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 70.161 21.958 -2.071 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 70.878 23.286 -1.946 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 61.890 34.099 2.483 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 61.575 34.156 1.581 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 61.128 34.321 3.017 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 44.290 74.798 63.244 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 44.100 74.534 62.344 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 43.911 75.673 63.323 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 60.232 30.563 33.747 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 59.532 30.771 33.127 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 59.964 29.734 34.142 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 56.273 0.421 12.091 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 56.384 0.095 11.197 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 56.755 1.248 12.106 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 71.695 65.356 55.056 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 72.051 66.073 54.531 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 70.749 65.400 54.913 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 42.746 10.468 20.227 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 42.914 10.351 21.162 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 42.874 11.404 20.075 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 71.023 52.811 33.338 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 70.380 52.214 33.720 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 70.628 53.094 32.513 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 90.308 75.524 7.562 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 91.111 75.138 7.912 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 90.607 76.105 6.862 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 55.813 44.933 48.737 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 56.688 44.689 49.040 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 55.226 44.631 49.430 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 85.565 59.180 26.585 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 86.383 58.890 26.989 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 85.825 59.498 25.720 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 67.488 51.537 41.464 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 67.629 52.451 41.711 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 66.874 51.204 42.118 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 66.824 40.673 0.171 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 67.491 40.068 -0.155 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 66.129 40.642 -0.486 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 50.880 1.197 35.016 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 51.556 1.843 35.218 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 50.839 1.184 34.059 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 80.382 91.646 2.133 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 80.263 91.517 1.192 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 80.831 92.488 2.205 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 66.286 77.255 -5.106 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 65.813 76.728 -4.461 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 67.001 76.691 -5.399 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 35.256 23.714 39.531 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 36.204 23.838 39.486 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 35.115 22.824 39.206 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 43.478 76.026 -6.466 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 43.882 76.851 -6.737 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 43.405 75.518 -7.274 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 88.522 1.585 66.492 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 87.972 0.808 66.589 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 88.146 2.054 65.747 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 64.397 62.821 36.211 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 64.204 62.262 36.964 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 63.814 62.504 35.521 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 45.953 87.479 -17.554 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 46.473 86.783 -17.955 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 45.102 87.075 -17.385 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 78.599 29.088 -15.906 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 78.340 29.585 -16.681 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 77.990 29.371 -15.224 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 88.752 74.755 38.060 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 88.338 74.643 37.204 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 89.369 74.026 38.125 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 32.375 91.627 11.619 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 31.749 92.307 11.869 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 32.679 91.263 12.451 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 75.181 70.879 55.252 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 75.264 70.825 54.300 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 74.276 71.154 55.399 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 47.126 85.259 3.048 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 46.447 84.639 2.782 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 47.854 85.087 2.452 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 82.637 45.260 38.264 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 82.248 45.631 37.472 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 83.205 44.558 37.946 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 70.573 59.797 0.381 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 70.478 60.482 1.043 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 70.805 59.013 0.879 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 21.873 30.834 24.344 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 22.363 31.448 24.892 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 22.046 31.123 23.448 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 63.755 22.917 2.807 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 63.014 22.314 2.738 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 64.491 22.438 2.426 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 87.695 49.295 4.816 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 87.722 49.879 5.575 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 86.820 48.909 4.842 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 49.015 81.293 27.635 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 49.494 81.369 26.810 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 48.922 80.351 27.773 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 85.662 13.951 61.666 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 85.913 13.736 62.564 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 86.021 13.237 61.139 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 75.184 21.114 49.977 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 74.544 21.246 49.277 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 74.820 21.585 50.727 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 46.050 57.498 -0.689 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 45.576 56.720 -0.395 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 45.778 58.187 -0.084 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 30.600 37.161 30.301 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 30.590 36.618 29.513 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 29.688 37.425 30.423 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 54.849 2.191 23.432 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 54.831 1.234 23.459 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 54.077 2.460 23.929 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 81.442 15.725 63.371 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 81.041 15.372 62.577 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 82.126 15.094 63.595 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 83.698 39.530 44.216 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 83.918 38.750 43.707 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 82.784 39.711 43.995 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 37.142 2.215 31.319 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 36.962 3.035 30.858 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 37.998 2.352 31.725 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 57.528 66.545 -17.115 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 56.772 67.133 -17.109 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 57.170 65.693 -16.867 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 24.261 73.201 19.995 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 25.206 73.072 19.917 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 23.947 72.409 20.433 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 52.438 13.570 5.919 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 52.972 13.694 5.134 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 51.715 14.190 5.818 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 86.240 56.556 21.738 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 86.173 57.305 21.146 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 85.434 56.061 21.592 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 64.291 48.917 39.431 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 64.306 48.685 38.502 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 63.847 49.765 39.460 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 43.306 42.470 54.189 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 43.657 43.285 54.549 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 43.165 42.659 53.262 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 49.746 35.538 23.171 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 49.867 34.763 23.719 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 50.352 35.412 22.440 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 90.233 33.272 -15.104 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 90.045 32.348 -15.271 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 91.111 33.407 -15.460 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 61.193 70.102 30.479 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 61.284 69.224 30.848 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 60.738 69.968 29.648 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 49.757 77.527 51.399 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 50.373 76.822 51.597 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 50.017 77.837 50.532 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 27.505 39.189 45.670 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 28.123 39.852 45.979 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 28.036 38.401 45.553 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 25.791 3.122 -14.209 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 25.658 2.177 -14.131 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 24.922 3.498 -14.072 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 69.649 71.156 0.259 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 68.718 71.360 0.178 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 70.077 71.730 -0.376 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 81.687 56.918 59.021 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 81.502 56.958 59.960 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 82.226 57.689 58.850 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 50.172 91.147 33.220 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 50.740 90.745 32.563 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 49.606 90.435 33.517 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 48.731 90.629 12.798 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 48.059 89.966 12.953 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 48.691 91.196 13.568 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 84.795 1.193 6.893 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 85.207 1.270 6.032 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 85.343 1.726 7.470 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 71.405 93.522 59.289 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 71.734 94.102 58.603 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 71.788 92.668 59.086 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 78.379 93.878 6.180 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 77.762 94.480 6.596 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 78.953 94.443 5.662 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 22.570 87.662 53.971 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 22.446 87.932 53.061 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 23.100 86.867 53.916 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 22.947 39.130 20.248 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 23.704 39.470 19.772 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 22.286 39.818 20.173 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 24.611 18.290 39.510 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 24.687 18.327 38.556 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 23.668 18.299 39.676 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 28.088 80.212 45.514 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 29.000 80.147 45.795 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 27.582 80.145 46.324 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 72.386 40.888 42.460 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 71.844 41.639 42.700 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 71.910 40.467 41.744 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 49.676 6.533 -1.945 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 50.508 6.689 -1.497 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 49.614 5.580 -2.010 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 67.826 61.222 30.430 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 67.892 60.337 30.788 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 66.993 61.228 29.959 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 58.288 71.121 36.483 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 58.772 70.412 36.059 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 57.491 71.214 35.960 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 51.786 6.671 -13.399 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 52.450 7.319 -13.635 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 52.106 6.286 -12.583 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 80.208 38.323 -1.646 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 79.530 37.878 -2.154 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 80.459 37.689 -0.974 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 81.488 55.513 -0.797 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 82.412 55.692 -0.972 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 81.498 54.831 -0.126 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 72.175 31.225 -12.531 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 72.965 30.903 -12.095 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 72.019 32.084 -12.140 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 30.826 83.455 43.853 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 31.421 83.187 44.553 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 31.382 83.929 43.234 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 21.693 55.827 17.021 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 22.274 55.080 16.876 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 21.863 56.409 16.281 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 36.010 96.269 11.421 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 36.909 96.585 11.328 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 35.919 96.071 12.353 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 74.750 69.425 -13.280 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 74.453 68.523 -13.159 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 74.986 69.720 -12.401 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 60.986 52.449 -8.228 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 61.448 53.183 -7.824 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 60.930 51.790 -7.536 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 74.746 20.137 45.400 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 75.428 20.327 46.045 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 73.946 20.045 45.918 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 31.315 45.227 36.936 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 31.275 45.858 36.218 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 30.410 44.942 37.057 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 83.759 84.562 -9.140 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 83.609 84.534 -8.195 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 84.312 85.332 -9.273 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 44.306 44.485 11.019 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 44.905 44.781 11.705 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 44.611 43.604 10.799 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 29.049 23.299 56.985 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 29.007 23.717 57.845 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 29.217 22.376 57.174 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 74.250 77.096 56.720 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 73.953 76.486 56.045 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 75.148 77.314 56.468 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 61.500 62.579 48.873 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 61.563 62.611 47.918 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 60.914 61.843 49.050 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 66.546 4.192 52.934 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 66.520 4.172 53.891 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 67.267 4.786 52.726 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 63.989 36.395 29.332 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 64.733 36.508 29.924 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 63.839 37.267 28.966 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 79.293 93.256 -14.825 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 79.289 92.472 -15.373 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 79.769 93.907 -15.341 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 46.587 21.827 1.630 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 47.081 22.075 0.848 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 47.013 22.302 2.343 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 88.602 80.634 60.958 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 87.745 80.960 61.231 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 89.005 80.314 61.766 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 56.364 33.083 -11.421 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 56.007 33.176 -12.304 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 55.744 33.549 -10.861 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 74.770 41.369 43.492 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 73.883 41.508 43.161 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 75.304 42.010 43.024 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 67.580 41.803 40.517 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 68.043 41.791 41.354 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 67.148 42.657 40.493 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 32.028 47.120 21.865 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 32.026 48.071 21.976 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 32.812 46.941 21.346 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 83.053 67.596 51.452 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 82.804 68.520 51.415 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 83.898 67.593 51.901 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 65.410 47.664 64.933 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 65.146 48.373 64.347 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 65.886 48.101 65.640 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 49.911 77.189 33.983 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 50.603 76.570 33.748 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 49.104 76.676 33.933 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 27.784 68.994 50.896 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 27.941 68.848 49.963 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 26.858 69.232 50.949 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 25.471 96.385 33.144 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 24.542 96.448 33.367 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 25.608 97.070 32.490 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 45.571 91.219 0.025 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 45.982 91.392 0.872 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 45.518 92.076 -0.396 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 50.542 23.971 57.952 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 50.352 24.473 58.745 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 51.079 24.557 57.419 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 71.209 71.590 24.356 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 70.356 71.485 23.933 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 71.013 72.026 25.185 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 34.872 41.052 -14.739 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 34.078 40.963 -14.212 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 35.558 41.264 -14.105 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 89.758 49.097 57.680 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 90.125 48.286 57.327 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 88.899 48.844 58.019 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 87.582 2.683 -14.832 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 86.802 2.284 -15.218 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 87.247 3.423 -14.326 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 75.513 94.764 -10.777 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 75.896 93.922 -11.024 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 76.005 95.033 -10.002 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 80.594 79.448 34.227 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 80.584 79.707 35.149 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 80.962 80.205 33.770 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 74.976 46.812 39.984 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 74.221 46.768 40.570 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 74.666 46.429 39.163 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 22.993 96.712 34.906 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 22.252 96.110 34.976 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 22.955 97.234 35.708 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 66.841 75.757 64.272 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 66.357 74.938 64.166 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 66.472 76.341 63.609 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 75.534 84.628 10.237 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 75.085 84.870 11.048 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 76.356 84.233 10.527 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 30.391 56.847 -17.973 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 29.680 56.543 -17.409 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 30.770 57.590 -17.503 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 35.086 3.005 21.334 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 35.063 2.150 21.764 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 34.804 3.621 22.009 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 54.049 68.924 62.516 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 53.995 69.004 61.564 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 53.202 68.559 62.774 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 80.910 61.540 28.997 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 80.858 62.355 28.497 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 80.420 60.906 28.474 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 73.391 32.867 20.279 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 74.030 32.506 19.664 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 72.932 33.543 19.780 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 85.988 21.442 50.729 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 85.046 21.307 50.623 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 86.116 21.506 51.675 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 51.488 65.711 42.304 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 51.083 65.237 41.577 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 51.186 65.250 43.087 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 46.587 33.914 -15.125 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 47.046 33.142 -15.457 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 46.001 33.573 -14.450 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 90.281 92.199 54.384 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 89.354 91.988 54.269 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 90.500 92.739 53.624 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 31.776 36.236 22.763 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 31.649 35.678 21.996 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 32.239 37.004 22.427 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 50.572 3.880 23.380 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 50.319 4.422 22.633 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 49.921 3.178 23.398 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 78.199 52.521 -16.281 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 77.707 51.789 -15.909 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 78.001 53.260 -15.707 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 65.261 65.886 -18.181 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 64.607 65.878 -18.880 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 65.209 65.012 -17.794 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 23.229 61.351 9.548 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 23.628 61.048 10.364 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 23.413 60.655 8.917 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 50.631 2.684 17.932 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 51.096 3.518 17.871 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 51.144 2.083 17.392 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 40.056 36.505 63.233 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 40.621 36.974 62.620 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 39.272 37.050 63.303 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 25.641 72.114 28.323 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 25.462 71.499 29.035 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 26.524 72.437 28.501 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 61.589 69.811 38.442 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 60.926 69.300 37.977 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 62.298 69.918 37.807 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 21.968 69.102 3.685 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 21.343 68.401 3.869 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 22.610 69.044 4.392 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 85.098 74.991 60.472 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 85.147 75.947 60.489 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 85.760 74.729 59.832 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 66.578 19.612 -16.473 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 67.021 20.022 -15.731 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 67.274 19.156 -16.946 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 51.453 42.659 50.640 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 50.984 43.112 51.341 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 51.654 41.797 51.004 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 35.608 0.388 -12.894 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 36.015 -0.478 -12.921 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 35.885 0.808 -13.709 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 67.745 25.368 51.343 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 68.378 25.980 50.966 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 66.914 25.597 50.928 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 53.759 41.866 61.361 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 53.415 42.714 61.644 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 54.500 41.701 61.944 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 51.156 66.533 14.866 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 50.425 66.113 15.320 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 51.684 65.805 14.538 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 47.565 55.322 43.156 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 47.755 55.784 43.973 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 46.785 55.757 42.811 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 46.829 71.985 -14.363 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 47.512 71.466 -13.937 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 46.024 71.490 -14.214 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 83.676 9.445 -13.285 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 84.492 8.945 -13.303 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 83.716 9.996 -14.067 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 61.207 70.514 -3.909 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 60.469 71.021 -3.572 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 61.930 70.719 -3.316 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 36.482 46.496 26.580 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 35.695 46.783 27.044 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 37.010 46.061 27.250 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 23.920 94.153 26.046 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 24.797 94.410 25.761 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 23.456 93.947 25.235 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 80.465 48.737 35.437 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 81.190 48.600 36.048 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 79.857 49.305 35.911 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 84.712 51.895 -0.045 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 85.411 51.873 0.609 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 84.333 52.771 0.039 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 32.681 84.876 41.599 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 33.156 84.112 41.271 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 33.112 85.623 41.183 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 46.020 78.702 12.121 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 45.117 78.511 11.865 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 46.399 77.845 12.319 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 25.571 28.649 -6.917 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 24.811 28.383 -7.434 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 25.372 28.355 -6.028 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 49.147 85.694 1.112 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 49.690 86.439 1.369 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 49.748 84.949 1.106 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 52.162 87.555 11.893 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 52.148 86.917 12.606 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 52.432 87.051 11.125 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 89.054 4.179 -3.069 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 89.557 4.817 -2.563 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 88.236 4.629 -3.279 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 72.159 51.415 25.815 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 71.606 51.915 25.216 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 72.589 52.078 26.355 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 76.648 31.780 32.539 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 75.747 31.467 32.458 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 76.567 32.731 32.606 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 43.059 4.670 -10.635 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 43.411 3.819 -10.896 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 43.733 5.045 -10.069 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 37.272 91.183 41.775 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 37.608 90.437 41.279 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 37.969 91.392 42.397 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 51.921 90.045 28.771 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 51.463 90.706 28.252 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 52.467 90.550 29.375 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 52.641 16.618 30.686 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 52.100 15.842 30.540 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 52.389 17.221 29.986 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 88.016 68.304 18.087 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 88.742 67.783 18.430 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 88.413 68.849 17.408 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 51.470 93.089 17.084 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 51.751 92.504 17.788 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 50.950 93.762 17.524 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 55.743 37.813 63.146 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 55.722 37.379 62.293 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 56.054 38.698 62.957 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 24.650 69.175 54.208 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 24.016 69.752 54.632 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 25.307 69.767 53.842 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 37.497 68.068 -7.365 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 36.968 67.446 -6.865 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 37.593 68.823 -6.785 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 57.076 3.787 4.703 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 56.694 4.257 5.444 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 57.785 4.354 4.400 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 45.629 27.577 66.407 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 45.166 27.594 67.245 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 46.429 28.078 66.566 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 69.689 10.686 54.879 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 70.074 10.427 55.716 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 69.299 11.544 55.049 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 86.985 2.595 -4.025 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 86.378 1.991 -4.453 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 86.989 3.369 -4.587 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 42.728 92.275 64.694 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 42.990 93.117 65.066 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 42.343 92.497 63.846 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 34.431 76.699 24.784 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 33.886 76.486 24.027 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 35.198 77.136 24.413 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 46.116 51.070 -17.599 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 46.044 51.895 -17.117 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 46.672 50.519 -17.048 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 42.723 71.031 16.508 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 43.625 70.928 16.812 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 42.509 70.191 16.101 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 31.363 69.618 50.410 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 31.940 69.823 49.674 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 31.326 68.662 50.426 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 35.120 20.276 -7.236 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 35.634 19.474 -7.145 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 35.621 20.814 -7.848 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 57.916 51.576 61.875 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 58.492 51.514 62.637 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 58.123 52.425 61.486 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 23.066 45.815 56.362 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 23.625 46.142 57.066 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 23.673 45.594 55.655 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 83.669 47.661 29.430 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 82.783 47.878 29.718 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 84.013 48.479 29.071 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 44.438 86.508 51.388 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 43.844 85.936 50.902 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 44.007 86.639 52.232 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 41.874 77.678 27.278 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 42.001 77.721 26.330 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 42.655 77.233 27.606 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 40.809 8.622 19.363 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 40.024 8.944 19.807 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 41.390 9.382 19.322 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 40.064 73.422 15.487 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 40.296 74.101 14.854 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 40.833 73.347 16.051 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 24.472 1.061 59.573 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 24.358 1.231 58.637 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 24.713 1.910 59.943 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 46.027 0.133 -3.395 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 45.106 0.193 -3.648 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 46.503 0.109 -4.225 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 36.874 17.321 56.591 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 36.274 17.296 57.336 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 37.273 18.191 56.634 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 80.733 22.570 59.408 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 81.587 22.543 59.840 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 80.846 23.195 58.692 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 85.807 45.814 55.263 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 85.657 45.374 54.426 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 84.935 46.078 55.555 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 21.943 54.822 54.020 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 22.050 54.373 54.858 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 21.130 55.319 54.116 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 75.973 64.437 43.289 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 75.806 63.496 43.248 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 75.621 64.779 42.467 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 23.219 75.029 54.218 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 24.072 74.884 53.808 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 23.385 75.690 54.890 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 78.925 11.167 56.733 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 79.675 11.421 56.196 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 78.453 10.527 56.199 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 22.716 4.076 -19.768 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 23.211 3.312 -19.470 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 22.285 3.784 -20.571 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 47.280 71.115 55.028 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 47.264 70.168 54.889 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 46.664 71.464 54.384 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 35.507 2.333 64.160 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 35.665 3.275 64.219 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 36.336 1.970 63.849 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 48.157 14.976 28.071 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 48.617 15.201 27.262 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 47.873 15.818 28.428 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 65.399 51.111 13.238 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 64.910 50.501 13.790 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 64.813 51.860 13.130 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 72.128 47.001 61.215 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 72.901 47.263 61.716 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 71.599 47.797 61.157 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 24.251 15.298 40.572 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 24.147 14.466 41.034 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 23.408 15.439 40.141 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 76.797 78.309 63.549 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 77.534 78.918 63.503 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 77.014 77.621 62.920 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 82.622 79.654 51.150 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 82.507 79.819 50.214 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 83.313 80.260 51.418 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 79.476 52.741 16.149 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 78.903 51.976 16.201 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 79.918 52.652 15.304 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 30.957 87.722 21.433 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 30.730 86.851 21.108 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 31.887 87.662 21.652 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 62.671 87.942 23.409 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 62.923 88.031 24.328 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 61.741 87.717 23.436 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 51.324 89.626 66.055 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 52.101 89.186 66.401 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 50.813 89.855 66.832 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 63.785 79.350 -15.995 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 63.585 78.557 -16.493 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 63.058 79.943 -16.186 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 32.389 53.203 11.510 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 32.853 53.738 10.865 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 32.918 53.273 12.304 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 28.121 51.861 6.061 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 28.335 51.783 6.990 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 28.914 52.215 5.660 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 57.366 15.117 18.797 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 57.177 15.473 17.928 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 58.301 14.913 18.774 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 86.519 34.662 -3.171 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 87.198 34.640 -2.496 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 86.321 35.592 -3.281 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 86.696 19.525 -19.376 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 87.049 18.678 -19.645 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 87.244 19.791 -18.638 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 23.627 57.450 23.816 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 24.296 58.102 23.612 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 22.982 57.539 23.114 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 31.488 73.553 6.076 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 30.860 74.186 6.423 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 32.326 73.810 6.463 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 74.092 57.481 31.823 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 74.253 58.040 32.583 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 73.857 56.631 32.196 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 76.397 95.772 14.767 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 76.577 95.562 15.684 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 77.119 95.372 14.283 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 38.546 92.770 2.215 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 39.427 92.629 1.869 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 38.088 93.243 1.520 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 74.868 76.301 33.042 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 75.394 75.836 32.391 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 75.498 76.839 33.520 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 60.600 78.386 -16.840 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 60.457 78.567 -17.769 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 60.531 77.434 -16.767 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 52.338 53.002 55.187 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 52.553 53.902 55.432 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 52.306 53.015 54.231 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 38.313 20.399 -7.384 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 37.918 20.988 -8.028 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 38.943 19.882 -7.887 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 24.488 69.726 -8.284 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 24.096 68.852 -8.286 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 24.613 69.930 -7.357 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 89.675 72.485 5.824 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 89.946 71.725 5.310 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 90.417 72.662 6.402 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 58.620 15.276 -7.941 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 59.197 15.558 -8.650 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 59.213 14.962 -7.259 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 25.297 42.555 22.154 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 24.684 43.219 21.838 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 25.126 41.790 21.605 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 85.985 52.203 54.498 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 86.794 52.301 54.999 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 85.307 52.072 55.161 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 84.734 89.953 17.096 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 84.160 89.364 17.586 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 85.278 90.369 17.764 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 23.861 89.501 5.563 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 23.240 89.355 6.277 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 24.198 90.384 5.716 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 52.259 17.525 -9.007 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 51.760 18.231 -9.417 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 51.615 17.050 -8.481 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 23.271 12.218 -7.847 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 22.508 12.415 -8.390 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 23.744 13.049 -7.787 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 76.882 94.277 32.677 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 76.765 95.194 32.923 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 77.314 93.878 33.433 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 67.969 84.738 17.093 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 67.181 85.279 17.144 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 68.453 85.090 16.346 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 37.042 30.815 -5.761 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 36.749 30.178 -6.413 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 36.371 31.498 -5.775 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 44.261 79.671 52.224 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 44.646 79.727 53.098 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 45.012 79.656 51.631 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 32.553 59.971 33.711 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 32.701 60.386 32.862 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 32.507 60.700 34.330 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 53.915 22.369 -12.646 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 54.284 22.250 -11.771 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 54.628 22.752 -13.157 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 32.603 66.685 56.501 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 32.597 65.922 55.923 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 31.778 67.133 56.315 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 43.907 65.849 47.595 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 43.654 66.638 48.074 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 44.804 65.674 47.878 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 63.847 89.216 8.919 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 63.909 89.082 7.973 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 62.958 88.940 9.141 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 88.837 56.991 17.785 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 89.042 56.065 17.653 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 87.976 57.106 17.384 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 40.349 6.578 21.562 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 40.892 7.361 21.660 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 40.972 5.878 21.369 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 38.442 24.722 -10.340 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 39.297 24.293 -10.314 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 38.394 25.211 -9.519 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 80.237 26.647 28.959 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 81.077 26.970 29.285 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 80.321 25.694 28.983 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 27.169 81.708 12.099 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 27.255 81.003 12.742 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 26.339 82.131 12.316 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 68.794 12.361 58.898 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 69.480 11.929 58.387 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 68.507 11.696 59.524 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 23.696 71.606 0.766 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 23.045 70.905 0.731 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 24.482 71.187 1.118 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 37.226 88.745 40.851 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 37.814 88.455 41.548 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 36.508 89.182 41.309 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 87.323 43.722 2.121 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 87.930 43.315 1.503 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 86.454 43.500 1.785 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 24.467 85.214 53.897 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 24.684 84.878 54.766 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 25.206 85.776 53.664 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 71.038 10.879 -11.430 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 71.539 11.274 -10.717 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 70.303 11.478 -11.567 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 21.410 60.704 55.468 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 20.558 61.126 55.574 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 21.807 61.150 54.719 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 56.859 28.714 42.735 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 56.641 29.171 41.923 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 57.468 28.026 42.467 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 62.107 70.978 24.662 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 61.440 70.306 24.526 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 61.609 71.779 24.830 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 89.607 68.149 49.947 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 89.184 68.843 49.441 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 90.544 68.319 49.850 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 83.953 60.925 54.007 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 83.743 60.026 54.259 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 83.105 61.327 53.819 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 44.245 92.510 -3.058 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 44.355 91.559 -3.054 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 44.765 92.816 -2.315 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 46.528 38.227 8.876 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 47.360 37.892 9.211 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 46.086 38.584 9.647 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 57.831 66.914 30.356 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 57.253 67.656 30.537 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 57.248 66.156 30.331 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 37.225 89.370 21.946 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 37.344 90.038 22.621 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 37.863 88.691 22.166 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 87.376 81.660 50.784 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 88.301 81.786 50.571 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 87.379 81.024 51.499 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 85.169 38.895 24.407 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 86.057 39.146 24.156 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 84.665 39.706 24.351 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 37.396 81.401 31.495 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 37.215 80.561 31.916 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 36.541 81.706 31.190 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 41.499 36.637 43.855 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 40.893 36.785 43.129 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 41.937 37.480 43.976 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 49.162 84.033 53.953 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 48.935 83.266 53.427 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 49.191 83.706 54.852 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 37.311 69.346 -0.370 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 36.966 69.463 0.515 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 36.609 69.651 -0.944 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 69.769 80.643 19.018 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 70.324 80.034 19.505 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 69.326 81.157 19.694 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 71.190 9.506 49.988 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 70.461 9.771 50.548 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 70.931 9.783 49.109 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 22.009 78.796 62.714 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 22.930 78.635 62.919 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 21.718 79.412 63.386 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 41.257 71.013 5.332 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 41.561 71.284 6.199 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 40.665 70.281 5.504 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 26.223 34.676 1.782 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 26.095 35.542 2.170 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 25.713 34.699 0.972 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 63.958 6.814 8.495 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 64.275 7.662 8.805 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 63.487 6.445 9.243 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 41.858 48.148 61.273 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 41.991 49.046 61.578 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 41.274 48.234 60.520 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 82.529 34.599 43.660 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 83.366 34.766 43.226 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 82.653 33.760 44.104 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 52.466 63.057 7.722 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 52.315 63.970 7.965 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 52.748 62.636 8.534 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 35.956 67.466 43.144 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 36.178 67.199 42.252 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 36.802 67.575 43.579 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 52.283 94.028 7.396 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 52.257 93.883 8.342 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 51.520 93.558 7.060 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 61.004 86.314 29.908 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 60.563 85.468 29.837 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 60.315 86.958 29.742 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 40.338 53.017 67.665 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 40.830 53.745 67.285 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 39.547 52.957 67.129 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 56.399 80.903 36.094 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 56.064 81.364 35.324 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 57.014 80.261 35.741 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 84.029 14.842 59.746 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 84.207 15.770 59.590 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 84.454 14.654 60.583 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 67.031 62.350 35.968 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 67.187 62.029 35.080 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 66.083 62.481 36.012 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 54.749 90.921 -17.790 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 54.626 90.736 -16.859 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 53.861 91.015 -18.135 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 89.869 49.828 61.235 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 90.019 48.884 61.275 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 90.167 50.082 60.361 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 83.072 4.350 7.190 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 83.227 5.107 7.755 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 83.911 3.889 7.172 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 34.639 76.082 47.924 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 34.688 75.220 48.337 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 34.993 75.947 47.045 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 50.147 52.473 -3.411 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 50.037 53.278 -2.906 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 51.033 52.177 -3.201 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 63.168 46.995 43.218 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 63.623 46.462 42.566 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 63.736 47.755 43.345 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 27.401 22.161 64.109 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 28.355 22.107 64.065 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 27.126 22.288 63.201 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 37.587 59.237 10.470 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 38.061 58.893 11.227 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 38.011 60.075 10.282 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 72.209 77.690 -11.735 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 72.528 78.249 -11.027 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 71.855 76.919 -11.291 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 23.933 23.661 20.488 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 23.114 24.050 20.180 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 24.400 24.385 20.906 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 42.507 96.427 9.063 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 43.201 95.920 9.485 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 42.836 96.594 8.180 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 54.839 66.317 66.670 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 55.355 67.074 66.945 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 54.576 65.895 67.488 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 34.810 60.201 48.240 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 35.597 59.853 48.659 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 35.131 60.898 47.667 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 34.538 28.831 1.716 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 34.458 28.283 0.935 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 33.770 29.402 1.689 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 33.955 37.362 -12.621 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 34.723 37.498 -13.176 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 33.955 36.423 -12.437 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 21.180 83.702 -17.441 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 20.865 83.051 -16.814 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 20.826 83.414 -18.283 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 77.723 24.268 -5.172 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 78.079 25.141 -5.005 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 76.788 24.351 -4.988 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 71.165 91.095 49.265 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 70.276 91.134 48.913 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 71.218 90.239 49.689 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 29.564 8.485 -18.434 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 29.855 9.373 -18.226 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 30.127 8.211 -19.158 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 45.307 60.419 -15.237 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 44.906 59.551 -15.201 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 45.508 60.629 -14.325 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 76.919 75.985 46.848 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 77.621 76.588 46.601 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 76.130 76.365 46.461 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 49.837 75.468 43.982 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 50.586 75.606 43.402 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 49.149 76.028 43.622 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 59.006 27.189 64.976 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 59.406 28.039 64.792 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 59.087 27.085 65.924 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 70.147 10.244 57.613 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 70.674 9.516 57.284 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 70.108 10.104 58.559 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 73.709 34.468 -1.946 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 73.484 35.390 -2.071 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 72.966 33.988 -2.312 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 59.998 39.200 -7.008 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 60.425 39.722 -6.329 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 59.089 39.127 -6.718 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 84.728 43.191 -12.250 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 84.402 43.466 -11.393 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 85.126 42.335 -12.093 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 54.717 15.843 38.150 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 54.555 16.658 38.625 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 54.080 15.225 38.510 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 61.949 25.169 -11.732 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 61.150 25.463 -11.295 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 62.416 25.977 -11.949 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 36.168 42.082 63.214 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 35.777 42.640 62.541 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 37.089 42.014 62.963 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 84.055 72.956 39.717 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 84.284 73.644 40.343 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 84.750 72.305 39.811 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 69.767 52.709 24.486 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 69.705 53.652 24.334 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 69.005 52.343 24.038 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 56.430 95.710 15.919 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 56.671 94.938 16.430 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 56.014 96.296 16.552 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 79.485 81.345 -2.540 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 80.417 81.294 -2.752 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 79.454 81.326 -1.584 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 89.564 40.739 -6.778 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 90.434 41.095 -6.958 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 88.979 41.234 -7.351 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 72.788 91.766 28.863 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 72.074 92.136 28.343 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 72.352 91.194 29.495 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 31.614 83.060 17.155 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 32.331 83.475 17.634 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 31.963 82.919 16.275 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 51.171 60.001 45.340 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 50.600 60.191 44.595 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 52.056 60.019 44.975 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 27.916 67.376 -4.293 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 27.325 68.127 -4.345 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 28.790 67.751 -4.401 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 48.872 47.069 40.460 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 48.499 47.443 39.662 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 48.118 46.918 41.030 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 24.469 49.314 39.407 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 23.549 49.075 39.292 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 24.680 49.034 40.298 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 52.209 86.483 20.159 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 51.267 86.324 20.102 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 52.609 85.688 19.806 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 47.258 82.991 -18.616 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 46.453 83.461 -18.831 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 47.527 83.350 -17.770 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 45.882 68.309 50.841 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 46.730 68.194 50.411 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 45.242 68.236 50.132 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 43.266 57.450 7.084 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 42.338 57.441 7.320 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 43.719 57.177 7.882 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 41.324 25.244 33.785 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 41.371 24.525 34.415 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 42.127 25.165 33.270 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 79.645 91.364 -16.686 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 78.969 91.031 -17.275 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 80.455 90.961 -16.998 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 88.651 12.769 2.347 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 88.937 12.896 3.252 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 88.379 11.852 2.308 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 70.794 39.232 6.733 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 70.765 40.132 7.056 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 70.411 38.711 7.439 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 42.381 75.104 7.648 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 41.806 74.341 7.702 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 43.262 74.737 7.577 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 79.496 32.682 -15.574 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 78.857 33.153 -16.109 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 80.182 32.425 -16.191 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 35.036 72.437 -9.777 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 34.116 72.228 -9.939 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 35.513 71.658 -10.062 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 38.620 48.226 60.694 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 38.181 48.823 60.088 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 37.985 47.526 60.844 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 43.607 87.785 24.826 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 44.231 88.086 24.165 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 43.520 88.525 25.428 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 26.191 19.707 62.210 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 26.200 20.576 62.613 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 25.813 19.136 62.879 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 26.815 71.604 11.285 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 27.473 71.327 11.922 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 26.041 71.082 11.497 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 68.369 26.175 35.285 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 68.972 26.712 35.800 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 68.022 25.539 35.910 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 21.078 47.585 48.660 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 21.216 46.769 49.141 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 20.511 47.339 47.929 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 68.896 42.313 29.901 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 68.118 42.024 30.378 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 68.580 42.500 29.017 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 48.759 92.202 22.104 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 49.076 91.451 21.602 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 48.226 91.817 22.800 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 62.533 67.704 64.490 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 62.674 67.366 63.606 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 62.018 68.501 64.364 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 61.461 0.814 -4.473 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 62.219 1.374 -4.303 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 60.798 1.112 -3.850 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 26.913 31.356 40.660 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 27.514 30.611 40.679 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 26.107 31.023 41.054 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 77.796 24.138 16.268 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 77.016 24.686 16.182 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 78.489 24.745 16.528 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 80.230 85.829 49.213 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 80.037 86.287 48.396 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 79.667 86.250 49.863 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 83.412 85.040 4.885 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 83.671 84.155 5.141 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 83.081 84.944 3.991 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 75.677 68.988 49.527 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 76.161 68.766 48.732 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 76.321 68.906 50.231 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 72.927 66.635 41.054 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 72.393 66.979 41.770 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 72.456 66.889 40.260 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 65.676 52.583 30.246 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 65.084 52.252 29.571 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 65.372 53.474 30.417 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 56.765 47.833 47.327 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 56.967 48.311 48.131 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 56.066 47.228 47.576 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 53.715 20.804 -17.384 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 53.227 20.720 -18.204 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 53.508 21.684 -17.071 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 59.479 11.180 3.017 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 59.914 11.153 2.165 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 60.139 10.863 3.633 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 50.299 30.132 3.941 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 49.922 30.586 4.695 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 50.959 29.550 4.318 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 45.967 14.536 -19.954 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 46.836 14.594 -19.558 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 45.549 13.798 -19.509 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 40.523 35.699 -15.457 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 40.752 36.244 -14.704 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 41.242 35.070 -15.526 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 29.504 73.342 -16.645 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 30.080 73.863 -17.205 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 30.027 73.164 -15.863 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 40.441 86.971 12.686 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 41.209 86.423 12.523 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 40.594 87.759 12.165 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 34.593 56.776 66.901 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 35.159 57.226 67.528 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 33.911 56.373 67.438 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 36.407 58.085 64.939 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 37.204 57.567 65.051 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 35.905 57.929 65.739 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 49.897 11.603 51.012 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 49.083 12.047 50.777 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 49.632 10.934 51.644 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 28.393 73.984 56.105 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 28.367 74.925 55.928 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 28.170 73.908 57.033 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 38.007 82.895 17.679 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 38.435 82.230 18.218 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 37.076 82.679 17.726 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 27.430 38.425 35.412 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 28.254 38.381 34.926 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 27.044 39.262 35.154 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 86.856 73.715 36.246 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 86.733 72.836 35.888 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 86.507 73.663 37.136 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 63.448 65.005 -11.341 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 62.723 65.202 -10.747 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 63.711 64.114 -11.110 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 88.700 60.391 34.505 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 88.064 60.610 35.186 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 88.357 60.806 33.714 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 56.258 37.628 2.242 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 56.373 38.294 2.920 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 55.351 37.338 2.342 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 31.098 10.403 27.024 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 30.805 11.257 26.706 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 32.048 10.489 27.102 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 80.660 59.033 17.700 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 80.454 59.013 18.635 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 80.281 59.854 17.389 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 42.798 80.546 15.176 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 43.201 80.560 14.309 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 43.419 80.065 15.723 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 84.244 71.344 35.187 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 83.721 70.629 35.552 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 85.084 71.283 35.641 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 60.421 81.583 48.653 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 60.682 82.121 49.400 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 59.464 81.598 48.668 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 45.243 47.111 -5.024 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 45.832 47.795 -5.342 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 44.366 47.440 -5.216 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 74.930 68.469 56.770 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 75.709 68.139 57.218 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 75.268 69.095 56.130 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 20.813 59.082 -14.311 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 21.513 58.853 -14.923 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 20.344 58.261 -14.164 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 56.062 17.515 24.835 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 56.538 18.337 24.715 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 55.140 17.759 24.752 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 82.062 62.024 38.402 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 81.686 62.859 38.682 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 82.085 62.079 37.447 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 83.706 80.643 24.370 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 83.122 79.884 24.383 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 84.317 80.487 25.090 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 81.421 34.544 16.332 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 81.250 35.448 16.067 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 81.832 34.144 15.565 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 52.118 93.361 56.993 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 51.575 93.309 57.779 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 51.492 93.429 56.272 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 31.905 14.434 18.560 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 32.239 14.336 17.668 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 32.555 14.982 19.001 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 23.761 72.213 26.130 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 23.605 72.596 25.267 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 24.553 72.647 26.446 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 66.486 36.277 -2.585 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 66.916 36.746 -3.300 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 65.562 36.257 -2.832 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 62.659 38.913 -7.932 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 61.913 38.367 -7.683 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 62.494 39.753 -7.504 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 65.459 14.563 17.611 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 64.616 14.123 17.502 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 65.308 15.202 18.308 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 78.979 92.625 61.957 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 79.172 91.864 61.410 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 78.618 92.256 62.763 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 67.990 50.509 -4.207 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 67.280 51.082 -3.917 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 68.647 50.571 -3.515 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 75.861 92.421 49.449 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 76.799 92.228 49.469 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 75.472 91.782 50.047 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 88.860 38.960 -14.522 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 88.899 38.061 -14.196 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 89.525 39.428 -14.018 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 45.551 8.028 52.420 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 45.089 8.294 53.215 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 46.025 7.235 52.671 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 72.047 71.658 5.742 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 71.163 72.022 5.712 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 71.915 70.710 5.766 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 47.382 76.728 43.268 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 46.869 77.181 43.938 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 46.743 76.194 42.797 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 23.413 78.389 -17.438 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 22.841 78.376 -16.670 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 23.243 77.557 -17.878 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 50.077 38.946 59.196 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 50.935 38.697 58.850 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 50.248 39.728 59.720 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 22.538 84.623 5.216 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 22.606 85.565 5.060 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 21.622 84.414 5.031 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 28.734 72.975 32.625 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 29.685 73.017 32.732 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 28.494 72.107 32.948 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 21.243 80.885 0.450 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 20.894 80.811 -0.438 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 21.723 80.068 0.588 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 70.849 94.484 32.395 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 71.232 93.889 33.040 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 69.910 94.304 32.430 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 55.280 84.353 48.199 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 55.172 85.193 47.752 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 55.347 83.712 47.491 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 84.593 86.149 1.389 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 84.604 86.986 1.852 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 85.116 85.564 1.938 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 76.389 83.677 56.939 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 76.675 82.764 56.913 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 75.626 83.706 56.362 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 20.214 89.142 -19.579 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 20.213 88.860 -18.664 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 21.078 89.533 -19.708 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 28.748 77.298 21.441 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 28.563 78.178 21.114 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 29.198 76.862 20.718 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 71.399 43.843 66.070 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 71.474 44.761 65.807 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 70.766 43.851 66.788 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 63.991 67.624 -7.953 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 64.441 66.781 -7.898 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 63.084 67.398 -8.160 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 56.266 63.682 -5.648 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 56.670 64.402 -5.163 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 55.426 63.539 -5.211 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 53.487 92.620 29.464 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 54.117 92.160 28.910 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 53.911 93.453 29.670 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 44.506 72.654 -7.180 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 45.228 72.030 -7.255 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 43.915 72.261 -6.538 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 49.892 85.048 7.075 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 49.450 84.324 7.519 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 50.441 84.626 6.415 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 63.505 83.394 -3.238 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 63.725 84.315 -3.095 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 63.965 83.161 -4.044 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 89.414 47.964 45.105 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 89.919 48.710 44.780 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 88.671 47.899 44.506 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 68.402 2.160 44.593 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 67.630 2.622 44.267 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 68.176 1.918 45.491 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 36.420 66.516 58.397 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 35.674 65.951 58.193 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 36.352 67.238 57.773 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 42.353 6.322 54.503 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 42.299 5.756 55.273 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 42.840 5.807 53.860 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 76.341 76.682 7.404 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 76.858 76.898 8.179 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 76.465 75.740 7.287 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 69.788 89.049 -17.023 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 69.522 89.921 -16.732 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 70.744 89.062 -16.977 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 70.044 32.536 2.203 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 69.247 32.897 1.815 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 70.663 33.267 2.204 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 65.999 55.351 -9.443 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 66.664 54.760 -9.091 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 65.794 54.995 -10.307 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 89.848 46.842 52.420 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 89.735 47.616 52.972 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 90.511 47.099 51.779 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 43.398 75.686 49.580 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 44.187 76.040 49.169 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 43.423 74.750 49.381 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 48.321 9.309 -4.639 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 47.605 9.346 -4.004 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 47.939 9.644 -5.450 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 72.024 58.815 50.064 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 72.382 59.702 50.104 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 71.399 58.842 49.339 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 67.776 96.826 -5.144 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 67.976 96.653 -6.063 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 67.708 95.959 -4.745 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 68.457 74.278 11.466 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 67.786 74.033 12.103 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 68.075 74.054 10.617 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 26.593 80.816 1.216 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 27.062 81.588 1.532 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 25.677 81.092 1.173 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 20.924 35.948 9.335 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 20.504 35.431 10.023 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 20.779 36.857 9.597 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 71.531 86.356 20.017 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 71.035 85.537 20.009 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 71.386 86.733 19.149 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 82.362 32.994 51.425 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 83.297 33.151 51.554 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 81.932 33.714 51.886 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 87.959 0.592 35.805 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 87.011 0.666 35.694 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 88.221 -0.083 35.180 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 51.507 75.612 28.945 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 51.367 74.766 29.370 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 51.960 75.399 28.129 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 30.603 88.618 25.510 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 30.717 87.708 25.785 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 31.385 88.812 24.993 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 47.283 41.324 1.975 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 46.895 40.629 2.506 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 47.074 42.131 2.446 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 32.484 78.258 10.391 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 32.479 79.187 10.620 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 33.312 77.929 10.740 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 57.054 35.413 64.572 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 56.451 35.588 65.295 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 56.651 35.839 63.815 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 44.776 82.331 33.945 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 44.784 81.425 33.637 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 43.886 82.636 33.769 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 31.613 83.050 24.835 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 31.653 82.747 23.928 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 31.023 82.433 25.268 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 87.085 84.394 63.184 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 87.988 84.197 62.936 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 86.586 84.292 62.373 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 37.737 13.195 54.934 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 38.566 13.412 54.508 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 37.194 13.974 54.815 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 90.855 92.766 57.689 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 90.385 93.578 57.879 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 90.862 92.711 56.733 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 83.870 29.180 -14.305 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 83.210 28.774 -13.742 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 83.376 29.789 -14.853 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 51.659 95.950 36.689 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 51.310 96.465 35.962 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 51.169 95.128 36.658 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 23.939 66.670 -8.795 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 23.744 65.954 -9.399 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 24.894 66.678 -8.731 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 39.672 58.590 38.789 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 39.586 59.430 38.337 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 40.227 58.064 38.214 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 44.253 84.235 41.859 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 44.542 84.187 42.770 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 44.648 83.469 41.441 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 45.058 84.116 44.675 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 45.900 84.007 45.116 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 44.467 84.430 45.359 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 41.969 20.293 -9.203 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 41.776 21.216 -9.367 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 41.322 19.816 -9.723 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 83.712 71.564 -11.121 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 84.132 72.312 -10.695 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 84.424 70.943 -11.272 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 63.203 13.084 18.018 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 62.731 12.256 18.111 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 62.616 13.639 17.504 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 66.058 54.268 40.103 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 65.511 55.012 39.851 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 65.442 53.626 40.458 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 65.185 53.502 54.671 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 66.099 53.784 54.706 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 64.888 53.758 53.798 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 74.640 94.438 52.105 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 74.985 94.047 52.908 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 74.006 93.798 51.780 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 53.606 89.223 18.291 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 53.453 88.291 18.133 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 53.009 89.447 19.005 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 46.961 8.725 47.387 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 47.263 9.572 47.713 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 46.096 8.610 47.781 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 31.092 60.843 10.170 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 31.233 61.742 9.872 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 31.436 60.830 11.063 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 69.617 48.673 8.331 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 68.818 48.927 7.869 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 69.354 47.931 8.876 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 45.200 46.984 52.521 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 46.036 46.755 52.116 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 45.438 47.346 53.375 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 72.502 45.652 18.487 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 72.299 46.072 19.322 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 71.694 45.722 17.979 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 78.274 58.952 0.505 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 78.845 59.115 1.256 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 78.548 58.095 0.177 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 61.421 32.324 35.276 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 61.010 31.778 34.606 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 61.555 33.170 34.848 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 47.424 67.037 30.901 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 46.554 67.047 30.501 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 47.255 66.976 31.841 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 89.918 91.641 4.000 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 89.285 91.320 4.644 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 90.753 91.646 4.467 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 34.104 52.558 31.544 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 34.946 52.673 31.985 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 34.332 52.391 30.630 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 63.177 15.433 -12.252 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 63.271 16.369 -12.076 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 64.026 15.169 -12.606 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 21.222 88.528 60.001 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 21.070 87.727 59.499 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 21.500 88.221 60.864 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 37.743 58.500 62.045 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 38.104 57.615 61.996 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 37.981 58.903 61.210 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 37.395 61.737 57.662 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 37.142 62.604 57.343 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 37.508 61.852 58.606 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 71.463 88.992 11.296 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 71.345 88.158 10.841 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 71.768 88.746 12.170 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 82.527 10.266 -1.417 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 81.779 10.557 -1.938 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 83.147 10.994 -1.457 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 33.456 27.481 -0.709 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 34.229 26.996 -0.996 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 32.745 26.841 -0.741 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 84.729 91.547 38.397 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 85.463 91.165 37.915 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 84.386 92.224 37.814 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 76.609 79.769 21.096 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 77.173 79.422 21.788 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 76.213 80.552 21.478 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 57.891 69.480 -0.885 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 57.010 69.342 -0.537 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 57.971 68.841 -1.593 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 87.085 73.441 5.739 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 87.924 73.093 6.040 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 86.521 72.672 5.656 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 47.849 92.226 57.424 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 47.807 92.715 56.603 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 47.792 91.307 57.160 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 62.704 79.580 36.017 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 62.556 78.787 36.532 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 62.937 79.259 35.145 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 61.883 58.751 36.394 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 61.694 58.548 37.310 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 61.113 58.443 35.916 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 86.509 69.779 29.642 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 85.802 69.830 30.285 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 86.227 69.101 29.028 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 29.361 21.151 25.059 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 30.290 21.381 25.031 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 28.951 21.731 24.417 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 27.751 66.116 20.439 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 28.258 65.566 19.841 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 28.409 66.621 20.917 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 56.311 79.909 25.649 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 55.721 79.157 25.713 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 56.722 79.819 24.789 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 83.879 69.942 22.929 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 83.140 69.340 22.841 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 84.560 69.426 23.359 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 43.660 28.541 55.915 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 44.563 28.857 55.903 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 43.536 28.135 55.057 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 55.907 56.699 -9.373 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 55.255 56.318 -8.785 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 55.994 57.606 -9.078 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 34.051 4.831 23.450 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 34.259 5.715 23.754 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 33.138 4.698 23.704 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 34.443 59.123 -2.437 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 34.085 59.852 -1.929 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 34.189 58.342 -1.947 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 30.841 75.697 28.448 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 30.907 76.615 28.709 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 31.596 75.555 27.877 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 33.117 0.826 -3.336 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 33.447 -0.002 -2.987 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 32.716 1.261 -2.584 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 65.459 88.736 3.554 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 65.564 89.212 2.730 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 66.351 88.627 3.883 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 75.091 2.390 66.954 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 75.606 3.003 66.429 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 74.403 2.928 67.344 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 78.046 3.272 0.129 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 77.193 3.178 -0.294 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 78.242 2.400 0.471 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 31.147 62.420 50.419 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 31.206 61.839 51.177 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 31.243 61.840 49.664 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 60.457 63.709 31.139 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 59.964 64.299 30.568 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 59.786 63.204 31.598 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 25.359 29.665 54.980 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 25.588 30.574 54.785 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 25.997 29.394 55.640 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 36.826 94.860 -11.313 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 37.046 95.485 -10.622 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 37.641 94.385 -11.476 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 49.038 91.327 1.565 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 48.328 91.965 1.636 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 49.057 90.892 2.417 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 28.391 57.357 14.202 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 29.223 57.401 13.730 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 28.630 57.067 15.082 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 76.744 56.091 3.665 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 76.632 55.570 4.460 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 76.556 56.989 3.938 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 89.149 44.702 -12.256 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 88.246 44.868 -11.984 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 89.074 44.383 -13.155 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 58.946 22.160 4.914 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 58.353 22.236 4.166 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 59.341 23.028 4.995 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 34.208 59.700 14.442 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 34.962 59.317 13.994 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 34.589 60.301 15.083 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 33.683 71.967 34.831 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 34.480 72.495 34.782 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 33.877 71.192 34.303 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 61.978 65.729 -4.674 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 61.209 65.396 -5.136 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 62.036 65.191 -3.885 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 49.118 67.468 52.069 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 49.633 68.231 52.332 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 48.941 67.607 51.139 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 81.555 74.428 -15.698 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 82.194 73.818 -15.330 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 82.067 74.996 -16.273 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 33.998 16.075 4.940 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 33.815 15.923 4.013 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 33.171 16.396 5.298 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 89.915 3.670 11.059 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 90.172 3.015 11.708 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 89.071 3.998 11.369 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 30.768 86.254 -14.604 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 31.231 85.631 -15.164 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 30.627 87.020 -15.161 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 66.960 65.463 66.512 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 66.937 64.582 66.885 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 66.058 65.632 66.239 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 24.068 95.192 55.998 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 24.796 95.686 55.623 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 24.399 94.297 56.074 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 86.074 46.441 -0.528 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 85.994 46.352 0.422 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 85.233 46.803 -0.807 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 36.674 23.115 -0.422 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 37.394 22.990 0.197 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 35.921 23.331 0.128 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 69.848 71.849 47.167 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 69.196 71.155 47.066 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 69.831 72.318 46.333 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 55.229 85.247 -3.322 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 54.466 84.950 -3.817 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 55.351 84.580 -2.646 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 35.084 40.499 1.601 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 34.494 40.901 2.239 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 34.918 40.975 0.787 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 21.084 76.730 61.028 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 20.387 77.168 60.541 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 21.340 77.361 61.701 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 33.358 77.788 44.132 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 33.879 78.137 43.408 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 32.721 77.211 43.712 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 83.103 28.197 24.355 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 82.896 28.388 23.440 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 82.292 27.836 24.714 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 46.950 86.850 50.386 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 47.363 86.000 50.537 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 46.054 86.742 50.705 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 30.070 2.770 44.942 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 30.901 2.566 44.514 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 29.414 2.296 44.431 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 50.542 53.059 35.646 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 50.448 53.970 35.925 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 51.038 53.108 34.829 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 84.760 39.079 46.645 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 85.290 38.284 46.578 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 84.397 39.199 45.767 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 86.865 94.826 8.705 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 87.147 95.135 9.566 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 87.448 95.269 8.088 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 58.463 72.666 30.285 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 57.836 72.001 30.001 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 59.255 72.481 29.781 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 61.505 93.660 5.814 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 60.772 94.276 5.815 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 62.073 93.964 6.523 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 23.491 19.062 7.858 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 24.183 18.413 7.990 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 23.002 19.062 8.681 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 36.571 84.158 40.773 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 36.682 84.668 39.971 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 37.224 84.514 41.376 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 37.465 71.381 63.584 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 37.042 70.583 63.266 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 37.180 72.062 62.975 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 55.830 33.184 -17.037 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 56.231 32.864 -17.845 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 54.945 33.442 -17.294 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 86.045 74.657 -19.482 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 85.324 74.822 -20.089 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 86.324 75.527 -19.198 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 64.904 74.494 46.631 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 65.283 73.654 46.890 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 64.508 74.324 45.776 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 43.940 77.825 23.182 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 43.989 78.040 24.114 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 44.185 76.901 23.136 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 72.941 81.664 14.279 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 73.089 81.633 13.334 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 72.506 80.835 14.481 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 85.995 69.666 26.359 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 85.984 68.807 26.780 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 86.901 69.964 26.446 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 64.074 7.812 30.892 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 64.135 8.743 30.681 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 63.622 7.786 31.736 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 51.079 84.359 27.130 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 50.203 84.113 27.426 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 51.119 85.307 27.261 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 76.572 75.782 26.897 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 77.286 76.130 27.430 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 76.066 76.552 26.640 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 35.167 74.467 1.683 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 35.427 75.082 2.370 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 34.440 73.975 2.065 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 64.888 52.447 -5.734 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 64.668 52.968 -4.962 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 65.641 51.923 -5.463 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 85.760 25.798 -13.821 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 86.527 25.253 -14.000 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 85.327 25.888 -14.670 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 35.766 89.332 -3.209 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 36.635 89.556 -3.542 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 35.557 88.496 -3.626 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 37.100 65.332 36.694 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 37.310 64.976 35.831 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 37.468 64.699 37.311 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 59.388 76.498 38.166 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 58.794 76.563 37.418 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 59.440 75.560 38.350 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 44.831 43.227 41.716 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 44.024 43.582 41.343 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 45.461 43.257 40.997 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 45.043 49.432 58.890 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 45.200 49.858 59.732 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 45.202 50.118 58.241 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 43.998 81.484 10.709 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 44.549 82.262 10.624 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 44.357 80.865 10.073 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 83.314 82.668 28.598 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 83.004 83.045 29.421 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 84.118 82.206 28.833 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 69.604 21.257 56.326 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 70.486 21.543 56.568 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 69.032 21.962 56.630 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 29.886 96.052 -14.937 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 30.066 96.943 -15.237 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 30.742 95.706 -14.684 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 73.772 61.737 2.682 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 73.498 61.226 3.443 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 73.408 62.609 2.834 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 20.503 30.693 18.371 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 20.465 30.091 17.628 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 19.865 30.347 18.994 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 88.210 40.291 6.146 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 87.939 39.886 6.971 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 89.014 40.762 6.363 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 88.527 85.566 49.558 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 88.482 85.075 48.738 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 87.983 86.338 49.405 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 80.748 36.031 8.217 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 80.436 36.912 8.012 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 81.041 36.086 9.126 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 69.321 82.735 60.291 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 68.475 83.174 60.377 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 69.825 83.035 61.048 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 30.067 18.659 -19.612 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 29.726 18.186 -18.853 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 30.748 19.228 -19.254 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 39.812 3.708 19.588 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 40.173 2.961 20.065 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 38.864 3.575 19.617 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 28.476 80.298 -16.162 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 28.542 81.110 -15.659 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 28.882 80.504 -17.004 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 89.891 84.540 35.581 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 89.847 84.887 34.690 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 89.339 83.758 35.561 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 57.791 75.632 29.646 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 56.907 75.646 29.279 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 57.852 74.788 30.093 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 65.398 8.116 20.115 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 65.802 8.692 20.764 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 64.832 7.538 20.627 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 26.312 93.700 -14.334 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 26.514 93.971 -13.439 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 26.525 92.767 -14.356 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 65.872 16.142 47.478 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 65.941 16.993 47.911 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 65.489 16.338 46.623 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 28.051 11.053 -13.689 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 27.820 11.981 -13.645 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 27.210 10.597 -13.708 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 25.287 54.727 48.562 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 25.581 54.795 49.471 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 24.339 54.850 48.607 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 29.408 88.602 3.683 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 28.530 88.678 3.310 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 29.997 88.793 2.953 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 64.547 17.661 8.186 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 64.681 17.347 7.292 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 65.091 17.088 8.726 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 77.650 94.992 -1.256 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 76.837 95.497 -1.236 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 77.366 94.078 -1.239 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 26.588 26.227 11.474 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 26.199 27.081 11.664 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 27.203 26.078 12.193 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 26.154 96.313 52.148 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 26.089 95.867 51.304 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 26.435 95.630 52.758 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 58.940 63.014 -11.008 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 59.433 63.485 -10.336 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 59.364 62.157 -11.060 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 34.947 31.721 22.653 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 34.123 31.370 22.313 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 34.897 32.661 22.481 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 34.448 72.555 38.851 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 35.313 72.248 38.577 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 34.456 73.493 38.664 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 25.165 87.030 8.660 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 24.466 86.447 8.366 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 24.778 87.905 8.627 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 57.251 72.590 42.409 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 56.851 73.390 42.067 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 57.827 72.291 41.706 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 67.853 46.352 54.150 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 67.042 46.689 53.769 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 67.616 46.112 55.045 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 87.858 88.448 64.371 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 87.567 88.089 63.534 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 87.747 87.729 64.993 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 22.315 62.681 53.926 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 23.068 63.212 54.186 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 21.755 63.283 53.436 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 55.238 33.467 -2.313 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 55.710 33.511 -1.481 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 54.439 33.973 -2.162 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 42.934 3.672 29.175 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 43.710 3.857 29.704 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 43.272 3.545 28.289 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 67.623 16.580 58.600 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 66.795 17.001 58.831 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 67.736 15.896 59.261 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 73.914 74.259 55.484 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 74.486 74.150 54.724 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 73.501 73.403 55.599 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 85.320 34.756 7.156 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 84.545 35.306 7.038 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 85.454 34.343 6.302 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 87.361 23.696 51.977 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 86.522 23.539 52.409 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 87.895 22.935 52.206 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 41.149 60.848 15.320 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 41.481 61.745 15.279 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 40.810 60.758 16.210 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 87.153 65.392 42.876 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 87.373 64.948 42.057 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 86.620 64.759 43.357 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 36.087 8.005 13.326 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 36.980 8.211 13.602 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 35.792 7.338 13.947 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 87.294 50.594 61.878 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 87.088 51.366 61.351 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 88.224 50.435 61.717 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 25.448 4.283 13.149 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 26.288 4.499 12.744 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 25.557 4.522 14.069 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 64.346 20.810 5.590 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 64.719 21.453 4.988 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 64.896 20.865 6.372 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 49.517 23.247 43.405 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 49.782 23.894 44.059 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 49.503 22.417 43.881 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 49.178 84.373 34.825 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 49.022 84.609 35.739 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 48.787 83.504 34.731 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 68.763 83.798 -19.367 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 68.131 83.124 -19.617 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 68.234 84.484 -18.960 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 79.161 40.515 0.082 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 79.459 39.821 -0.506 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 79.923 40.711 0.627 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 78.014 66.972 53.996 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 77.863 66.212 54.558 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 78.967 67.054 53.956 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 65.719 73.224 24.604 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 64.950 73.189 24.035 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 65.413 73.672 25.393 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 23.334 66.164 39.757 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 23.776 65.325 39.891 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 23.819 66.579 39.043 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 83.230 76.806 42.288 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 82.988 76.578 43.186 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 84.029 76.306 42.120 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 89.267 17.541 48.708 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 89.601 16.734 49.098 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 89.360 17.408 47.764 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 46.660 25.002 43.886 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 47.044 24.473 44.586 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 46.794 25.906 44.168 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 49.167 89.319 28.756 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 49.751 89.732 29.391 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 48.835 88.542 29.204 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 37.804 29.367 38.628 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 37.196 28.638 38.751 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 37.329 30.132 38.952 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 27.000 79.987 -6.778 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 26.216 80.188 -6.266 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 27.090 79.036 -6.715 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 47.657 77.220 3.207 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 47.697 76.443 3.764 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 47.088 76.966 2.480 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 57.712 75.596 6.289 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 57.660 74.749 6.731 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 57.217 76.191 6.851 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 45.199 75.963 52.251 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 44.944 76.291 51.389 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 46.138 76.143 52.308 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 89.148 69.007 37.880 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 89.618 69.809 37.653 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 89.117 68.507 37.065 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 49.527 82.434 16.943 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 49.125 82.944 17.646 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 49.257 81.532 17.116 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 72.005 73.070 10.384 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 71.585 72.504 9.737 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 72.259 72.479 11.092 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 40.919 7.410 13.456 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 40.214 7.962 13.793 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 41.154 6.845 14.193 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 83.781 65.368 4.612 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 83.473 64.729 5.255 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 84.734 65.283 4.627 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 22.755 77.117 26.996 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 22.952 77.303 26.078 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 22.550 76.182 27.013 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 61.383 18.283 21.954 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 61.872 18.920 21.432 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 60.589 18.749 22.218 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 45.393 31.491 -10.897 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 45.041 32.328 -10.594 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 46.197 31.371 -10.391 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 42.609 3.385 -7.145 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 42.194 2.959 -6.395 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 41.897 3.514 -7.772 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 74.573 2.506 4.407 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 73.684 2.860 4.421 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 75.011 2.925 5.148 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 60.890 23.780 57.669 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 61.361 23.104 57.182 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 59.992 23.729 57.342 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 31.327 10.526 0.848 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 32.078 10.315 1.402 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 31.704 10.688 -0.016 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 81.528 92.884 66.855 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 82.009 93.499 67.408 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 81.014 93.439 66.269 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 73.074 31.104 65.197 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 73.293 30.541 64.455 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 73.391 30.626 65.963 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 37.465 88.681 64.816 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 37.611 88.140 65.592 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 36.520 88.833 64.804 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 85.530 66.895 18.159 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 85.473 66.627 19.076 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 86.448 67.137 18.037 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 67.653 22.486 4.785 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 67.871 23.418 4.777 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 67.462 22.292 5.703 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 77.503 83.443 -4.095 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 76.750 83.120 -4.590 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 78.002 82.656 -3.876 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 21.626 73.089 12.526 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 22.090 73.087 11.689 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 21.228 72.220 12.582 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 67.239 18.670 8.742 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 66.773 18.508 7.922 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 66.619 19.168 9.275 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 81.849 54.510 -7.905 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 82.630 54.014 -7.656 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 81.219 53.843 -8.179 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 60.787 80.705 -1.383 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 60.305 79.951 -1.044 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 61.455 80.880 -0.720 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 66.891 94.396 18.614 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 67.613 94.677 18.052 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 66.635 93.541 18.266 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 30.320 85.682 54.015 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 29.427 85.934 53.781 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 30.368 84.749 53.807 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 24.154 21.961 24.147 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 24.977 21.523 24.366 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 23.895 21.577 23.309 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 38.826 11.782 58.743 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 38.740 11.741 57.790 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 38.323 11.032 59.061 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 32.968 32.050 -17.253 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 32.272 32.706 -17.229 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 33.759 32.547 -17.464 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 67.657 59.246 14.479 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 67.135 58.584 14.025 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 67.117 59.508 15.224 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 60.092 57.778 31.074 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 59.797 57.259 30.325 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 59.574 58.581 31.028 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 79.167 45.021 64.099 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 79.601 44.319 63.615 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 78.410 45.251 63.561 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 79.820 38.745 7.584 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 78.877 38.586 7.631 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 79.906 39.696 7.641 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 34.443 74.912 -7.321 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 33.761 75.099 -7.967 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 35.218 75.365 -7.653 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 33.568 13.579 16.393 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 33.952 14.430 16.608 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 33.835 13.417 15.488 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 61.869 74.345 -8.737 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 61.587 75.158 -9.155 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 62.022 74.586 -7.823 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 44.909 70.135 -13.871 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 44.834 69.910 -12.943 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 44.064 70.529 -14.091 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 61.934 66.944 46.180 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 62.447 66.718 45.404 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 61.218 66.309 46.187 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 58.796 90.599 23.336 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 58.109 90.201 22.800 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 59.193 89.863 23.802 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 33.797 43.935 -4.896 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 33.989 44.353 -5.736 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 33.306 43.147 -5.127 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 53.717 65.667 -11.398 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 53.516 66.011 -10.527 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 53.976 64.758 -11.242 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 80.326 10.348 -10.950 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 80.400 9.419 -11.170 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 80.147 10.779 -11.786 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 45.285 48.359 55.205 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 44.335 48.480 55.213 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 45.640 49.239 55.332 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 57.419 81.209 21.516 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 57.535 81.863 20.827 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 57.851 80.425 21.178 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 50.215 63.561 15.945 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 50.782 63.659 16.710 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 49.909 62.655 15.987 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 67.420 82.572 46.769 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 67.250 83.459 46.454 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 67.605 82.067 45.977 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 75.126 88.026 -1.412 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 75.181 88.014 -0.457 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 74.704 88.860 -1.617 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 63.384 63.406 25.760 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 62.838 62.637 25.923 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 62.931 63.877 25.060 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 31.281 81.882 -18.141 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 31.450 82.820 -18.057 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 31.812 81.480 -17.453 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 47.840 72.741 28.386 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 47.996 72.214 29.169 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 48.453 72.394 27.738 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 28.811 65.118 17.803 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 29.546 65.491 17.316 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 29.102 64.236 18.036 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 40.351 47.242 9.024 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 41.269 47.058 9.224 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 40.249 48.176 9.207 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 89.841 39.350 36.813 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 89.602 39.553 35.908 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 90.110 40.190 37.184 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 27.855 27.317 -13.257 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 27.631 26.686 -13.942 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 28.003 26.781 -12.478 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 79.387 80.457 28.243 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 78.465 80.540 28.485 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 79.401 79.759 27.587 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 82.228 90.953 -17.515 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 82.742 91.568 -18.038 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 82.383 90.102 -17.925 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 57.792 78.720 50.669 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 57.147 78.740 49.962 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 57.272 78.616 51.466 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 43.777 60.603 58.151 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 43.621 61.331 57.550 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 43.284 59.873 57.778 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 42.583 3.710 21.159 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 42.709 3.808 20.216 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 41.874 3.072 21.241 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 44.736 56.775 54.181 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 45.063 56.292 54.940 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 43.819 56.954 54.387 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 46.779 4.192 55.643 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 46.861 4.273 56.593 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 46.731 3.249 55.486 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 78.073 73.865 -3.214 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 77.631 73.067 -2.925 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 78.125 74.409 -2.428 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 53.827 10.846 30.136 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 53.271 11.262 29.478 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 54.688 11.245 30.010 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 57.983 70.711 44.296 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 57.674 71.382 43.688 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 57.467 69.934 44.079 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 84.947 53.054 66.679 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 85.387 53.783 67.117 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 85.611 52.692 66.092 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 65.924 45.508 27.941 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 66.254 46.153 28.566 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 65.220 45.059 28.409 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 32.233 72.341 28.678 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 32.410 72.827 29.483 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 32.902 72.642 28.064 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 89.693 16.336 -7.627 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 88.919 16.374 -7.066 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 90.397 16.701 -7.091 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 59.698 94.063 -20.282 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 59.450 93.611 -19.476 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 59.389 94.961 -20.159 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 54.143 29.475 -4.452 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 53.982 29.593 -3.516 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 53.296 29.644 -4.865 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 41.361 23.726 66.162 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 41.084 24.092 65.322 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 41.360 22.779 66.022 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 34.016 93.807 40.482 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 33.401 93.340 39.917 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 33.978 94.715 40.181 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 35.982 48.095 -19.217 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 35.961 48.096 -18.260 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 36.880 47.847 -19.437 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 83.961 10.108 59.937 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 83.261 10.195 59.289 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 83.517 10.183 60.781 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 32.661 52.792 19.637 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 32.328 53.024 20.503 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 33.558 52.498 19.795 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 20.158 73.109 20.250 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 20.030 72.666 21.089 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 20.753 72.537 19.766 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 53.259 1.221 56.914 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 52.993 1.124 57.829 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 53.869 0.499 56.764 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 50.839 12.363 60.242 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 50.321 12.121 61.010 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 51.005 13.300 60.351 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 87.669 30.174 37.134 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 87.470 30.602 37.967 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 87.406 29.263 37.264 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 54.370 77.639 -11.164 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 53.893 77.719 -10.338 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 55.267 77.893 -10.949 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 31.649 62.089 35.840 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 31.539 62.116 36.791 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 32.232 62.822 35.645 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 49.163 82.831 2.638 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 49.377 82.348 3.435 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 48.208 82.887 2.639 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 33.258 87.834 28.688 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 33.531 87.317 29.446 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 34.054 87.935 28.167 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 50.791 50.575 53.087 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 50.410 51.335 52.648 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 50.982 49.960 52.379 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 62.932 50.635 14.681 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 62.624 51.509 14.924 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 62.827 50.113 15.476 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 44.395 80.205 -15.591 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 44.582 79.845 -14.724 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 43.806 79.567 -15.994 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 49.532 30.676 -0.967 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 49.790 30.215 -0.169 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 49.411 31.585 -0.691 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 35.822 43.362 9.193 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 35.962 44.308 9.156 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 35.114 43.248 9.827 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 86.322 2.453 8.660 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 86.403 3.301 8.224 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 86.407 2.653 9.592 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 68.157 9.441 42.820 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 67.672 9.313 43.636 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 67.713 8.879 42.186 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 75.474 58.595 64.995 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 75.240 58.159 64.176 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 76.146 58.034 65.383 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 26.188 0.136 55.074 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 26.435 0.116 54.149 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 27.019 0.205 55.543 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 39.696 2.382 58.384 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 39.483 1.735 59.056 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 39.641 1.899 57.560 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 78.248 23.910 64.293 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 78.472 23.866 65.223 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 78.525 24.785 64.021 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 25.294 71.291 22.883 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 24.361 71.114 22.767 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 25.557 70.724 23.609 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 66.372 82.620 15.976 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 66.739 81.772 16.227 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 67.073 83.247 16.153 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 89.917 92.401 62.702 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 89.894 93.261 62.283 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 90.840 92.150 62.684 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 73.351 92.139 16.720 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 74.087 92.725 16.895 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 73.757 91.291 16.540 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 44.930 34.852 34.817 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 45.776 34.421 34.692 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 44.931 35.571 34.185 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 46.725 67.408 33.747 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 47.424 66.818 34.028 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 46.288 67.665 34.559 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 76.121 45.248 26.062 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 75.836 45.942 26.656 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 76.545 45.710 25.339 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 66.983 52.385 -17.713 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 67.350 52.263 -18.589 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 66.185 52.894 -17.857 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 74.208 23.482 -10.224 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 75.055 23.048 -10.129 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 73.796 23.045 -10.969 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 48.602 85.717 -4.110 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 48.566 86.126 -3.246 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 47.772 85.957 -4.523 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 47.970 29.685 -2.915 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 47.929 30.451 -3.488 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 48.392 30.005 -2.118 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 54.526 79.839 32.426 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 54.451 78.955 32.067 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 54.323 80.415 31.689 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 79.052 91.582 21.380 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 79.222 92.220 22.073 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 78.158 91.282 21.545 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 72.439 47.922 29.298 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 71.693 48.522 29.282 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 72.934 48.176 30.077 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 21.172 96.475 64.309 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 22.057 96.225 64.044 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 20.788 96.867 63.525 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 87.374 62.895 5.229 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 87.921 62.780 6.006 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 87.265 62.011 4.879 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 32.484 80.021 35.062 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 31.663 80.423 35.345 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 32.468 80.086 34.108 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 23.285 7.970 -8.925 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 22.705 7.815 -8.179 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 22.773 8.521 -9.517 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 56.502 53.673 -3.098 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 55.954 53.810 -2.325 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 57.367 53.465 -2.744 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 83.757 67.535 -17.364 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 83.977 67.102 -16.539 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 84.539 68.040 -17.587 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 39.797 6.071 8.295 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 39.509 5.995 9.205 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 38.987 6.162 7.794 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 34.508 60.201 3.899 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 33.743 60.106 4.467 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 35.037 60.877 4.322 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 40.845 61.801 -11.425 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 41.073 61.811 -10.495 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 41.430 62.446 -11.823 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 54.713 69.600 51.449 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 53.808 69.820 51.229 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 55.219 69.870 50.683 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 81.061 86.008 5.692 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 80.930 85.971 4.745 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 81.872 85.522 5.841 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 76.248 65.408 32.755 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 76.560 64.558 33.066 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 75.839 65.219 31.911 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 24.384 61.861 35.047 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 24.820 61.078 35.383 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 24.730 61.966 34.160 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 75.545 49.896 19.220 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 75.668 48.962 19.390 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 76.159 50.095 18.513 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 77.908 94.953 61.157 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 78.028 94.003 61.154 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 78.471 95.269 60.451 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 23.246 70.828 -10.147 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 23.767 70.369 -9.488 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 23.195 70.215 -10.881 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 42.130 71.537 -5.949 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 41.264 71.287 -5.626 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 42.740 71.179 -5.304 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 35.151 15.488 -5.909 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 34.301 15.089 -5.723 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 35.065 15.830 -6.799 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 77.080 89.432 61.718 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 76.192 89.736 61.529 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 77.270 89.775 62.592 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 39.585 71.809 -15.015 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 39.531 70.858 -15.101 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 38.944 72.144 -15.642 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 64.435 89.500 5.744 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 64.597 89.129 4.877 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 63.727 90.130 5.607 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 31.991 55.317 -14.438 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 32.655 55.992 -14.579 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 32.481 54.495 -14.437 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 49.747 69.332 33.159 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 49.631 68.676 33.847 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 50.362 68.931 32.546 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 84.866 33.389 49.367 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 84.755 33.141 50.284 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 84.751 32.572 48.882 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 49.257 87.458 39.281 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 50.069 87.238 39.738 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 49.065 88.356 39.552 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 41.798 14.886 56.634 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 41.079 15.316 57.097 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 41.942 14.072 57.116 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 89.961 73.031 -9.222 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 89.910 72.770 -8.302 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 90.594 73.749 -9.233 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 59.722 95.437 47.577 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 58.995 96.060 47.571 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 60.014 95.418 48.488 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 37.146 65.627 48.525 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 38.079 65.481 48.682 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 37.069 65.684 47.573 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 73.761 56.133 14.352 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 73.656 55.881 15.269 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 73.293 55.457 13.862 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 26.581 32.765 -14.288 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 27.206 32.282 -14.829 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 26.919 32.680 -13.397 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 46.056 6.067 32.734 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 46.730 6.731 32.881 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 46.344 5.314 33.249 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 88.310 87.403 -7.631 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 88.786 87.860 -8.324 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 88.995 87.036 -7.072 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 45.901 18.489 49.415 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 44.951 18.488 49.524 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 46.206 17.758 49.953 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 77.256 66.224 66.047 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 77.628 65.922 65.218 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 77.089 67.156 65.909 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 35.471 72.187 14.375 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 35.527 71.253 14.575 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 36.278 72.558 14.733 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 85.556 67.327 27.292 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 84.805 67.115 27.847 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 86.196 66.641 27.482 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 31.393 74.271 -1.576 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 31.740 73.415 -1.324 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 32.032 74.898 -1.238 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 54.446 62.485 54.156 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 55.358 62.208 54.242 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 54.379 62.817 53.261 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 27.414 86.846 62.951 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 27.433 86.344 63.765 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 27.144 87.725 63.217 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 29.627 65.449 25.995 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 30.470 65.894 25.918 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 29.520 65.300 26.935 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 50.795 25.518 20.629 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 51.364 25.804 21.344 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 50.505 24.644 20.889 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 65.511 54.293 -11.910 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 64.564 54.237 -12.035 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 65.824 54.782 -12.671 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 21.875 94.348 40.884 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 22.207 93.997 40.058 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 21.080 94.822 40.641 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 35.093 82.219 -4.541 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 34.195 82.151 -4.864 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 35.516 81.411 -4.833 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 90.544 88.923 8.889 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 89.908 88.813 9.596 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 90.513 88.097 8.407 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 35.860 23.589 19.187 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 36.307 24.053 18.480 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 36.327 22.758 19.263 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 63.656 88.633 -12.984 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 63.424 87.820 -12.534 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 62.816 89.025 -13.220 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 74.263 30.422 -11.134 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 74.184 31.243 -10.648 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 74.120 29.740 -10.478 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 58.379 90.795 12.201 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 58.487 91.745 12.250 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 58.887 90.457 12.938 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 87.157 61.229 -7.797 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 87.902 60.630 -7.755 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 87.529 62.090 -7.607 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 53.443 6.513 64.790 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 53.889 5.688 64.595 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 53.019 6.757 63.967 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 47.733 18.975 37.549 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 47.828 18.647 36.654 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 47.036 19.628 37.492 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 87.548 40.005 41.021 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 86.639 39.822 41.258 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 88.001 39.171 41.146 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 22.927 73.451 -12.622 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 23.361 73.854 -11.869 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 23.581 72.853 -12.984 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 89.643 72.479 29.274 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 90.100 72.266 28.460 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 90.330 72.487 29.940 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 27.634 71.135 42.109 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 28.298 71.461 42.717 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 27.984 70.300 41.798 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 50.251 52.229 47.526 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 51.175 52.460 47.425 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 49.788 52.835 46.949 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 23.680 57.142 4.450 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 24.006 57.358 3.577 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 23.632 56.186 4.458 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 90.298 56.862 56.708 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 91.142 57.278 56.529 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 89.699 57.251 56.071 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 22.111 30.111 43.889 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 21.407 30.124 43.241 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 22.013 29.270 44.334 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 73.487 76.531 -1.024 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 73.250 75.604 -1.008 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 74.005 76.660 -0.229 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 73.950 82.389 20.151 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 73.424 82.741 19.433 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 74.081 81.469 19.924 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 28.423 1.372 57.319 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 29.349 1.553 57.482 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 27.956 1.997 57.875 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 27.333 66.045 65.648 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 26.422 66.006 65.357 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 27.834 66.208 64.849 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 59.053 46.705 -6.526 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 58.383 46.200 -6.985 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 58.561 47.338 -6.003 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 74.363 28.451 -13.189 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 74.128 29.008 -13.931 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 74.729 29.055 -12.543 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 79.430 83.186 -12.379 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 79.496 84.137 -12.291 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 78.504 83.025 -12.556 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 38.185 95.879 45.954 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 37.531 96.237 45.354 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 39.026 96.095 45.551 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 28.584 80.384 61.301 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 28.518 79.588 61.829 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 29.022 80.103 60.498 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 55.026 3.044 55.157 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 54.322 3.109 55.801 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 55.297 2.127 55.188 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 29.112 43.829 -16.035 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 28.379 44.116 -15.491 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 28.768 43.841 -16.928 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 33.186 37.694 18.900 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 32.692 38.470 19.168 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 33.943 37.678 19.484 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 88.856 94.524 10.554 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 88.899 95.050 11.353 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 88.941 93.620 10.856 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 30.353 76.774 10.092 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 29.644 76.862 10.728 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 31.043 77.350 10.420 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 33.468 41.956 44.772 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 32.863 41.247 44.988 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 33.018 42.457 44.092 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 59.989 87.357 23.225 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 59.206 87.716 23.641 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 60.035 86.454 23.539 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 24.611 53.649 18.285 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 25.263 54.300 18.545 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 24.339 53.920 17.408 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 21.642 81.819 53.451 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 22.270 81.975 54.156 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 20.836 82.239 53.751 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 88.203 83.934 58.506 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 88.867 83.980 57.818 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 88.573 83.337 59.156 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 23.542 78.966 -6.191 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 23.893 79.471 -6.925 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 22.888 78.390 -6.587 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 22.556 90.351 67.029 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 22.808 90.585 67.923 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 22.069 91.112 66.711 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 66.936 90.837 61.062 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 67.528 90.296 61.585 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 67.080 90.548 60.161 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 30.404 27.786 59.566 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 31.103 27.459 60.131 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 30.217 28.664 59.898 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 26.494 93.031 52.095 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 26.908 92.244 51.741 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 27.169 93.434 52.641 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 39.393 35.788 46.480 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 39.829 35.030 46.092 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 39.938 36.533 46.229 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 64.533 81.311 66.993 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 65.313 81.371 67.545 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 64.148 80.463 67.213 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 67.237 15.577 24.853 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 68.106 15.978 24.862 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 66.644 16.282 25.112 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 31.046 20.999 30.086 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 30.206 21.454 30.152 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 31.451 21.355 29.295 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 64.269 9.766 8.089 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 63.540 10.324 7.820 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 64.858 10.351 8.565 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 82.644 80.396 -0.153 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 83.193 81.095 0.202 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 83.264 79.722 -0.434 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 86.751 82.555 26.637 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 86.495 82.862 27.506 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 86.319 81.706 26.545 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 29.989 59.993 -1.931 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 29.926 60.933 -2.104 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 29.310 59.602 -2.480 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 37.688 95.899 1.306 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 38.262 96.630 1.078 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 37.158 96.227 2.032 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 61.993 56.215 32.201 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 61.353 56.834 31.849 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 62.375 55.799 31.428 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 88.870 88.418 31.158 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 89.596 88.892 30.752 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 88.145 89.043 31.157 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 22.463 76.141 -1.808 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 23.412 76.081 -1.914 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 22.108 75.602 -2.515 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 21.586 18.396 -0.035 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 21.593 18.598 0.900 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 22.041 19.132 -0.443 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 60.121 16.832 36.524 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 59.726 17.377 35.843 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 59.938 15.934 36.249 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 52.248 78.589 1.035 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 51.580 79.272 1.090 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 52.748 78.676 1.846 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 22.928 62.723 -19.180 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 23.225 62.373 -20.020 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 22.849 63.666 -19.328 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 37.205 1.605 35.082 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 38.022 1.486 34.598 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 36.935 0.717 35.319 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 25.711 87.686 39.632 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 24.811 87.368 39.558 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 25.878 88.130 38.801 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 72.633 1.396 -7.836 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 72.851 2.319 -7.706 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 72.229 1.365 -8.703 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 20.700 74.902 0.500 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 20.373 75.707 0.901 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 21.546 75.146 0.125 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 30.990 34.978 3.753 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 30.583 35.786 3.441 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 31.835 34.946 3.304 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 69.382 27.335 43.105 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 69.933 28.106 43.236 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 68.973 27.473 42.251 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 49.961 67.508 -6.307 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 50.815 67.483 -5.876 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 49.401 67.996 -5.703 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 35.009 25.893 41.667 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 34.853 25.180 41.048 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 35.951 26.053 41.616 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 67.325 68.686 26.872 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 66.478 69.052 26.619 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 67.414 67.896 26.339 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 73.815 12.018 44.475 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 74.332 11.487 45.080 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 73.125 11.430 44.168 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 86.849 5.207 47.910 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 87.437 5.055 48.649 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 86.437 6.050 48.101 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 34.214 50.428 66.154 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 33.378 50.324 65.700 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 34.243 49.700 66.775 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 26.174 59.755 51.778 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 25.294 59.644 51.416 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 26.744 59.808 51.011 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 43.330 4.768 52.615 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 43.494 4.857 51.676 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 43.964 4.115 52.909 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 65.758 68.732 46.765 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 65.758 67.897 46.298 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 64.900 68.771 47.188 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 75.372 89.351 47.866 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 75.330 88.828 47.065 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 75.121 90.233 47.590 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 20.109 95.789 28.847 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 20.173 96.643 29.276 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 20.963 95.382 28.995 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 83.266 82.114 12.803 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 83.875 82.654 12.300 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 83.768 81.835 13.568 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 55.375 65.546 -7.993 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 55.380 64.734 -7.486 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 56.261 65.895 -7.896 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 69.478 16.824 40.558 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 68.606 16.443 40.656 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 69.944 16.213 39.988 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 28.593 85.401 3.500 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 29.218 85.583 2.798 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 29.103 85.493 4.305 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 28.340 75.402 -6.952 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 27.953 74.534 -7.070 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 28.880 75.320 -6.167 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 24.654 85.112 65.302 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 24.450 84.493 66.003 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 25.137 85.815 65.737 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 59.984 36.966 44.517 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 59.325 37.328 43.924 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 60.788 36.946 43.999 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 57.092 21.945 60.715 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 56.198 21.719 60.969 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 57.076 22.895 60.601 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 35.953 94.713 -2.540 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 35.397 95.335 -2.070 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 35.610 94.713 -3.434 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 31.004 7.108 8.659 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 30.298 7.545 9.135 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 31.792 7.303 9.167 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 55.390 22.946 30.081 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 54.653 23.542 29.946 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 55.608 22.630 29.204 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 41.140 24.218 48.816 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 41.387 24.464 47.925 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 40.901 23.293 48.752 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 60.994 64.749 43.476 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 60.604 64.028 43.971 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 60.495 64.778 42.660 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 26.956 71.445 55.100 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 26.092 71.686 55.433 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 27.458 72.260 55.123 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 34.041 73.625 12.491 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 33.819 72.882 11.930 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 34.641 73.263 13.142 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 22.377 43.194 56.890 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 21.532 43.206 57.340 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 22.672 44.105 56.907 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 41.431 53.333 -14.261 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 41.457 54.284 -14.368 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 41.503 53.196 -13.317 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 41.970 80.497 34.556 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 42.153 80.228 33.656 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 41.595 81.374 34.473 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 45.822 86.144 58.225 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 45.158 86.599 58.743 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 46.335 85.655 58.869 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 78.878 94.774 26.209 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 77.930 94.638 26.224 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 79.074 95.187 27.049 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 25.415 93.703 61.559 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 24.700 94.208 61.170 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 25.635 94.176 62.361 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 75.029 81.267 54.187 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 75.369 80.786 53.433 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 74.113 81.437 53.970 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 77.654 25.419 -16.306 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 77.316 26.315 -16.296 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 78.576 25.513 -16.545 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 55.096 16.536 -19.888 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 55.358 15.722 -19.456 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 55.892 16.845 -20.320 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 80.447 75.621 0.164 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 79.754 75.896 -0.438 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 80.564 74.688 -0.015 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 75.497 36.302 27.442 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 76.073 35.701 26.970 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 75.990 37.121 27.487 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 83.674 85.438 -1.059 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 83.670 85.719 -0.144 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 83.108 86.068 -1.506 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 67.820 21.211 -3.111 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 67.050 21.726 -3.355 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 68.416 21.304 -3.854 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 70.422 0.355 49.124 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 71.204 -0.189 49.032 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 69.985 0.015 49.906 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 30.478 80.956 36.792 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 29.597 81.201 37.073 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 31.004 80.996 37.591 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 43.825 15.162 8.309 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 44.356 14.437 8.640 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 43.402 15.524 9.087 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 38.702 -0.021 26.614 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 39.077 0.795 26.284 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 38.432 0.184 27.509 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 42.803 8.769 -5.904 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 41.968 9.091 -5.566 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 43.460 9.137 -5.313 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 28.808 40.183 26.869 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 28.939 40.157 25.921 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 29.586 39.760 27.231 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 32.622 34.681 -6.687 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 31.756 34.365 -6.428 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 32.814 34.215 -7.501 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 30.635 71.947 15.109 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 31.189 71.324 15.579 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 30.973 72.806 15.360 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 81.575 55.772 55.729 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 82.190 55.888 56.454 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 82.016 55.164 55.136 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 52.037 88.454 34.333 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 52.033 87.976 35.162 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 51.113 88.527 34.094 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 43.831 90.087 61.747 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 44.083 90.617 62.503 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 44.357 89.291 61.827 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 34.591 52.533 28.922 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 34.900 51.669 28.650 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 35.318 53.122 28.722 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 59.892 59.540 20.924 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 59.562 60.199 21.535 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 59.736 59.917 20.058 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 59.284 27.995 -12.172 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 58.368 28.271 -12.214 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 59.244 27.054 -12.002 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 26.715 96.461 1.451 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 27.630 96.637 1.235 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 26.435 97.227 1.953 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 83.203 96.307 -9.150 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 82.587 95.804 -8.618 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 83.582 95.665 -9.750 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 86.261 13.410 -8.575 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 86.376 12.672 -9.173 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 85.366 13.710 -8.732 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 37.160 64.155 56.713 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 36.477 64.777 56.459 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 37.891 64.704 56.995 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 50.621 92.397 41.854 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 49.953 92.057 42.449 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 50.233 92.313 40.983 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 70.151 87.345 25.264 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 70.840 86.753 24.960 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 69.549 86.783 25.750 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 22.062 58.599 45.160 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 23.013 58.704 45.141 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 21.728 59.353 44.675 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 58.818 58.316 40.744 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 58.806 58.630 39.839 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 58.267 57.533 40.734 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 47.822 50.174 33.805 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 47.951 50.968 33.287 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 46.934 49.888 33.588 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 78.909 16.308 42.144 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 78.087 15.828 42.039 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 79.526 15.656 42.475 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 22.260 87.747 62.213 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 23.131 87.392 62.391 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 21.749 87.533 62.994 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 83.257 92.201 -7.452 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 83.188 93.123 -7.204 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 82.576 92.080 -8.114 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 84.335 17.980 -4.783 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 83.798 17.262 -4.448 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 83.881 18.272 -5.573 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 23.450 74.694 -15.029 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 23.181 74.354 -14.176 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 24.405 74.739 -14.979 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 79.619 18.296 -5.851 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 78.781 18.643 -6.158 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 79.893 18.903 -5.164 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 78.824 46.045 15.276 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 78.115 46.032 14.633 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 78.509 46.627 15.968 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 45.136 90.686 39.769 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 44.280 90.560 39.360 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 45.001 91.398 40.393 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 45.384 80.641 1.128 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 45.117 79.729 1.243 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 46.039 80.613 0.431 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 34.954 83.003 30.380 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 34.688 82.085 30.334 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 34.172 83.493 30.127 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 62.861 63.902 -7.532 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 62.931 63.673 -6.605 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 61.937 64.121 -7.655 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 28.070 87.072 35.508 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 28.426 86.590 36.255 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 27.596 86.413 35.001 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 67.400 43.302 27.319 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 66.926 44.132 27.364 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 67.979 43.397 26.563 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 62.902 9.449 61.632 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 63.731 9.121 61.979 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 62.232 9.008 62.155 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 55.630 87.192 -6.693 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 55.960 87.546 -5.867 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 54.714 86.979 -6.515 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 61.182 29.175 30.628 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 60.694 29.827 31.130 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 61.991 29.621 30.377 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 23.350 10.660 59.238 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 23.815 11.096 58.524 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 23.367 11.292 59.957 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 89.568 13.655 55.168 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 88.863 13.027 55.322 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 89.218 14.491 55.478 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 23.286 64.189 32.935 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 23.176 64.307 31.992 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 24.203 63.938 33.041 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 45.723 81.331 28.146 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 45.334 80.464 28.266 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 46.662 81.162 28.062 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 32.546 62.354 -19.477 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 32.151 63.187 -19.733 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 31.865 61.910 -18.972 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 47.635 81.751 33.985 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 47.795 81.493 33.077 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 46.712 82.004 34.003 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 83.001 86.304 60.507 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 83.617 86.640 59.856 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 82.137 86.497 60.143 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 37.008 18.641 -9.420 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 36.422 19.160 -9.970 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 37.348 17.963 -10.004 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 64.869 89.515 -18.105 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 65.415 90.139 -17.626 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 64.317 89.114 -17.433 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 79.242 59.519 14.270 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 79.869 60.138 14.642 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 78.905 59.036 15.024 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 51.198 93.367 61.046 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 50.868 92.995 60.228 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 50.413 93.663 61.508 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 70.100 79.887 -7.340 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 71.038 79.838 -7.155 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 69.821 78.974 -7.410 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 78.429 53.365 26.242 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 77.529 53.152 26.490 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 78.542 52.963 25.381 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 78.029 20.160 54.602 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 77.209 20.644 54.502 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 78.711 20.792 54.376 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 79.363 27.365 55.951 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 80.109 27.381 55.352 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 78.607 27.196 55.388 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 32.218 50.713 29.947 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 32.805 50.176 29.415 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 32.423 51.613 29.696 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 32.581 23.951 39.059 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 33.463 23.945 39.430 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 32.343 23.026 38.991 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 34.053 75.104 38.346 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 33.453 75.839 38.478 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 34.383 75.221 37.455 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 43.232 96.000 13.666 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 42.866 95.121 13.572 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 44.174 95.860 13.761 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 87.774 16.829 65.959 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 88.605 16.455 66.251 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 87.924 17.063 65.043 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 88.971 53.652 -3.796 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 89.139 53.088 -4.550 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 88.032 53.836 -3.838 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 74.311 32.262 25.253 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 73.430 32.532 25.512 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 74.745 32.038 26.077 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 65.391 71.226 26.679 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 64.627 70.845 27.112 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 65.140 71.284 25.757 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 29.554 13.453 39.240 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 29.967 12.862 38.612 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 29.570 12.973 40.068 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 73.809 93.584 -1.779 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 73.396 93.969 -2.552 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 73.077 93.351 -1.207 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 33.641 90.066 14.808 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 34.549 89.932 14.534 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 33.707 90.583 15.611 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 51.642 10.582 36.132 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 50.921 11.078 35.743 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 52.430 11.053 35.862 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 33.459 10.975 24.819 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 33.453 10.359 24.086 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 32.611 11.416 24.768 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 30.687 90.539 56.767 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 29.763 90.379 56.956 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 30.790 90.293 55.847 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 55.174 22.820 13.700 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 54.835 23.606 13.272 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 54.450 22.513 14.245 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 64.250 88.325 -15.695 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 63.393 87.900 -15.735 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 64.382 88.512 -14.766 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 27.286 76.584 55.702 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 26.355 76.478 55.899 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 27.660 76.953 56.502 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 55.513 92.419 15.678 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 55.031 92.858 16.379 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 55.583 93.077 14.986 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 89.638 78.131 4.282 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 88.812 78.224 4.757 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 89.985 79.022 4.229 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 82.386 47.765 -7.855 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 83.203 48.204 -8.089 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 81.743 48.471 -7.790 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 28.364 94.709 53.180 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 28.950 95.109 53.824 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 28.917 94.557 52.414 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 71.085 41.738 2.016 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 71.297 42.377 2.696 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 71.907 41.275 1.856 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 34.133 81.318 57.975 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 33.803 80.424 58.065 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 33.650 81.679 57.232 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 28.382 71.866 -18.690 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 28.869 72.103 -17.901 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 27.689 72.524 -18.751 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 86.683 41.870 64.220 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 87.363 42.515 64.415 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 87.137 41.183 63.733 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 43.515 60.846 63.091 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 43.441 59.894 63.156 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 42.630 61.142 62.877 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 72.393 10.769 37.498 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 72.831 10.645 38.340 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 71.913 11.591 37.597 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 33.031 1.591 64.656 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 33.184 0.903 65.304 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 33.906 1.850 64.369 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 47.966 65.225 61.579 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 47.738 64.780 60.763 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 48.886 65.005 61.723 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 71.369 89.970 -12.340 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 72.153 89.819 -12.868 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 70.851 89.173 -12.447 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 23.400 79.726 50.707 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 23.938 79.625 51.492 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 23.266 78.833 50.391 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 77.046 91.434 -7.024 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 76.911 91.566 -6.086 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 76.164 91.428 -7.395 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 81.345 64.301 67.062 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 81.623 63.793 67.824 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 81.895 63.982 66.347 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 67.732 59.263 -10.027 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 66.799 59.435 -9.900 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 68.163 60.075 -9.759 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 83.068 52.508 35.402 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 83.672 52.417 34.665 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 82.302 52.947 35.032 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 45.059 21.012 -11.298 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 44.519 21.323 -10.572 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 44.770 20.111 -11.443 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 44.800 53.276 55.276 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 43.942 53.700 55.292 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 44.846 52.796 56.103 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 40.765 77.817 66.021 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 40.158 77.341 65.454 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 41.474 77.196 66.188 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 56.325 54.721 59.282 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 55.451 54.813 58.904 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 56.632 55.620 59.400 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 88.156 34.260 28.884 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 88.054 34.055 27.955 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 88.966 33.818 29.140 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 39.983 24.713 8.027 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 40.791 25.216 8.131 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 39.326 25.213 8.512 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 88.073 17.832 3.748 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 88.183 18.015 2.815 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 87.127 17.745 3.866 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 78.256 73.354 47.379 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 77.886 74.126 46.951 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 77.789 73.296 48.213 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 85.935 0.420 -7.768 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 85.677 0.827 -6.942 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 85.173 -0.098 -8.029 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 88.276 35.953 -9.808 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 89.008 36.053 -10.416 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 88.581 36.357 -8.996 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 30.243 4.640 66.483 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 30.695 3.933 66.943 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 29.347 4.612 66.820 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 56.626 27.099 -6.163 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 55.736 26.914 -5.864 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 57.190 26.699 -5.502 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 45.215 93.971 28.996 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 45.839 94.697 29.010 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 44.466 94.289 29.499 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 69.116 44.935 57.745 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 69.906 44.864 58.280 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 69.010 45.874 57.595 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 26.240 50.030 4.541 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 26.768 50.508 5.179 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 26.668 49.177 4.466 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 50.921 93.229 36.010 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 50.767 93.288 35.067 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 51.101 92.301 36.166 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 81.439 70.330 9.379 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 81.078 70.195 8.502 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 82.326 69.973 9.331 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 20.907 71.207 23.607 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 20.063 70.820 23.373 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 21.086 70.878 24.488 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 37.079 83.761 47.759 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 36.705 83.043 48.270 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 36.721 83.641 46.879 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 20.812 70.621 50.917 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 21.225 69.795 50.665 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 21.514 71.125 51.329 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 23.119 16.287 47.356 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 22.990 17.235 47.386 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 22.593 15.996 46.612 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 89.754 28.275 19.672 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 90.493 27.691 19.837 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 89.548 28.147 18.746 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 52.533 96.043 43.414 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 52.674 96.888 43.841 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 52.591 96.234 42.478 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 64.070 70.330 63.055 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 63.245 69.953 62.752 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 64.743 69.876 62.547 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 43.434 6.311 4.052 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 42.814 5.734 4.497 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 44.255 6.195 4.530 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 30.133 12.803 54.506 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 30.741 12.709 53.774 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 30.096 13.746 54.669 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 34.232 34.381 42.950 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 33.686 35.143 42.754 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 33.986 33.733 42.290 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 27.758 13.045 52.328 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 26.851 12.742 52.378 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 28.280 12.284 52.580 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 50.968 83.782 4.912 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 51.321 83.039 4.423 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 50.071 83.524 5.125 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 74.411 27.617 -5.437 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 75.150 27.867 -4.882 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 74.056 28.448 -5.753 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 41.176 73.796 66.535 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 41.242 72.904 66.878 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 42.070 74.136 66.576 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 88.442 13.521 40.478 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 87.827 12.915 40.892 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 89.289 13.077 40.533 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 47.859 82.281 20.406 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 47.814 82.634 21.294 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 47.717 81.340 20.514 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 29.697 31.634 -18.229 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 29.590 32.076 -19.071 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 30.615 31.360 -18.217 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 52.468 73.378 62.230 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 52.139 72.808 62.925 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 53.116 72.846 61.769 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 64.103 70.563 29.845 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 63.590 70.167 30.550 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 63.563 70.449 29.063 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 75.618 75.024 -7.434 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 76.002 74.191 -7.160 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 75.213 75.374 -6.641 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 67.973 70.063 63.414 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 67.636 69.257 63.804 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 67.526 70.126 62.570 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 73.828 83.947 27.781 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 73.641 84.599 28.456 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 74.384 84.406 27.152 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 21.819 95.733 57.573 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 22.152 95.421 58.414 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 22.575 95.699 56.988 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 25.914 82.347 65.112 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 26.664 82.701 65.590 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 25.807 82.934 64.363 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 66.488 89.616 28.115 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 65.668 89.345 28.528 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 66.216 90.156 27.373 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 52.389 95.355 -9.169 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 52.418 94.733 -9.896 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 52.954 94.969 -8.500 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 36.024 80.827 43.217 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 35.583 80.352 43.922 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 36.705 80.227 42.913 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 79.877 12.778 52.016 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 79.079 13.288 52.154 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 79.986 12.756 51.065 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 27.281 73.029 -7.402 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 27.159 72.243 -6.870 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 26.418 73.445 -7.415 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 31.368 30.391 13.820 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 32.280 30.682 13.830 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 30.883 31.134 13.461 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 69.161 1.651 6.443 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 69.175 2.441 5.901 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 69.782 1.059 6.020 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 86.463 35.173 65.785 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 85.736 35.406 66.363 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 86.060 35.070 64.923 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 31.014 68.320 -15.075 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 31.851 68.633 -14.733 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 30.486 68.145 -14.296 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 71.550 70.537 64.798 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 71.408 70.140 63.938 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 70.964 70.056 65.383 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 86.971 70.537 66.765 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 86.261 71.054 67.146 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 86.527 69.877 66.232 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 87.458 61.037 15.442 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 87.339 60.088 15.403 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 87.223 61.345 14.567 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 47.731 57.804 -2.885 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 48.379 58.367 -2.463 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 47.068 57.653 -2.211 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 45.344 54.157 28.973 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 45.798 53.989 28.148 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 45.137 55.091 28.947 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 23.109 75.784 -18.615 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 22.162 75.764 -18.478 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 23.410 74.918 -18.338 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 80.333 1.556 59.898 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 80.984 1.704 60.583 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 80.571 2.169 59.203 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 88.538 47.843 -11.524 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 89.123 47.775 -10.769 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 88.609 46.993 -11.959 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 88.106 64.385 40.507 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 87.843 64.683 39.636 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 88.625 63.597 40.345 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 79.145 25.410 1.741 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 79.269 25.264 2.679 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 79.985 25.173 1.348 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 27.405 80.070 14.112 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 28.223 79.736 14.480 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 26.957 80.476 14.854 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 78.597 63.147 -11.704 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 78.646 63.478 -12.600 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 77.740 63.435 -11.388 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 76.958 73.043 57.356 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 77.369 72.674 58.137 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 76.028 72.837 57.454 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 63.342 9.699 38.378 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 62.732 10.436 38.328 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 63.420 9.391 37.475 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 20.813 75.598 -9.951 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 21.272 76.414 -9.751 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 21.443 74.910 -9.736 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 89.072 29.330 4.634 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 89.803 28.894 5.071 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 89.483 29.992 4.079 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 89.054 51.267 -19.069 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 88.110 51.341 -18.929 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 89.254 50.351 -18.878 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 46.556 34.582 -6.069 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 46.068 34.844 -5.288 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 47.449 34.888 -5.908 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 68.937 63.409 -8.503 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 68.785 63.676 -7.597 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 68.237 63.833 -8.999 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 63.322 50.965 59.281 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 63.633 51.495 60.015 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 62.981 51.602 58.653 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 46.318 48.223 -12.656 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 45.835 48.839 -13.206 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 46.631 48.751 -11.922 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 43.299 89.807 26.493 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 43.832 90.511 26.862 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 42.554 90.255 26.092 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 80.774 42.996 -11.049 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 80.441 43.879 -10.889 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 81.722 43.107 -11.124 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 26.651 82.677 -17.996 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 26.269 82.077 -17.355 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 27.354 82.174 -18.406 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 86.852 66.210 52.500 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 87.261 65.990 51.663 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 86.293 65.459 52.698 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 28.888 80.918 -18.953 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 29.836 81.050 -18.921 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 28.760 80.270 -19.646 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 70.013 59.088 -15.947 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 70.731 58.456 -15.902 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 70.015 59.390 -16.855 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 23.000 80.526 35.506 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 22.569 80.208 34.712 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 22.554 81.348 35.707 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 87.729 91.568 54.041 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 86.871 91.185 53.855 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 87.611 92.027 54.872 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 66.544 21.183 27.222 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 66.838 20.959 26.339 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 66.724 22.120 27.304 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 50.275 29.045 1.290 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 50.964 28.393 1.416 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 49.866 29.131 2.152 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 29.737 62.737 16.565 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 30.507 62.898 16.019 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 29.170 62.188 16.024 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 80.976 28.330 -1.424 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 80.028 28.453 -1.462 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 81.299 29.098 -0.952 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 74.253 59.064 -5.066 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 74.777 58.331 -5.387 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 73.370 58.889 -5.393 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 71.479 14.292 -14.752 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 71.424 15.147 -14.325 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 71.494 14.492 -15.688 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 61.252 59.745 -2.287 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 60.545 59.782 -1.643 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 60.974 60.337 -2.985 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 71.445 21.546 50.655 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 70.689 20.988 50.838 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 71.074 22.327 50.247 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 32.761 0.472 -9.654 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 32.272 1.115 -9.141 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 32.182 -0.289 -9.701 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 76.557 69.205 34.824 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 76.880 69.717 34.083 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 75.982 68.549 34.430 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 45.328 39.883 25.111 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 45.218 39.012 24.730 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 46.163 40.194 24.763 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 39.386 69.445 7.036 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 39.821 69.263 7.870 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 39.145 68.582 6.699 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 21.040 70.385 57.667 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 20.113 70.267 57.877 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 21.383 69.495 57.590 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 21.299 25.329 62.652 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 22.224 25.147 62.818 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 21.024 25.866 63.396 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 29.264 1.089 26.810 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 28.505 0.535 26.628 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 30.016 0.503 26.720 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 45.428 79.337 16.425 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 45.066 78.461 16.557 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 45.527 79.692 17.308 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 80.524 39.199 46.413 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 80.871 39.722 47.135 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 80.995 39.513 45.641 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 77.305 13.951 51.986 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 77.034 14.661 52.568 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 76.869 14.142 51.155 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 27.915 51.706 -1.854 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 26.998 51.441 -1.931 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 27.974 52.121 -0.994 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 69.008 8.478 46.986 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 69.823 8.619 46.505 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 68.341 8.384 46.306 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 38.606 39.044 28.988 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 39.319 38.869 28.374 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 39.037 39.424 29.753 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 35.840 27.224 10.384 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 35.754 26.942 11.295 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 35.560 28.139 10.388 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 87.662 8.129 -18.416 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 88.232 7.412 -18.138 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 87.327 8.499 -17.599 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 29.550 21.648 7.244 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 30.391 21.275 6.981 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 29.730 22.579 7.375 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 47.394 14.577 -6.234 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 46.534 14.957 -6.415 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 47.449 14.550 -5.279 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 59.744 1.608 38.725 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 60.183 2.453 38.622 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 59.213 1.516 37.934 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 86.136 61.601 32.736 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 86.010 62.168 33.496 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 85.285 61.181 32.607 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 68.581 1.739 19.614 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 67.806 1.542 20.139 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 68.876 2.592 19.934 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 56.398 13.493 38.670 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 55.630 13.316 39.213 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 56.048 13.928 37.893 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 36.403 51.911 33.100 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 36.328 52.266 33.985 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 37.308 51.604 33.040 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 53.771 49.765 48.498 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 53.900 50.712 48.555 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 53.694 49.590 47.560 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 83.133 81.879 31.836 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 82.818 82.464 32.525 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 82.385 81.776 31.247 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 72.409 34.416 36.845 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 71.807 33.852 36.360 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 72.381 35.253 36.380 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 25.123 41.040 27.929 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 24.773 41.373 27.103 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 24.408 40.526 28.304 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 66.518 66.039 59.969 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 67.360 66.385 60.264 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 66.350 65.293 60.545 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 72.754 58.510 -10.938 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 72.170 58.646 -10.192 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 73.475 59.122 -10.793 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 67.016 63.350 18.802 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 66.388 62.714 19.145 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 66.657 63.608 17.953 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 77.735 68.383 -14.471 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 78.464 67.769 -14.556 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 77.077 67.906 -13.966 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 65.862 23.961 47.792 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 65.326 24.748 47.887 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 66.688 24.275 47.423 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 36.072 66.912 29.284 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 36.824 67.501 29.227 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 36.069 66.446 28.448 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 84.778 65.541 -15.588 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 84.608 64.839 -14.960 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 84.978 66.304 -15.047 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 86.644 75.291 54.554 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 86.289 75.660 55.363 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 87.581 75.482 54.594 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 51.570 18.623 29.249 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 51.593 19.251 28.528 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 50.792 18.864 29.753 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 48.713 65.744 12.450 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 49.565 65.325 12.334 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 48.920 66.635 12.732 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 63.274 76.132 4.944 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 62.942 76.123 5.842 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 63.784 75.325 4.869 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 55.304 56.929 1.876 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 54.634 56.676 2.511 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 55.309 57.886 1.901 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 37.925 8.854 -7.625 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 38.366 9.201 -8.401 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 37.074 8.557 -7.945 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 24.533 84.938 43.786 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 24.453 84.463 42.959 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 25.315 85.480 43.676 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 79.365 50.747 -13.299 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 78.984 51.076 -14.113 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 78.680 50.197 -12.918 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 25.940 40.049 48.076 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 26.595 40.009 47.379 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 25.101 40.074 47.616 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 37.525 25.935 -19.631 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 36.946 26.697 -19.630 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 36.948 25.194 -19.814 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 31.443 65.505 -19.211 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 31.406 65.771 -18.293 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 32.201 65.971 -19.565 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 68.589 76.510 18.613 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 68.927 76.276 17.749 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 69.297 77.009 19.021 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 23.286 54.417 51.904 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 22.725 54.946 52.472 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 23.520 53.658 52.438 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 55.853 36.619 12.632 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 54.931 36.840 12.764 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 56.177 36.410 13.507 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 49.886 77.971 -6.273 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 50.429 78.553 -6.805 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 50.385 77.849 -5.465 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 68.483 16.968 65.043 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 68.328 17.257 64.144 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 68.564 16.016 64.978 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 30.642 87.459 59.043 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 29.806 87.322 59.490 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 30.880 88.363 59.253 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 27.690 55.044 -13.822 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 27.424 54.151 -14.044 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 28.640 54.992 -13.716 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 37.761 8.625 30.134 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 37.354 9.480 30.276 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 37.787 8.224 31.002 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 65.539 91.655 51.512 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 65.151 91.548 52.380 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 66.356 92.127 51.671 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 70.451 92.651 22.730 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 69.997 93.383 22.313 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 69.843 91.916 22.651 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 54.116 80.934 47.660 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 53.412 80.314 47.851 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 54.421 80.689 46.786 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 46.401 58.336 66.194 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 46.411 59.048 66.834 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 46.682 58.745 65.376 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 67.759 70.621 10.830 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 67.560 69.698 10.671 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 67.120 71.098 10.300 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 45.439 29.747 60.252 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 44.804 29.057 60.445 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 44.992 30.316 59.626 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 51.133 69.511 -7.552 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 50.786 68.699 -7.183 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 51.841 69.228 -8.131 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 87.162 88.626 59.514 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 87.488 87.749 59.719 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 86.209 88.543 59.555 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 75.221 95.877 62.106 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 75.487 96.742 62.417 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 76.039 95.452 61.849 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 26.075 35.839 -4.819 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 25.714 35.903 -5.703 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 26.930 36.267 -4.878 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 24.103 74.422 28.468 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 23.158 74.327 28.350 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 24.467 73.587 28.176 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 25.293 52.437 45.347 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 25.926 51.808 45.694 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 24.450 51.986 45.406 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 47.021 69.107 53.263 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 46.189 68.697 53.025 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 47.673 68.661 52.722 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 31.516 78.772 31.458 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 32.160 78.346 32.024 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 30.922 78.068 31.199 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 21.401 21.111 61.601 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 20.777 21.762 61.280 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 22.255 21.538 61.521 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 44.676 89.062 36.929 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 44.536 88.619 37.767 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 44.332 89.945 37.064 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 49.131 48.645 -18.401 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 48.292 49.029 -18.143 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 48.996 47.701 -18.324 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 46.129 88.027 22.875 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 45.392 87.787 22.314 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 46.802 88.334 22.268 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 76.489 30.635 48.582 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 77.439 30.603 48.468 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 76.139 30.615 47.692 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 51.721 89.541 -14.279 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 51.884 88.795 -13.702 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 51.026 90.033 -13.844 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 37.624 21.263 19.761 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 37.881 20.341 19.750 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 38.440 21.741 19.613 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 70.640 85.044 22.575 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 71.174 84.356 22.972 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 71.275 85.648 22.190 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 85.580 42.700 59.417 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 86.355 42.300 59.024 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 85.339 42.108 60.130 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 38.417 64.022 51.449 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 38.900 64.057 50.623 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 37.497 64.086 51.192 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 56.914 70.873 64.413 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 56.761 71.075 65.336 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 56.040 70.839 64.026 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 59.010 7.543 37.963 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 59.132 6.625 38.205 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 58.796 7.519 37.031 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 57.536 86.774 19.728 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 57.322 87.689 19.912 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 57.594 86.363 20.591 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 69.298 85.274 12.522 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 69.284 85.741 11.687 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 68.965 84.401 12.314 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 22.626 88.739 16.875 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 22.442 88.828 15.940 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 21.778 88.870 17.300 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 30.827 93.631 15.093 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 31.564 93.241 15.563 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 30.615 94.420 15.592 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 72.707 68.174 3.723 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 72.496 67.467 3.113 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 71.862 68.437 4.088 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 59.717 73.647 38.602 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 59.500 72.865 39.110 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 59.136 73.607 37.842 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 40.514 93.933 46.818 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 40.614 93.251 47.483 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 41.384 94.325 46.744 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 87.700 35.777 23.580 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 88.440 35.203 23.778 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 87.787 36.503 24.197 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 34.182 65.894 66.898 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 34.122 65.932 65.944 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 34.645 65.076 67.077 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 30.402 2.599 4.647 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 29.520 2.970 4.632 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 30.284 1.689 4.373 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 49.503 6.071 22.154 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 48.570 5.891 22.036 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 49.784 6.441 21.317 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 80.764 64.583 12.097 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 80.762 63.668 11.818 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 79.841 64.834 12.106 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 51.351 77.844 17.107 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 50.782 78.261 16.459 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 51.809 78.572 17.527 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 70.187 53.609 65.271 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 70.818 54.319 65.388 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 69.584 53.931 64.601 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 37.560 45.107 37.469 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 37.212 45.286 36.595 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 38.458 44.814 37.313 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 79.646 90.284 28.941 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 79.329 90.920 29.583 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 79.987 90.817 28.223 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 84.376 31.161 18.101 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 85.064 31.396 18.723 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 83.577 31.536 18.472 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 34.864 86.769 15.753 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 34.703 86.394 16.619 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 35.704 87.220 15.839 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 31.834 5.093 -11.945 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 31.012 4.615 -11.836 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 32.403 4.488 -12.421 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 70.111 74.292 -7.291 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 70.807 73.685 -7.039 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 69.481 74.246 -6.572 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 61.207 34.647 -0.076 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 61.548 35.516 -0.291 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 60.315 34.646 -0.424 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 57.114 27.238 53.276 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 56.432 26.773 52.792 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 57.412 27.921 52.675 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 40.702 8.929 3.165 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 41.558 8.641 3.482 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 40.146 8.934 3.944 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 54.824 12.609 41.369 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 54.659 12.528 42.309 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 54.619 13.522 41.167 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 65.409 71.314 53.453 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 65.478 70.375 53.279 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 64.876 71.652 52.733 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 23.802 75.255 10.301 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 23.772 75.625 11.184 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 24.734 75.123 10.128 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 53.864 34.953 2.407 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 54.220 34.797 3.282 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 53.388 35.780 2.486 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 22.147 79.981 12.840 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 22.383 79.187 12.360 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 22.233 79.739 13.762 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 41.408 63.086 52.826 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 41.363 63.274 53.764 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 42.343 62.986 52.647 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 28.215 71.876 16.029 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 29.137 71.678 15.864 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 28.069 71.599 16.933 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 77.538 60.044 60.603 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 77.018 60.065 59.800 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 77.086 59.415 61.166 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 47.179 54.609 58.228 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 47.059 55.533 58.010 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 47.662 54.249 57.484 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 42.429 69.604 64.555 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 41.835 69.828 65.272 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 42.393 70.360 63.968 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 21.242 66.163 48.471 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 20.428 65.765 48.161 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 21.923 65.777 47.922 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 42.117 48.028 15.389 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 43.019 47.708 15.354 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 42.151 48.775 15.986 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 26.104 66.299 12.894 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 26.094 65.405 12.554 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 26.969 66.636 12.657 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 87.393 22.021 11.751 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 87.380 21.241 12.306 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 87.520 21.683 10.865 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 72.368 85.114 -12.369 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 71.843 85.771 -12.826 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 71.733 84.610 -11.861 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 82.992 82.267 46.473 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 82.824 82.438 45.546 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 82.287 82.724 46.933 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 31.907 62.437 3.260 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 32.368 62.859 3.985 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 32.145 61.513 3.331 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 24.990 53.504 37.930 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 25.614 53.922 37.336 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 24.621 52.782 37.421 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 79.480 8.532 46.323 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 78.928 8.708 47.085 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 79.201 9.173 45.670 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 78.832 87.692 -1.464 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 79.138 87.640 -2.370 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 79.550 87.325 -0.948 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 31.791 40.313 16.679 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 32.746 40.267 16.716 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 31.518 40.374 17.595 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 71.912 82.580 37.259 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 71.248 81.989 36.904 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 71.452 83.079 37.934 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 23.588 62.737 6.142 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 23.434 63.230 6.947 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 23.869 63.395 5.506 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 34.169 39.188 31.832 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 34.013 39.561 32.700 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 34.078 39.929 31.233 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 72.579 91.745 47.168 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 72.111 91.750 48.003 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 71.980 91.314 46.559 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 49.035 3.534 -5.603 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 49.645 3.873 -6.257 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 49.522 2.841 -5.157 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 57.267 90.352 55.401 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 56.324 90.505 55.339 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 57.612 90.629 54.552 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 65.621 94.969 50.417 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 66.204 94.313 50.799 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 65.507 94.690 49.509 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 27.648 37.106 42.526 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 27.369 37.842 43.070 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 27.235 37.264 41.677 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 55.461 31.252 -9.207 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 56.084 31.947 -9.421 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 55.386 31.282 -8.253 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 23.977 74.690 24.570 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 24.843 74.814 24.958 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 23.862 75.445 23.993 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 36.515 76.436 27.437 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 37.416 76.137 27.559 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 36.554 77.382 27.581 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 67.150 27.213 23.560 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 67.420 26.529 22.948 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 66.197 27.131 23.606 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 51.099 32.944 65.045 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 51.861 32.723 65.580 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 51.459 33.434 64.306 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 88.546 9.844 -20.185 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 88.916 10.592 -19.714 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 88.193 9.279 -19.498 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 77.210 92.897 59.003 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 77.757 93.505 58.504 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 76.506 93.442 59.354 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 59.822 11.083 63.828 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 58.880 11.137 63.989 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 60.215 11.085 64.701 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 24.783 35.596 34.703 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 24.893 35.182 33.847 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 23.914 35.320 34.993 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 82.704 79.629 -5.321 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 82.182 80.028 -6.017 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 82.332 79.979 -4.511 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 70.682 82.816 57.978 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 70.203 82.548 58.762 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 70.415 82.188 57.307 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 73.424 91.274 9.157 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 72.922 91.075 8.367 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 74.250 91.634 8.832 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 55.061 77.036 27.831 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 55.099 76.979 26.877 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 54.804 76.158 28.114 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 47.333 11.344 30.273 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 46.990 11.639 29.429 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 48.278 11.271 30.135 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 82.203 88.301 -15.290 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 82.962 88.078 -14.751 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 82.562 88.429 -16.168 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 55.602 96.437 59.958 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 56.410 96.636 60.432 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 55.866 95.807 59.288 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 24.179 53.857 34.497 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 23.432 54.431 34.667 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 23.813 53.131 33.992 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 57.116 76.067 -15.296 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 57.815 76.047 -14.642 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 56.457 75.459 -14.961 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 23.085 52.513 58.875 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 23.379 52.444 57.967 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 22.878 53.441 58.990 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 25.063 47.542 27.517 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 24.136 47.774 27.570 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 25.243 47.486 26.578 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 69.899 30.243 -5.326 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 69.265 29.543 -5.480 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 70.677 29.794 -4.996 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 40.959 74.188 -8.534 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 40.345 73.476 -8.714 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 40.864 74.356 -7.597 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 86.338 51.416 48.549 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 85.499 51.419 48.088 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 86.124 51.126 49.435 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 22.886 60.924 62.003 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 22.676 61.343 62.838 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 22.265 61.303 61.381 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 24.024 67.076 33.411 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 23.253 67.072 32.843 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 23.736 66.632 34.209 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 22.595 40.369 -10.247 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 22.607 40.637 -9.328 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 21.823 39.809 -10.324 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 79.453 87.689 -4.399 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 79.343 86.985 -5.038 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 80.396 87.723 -4.239 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 26.721 69.291 21.143 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 27.342 70.013 21.240 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 26.016 69.497 21.756 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 20.302 40.855 53.875 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 19.611 41.475 54.108 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 21.103 41.379 53.871 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 69.149 81.225 64.832 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 69.895 80.880 64.341 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 68.608 80.457 65.017 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 47.591 79.365 6.221 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 48.321 79.475 6.830 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 47.223 78.509 6.441 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 76.744 37.834 34.595 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 76.263 38.652 34.467 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 77.648 38.049 34.367 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 50.643 20.966 -7.500 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 50.399 20.492 -6.705 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 50.349 20.402 -8.216 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 46.115 92.642 -6.544 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 46.813 91.991 -6.610 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 45.372 92.245 -6.999 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 75.669 70.226 31.693 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 75.311 69.479 31.214 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 76.045 70.788 31.014 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 23.398 81.561 66.366 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 24.260 81.718 65.982 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 23.473 80.701 66.780 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 50.498 92.351 -13.513 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 50.538 93.302 -13.414 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 51.180 92.148 -14.153 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 62.211 75.953 23.350 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 61.509 75.884 23.996 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 61.778 76.265 22.556 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 63.910 48.860 56.670 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 63.331 48.283 56.171 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 63.328 49.529 57.030 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 52.579 39.713 55.972 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 52.743 38.783 55.815 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 52.471 39.781 56.920 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 48.111 74.582 -16.274 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 48.611 75.035 -15.595 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 48.362 75.019 -17.088 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 59.457 2.707 11.992 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 60.184 2.179 12.321 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 58.973 2.964 12.776 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 61.411 79.847 26.887 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 61.735 80.041 26.007 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 61.779 78.989 27.094 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 83.401 94.466 59.069 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 83.384 95.164 59.724 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 83.726 94.890 58.275 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 35.980 76.185 62.339 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 35.443 76.511 61.617 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 36.847 76.560 62.182 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 60.000 30.161 -18.493 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 60.126 30.739 -19.245 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 60.869 30.087 -18.099 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 64.452 67.065 51.045 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 63.633 66.652 51.318 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 64.206 67.619 50.304 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 44.821 40.106 35.456 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 45.353 39.643 36.103 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 45.416 40.261 34.722 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 65.287 58.177 63.689 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 65.263 58.169 62.732 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 64.456 58.577 63.946 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 57.545 11.339 -18.219 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 58.233 10.692 -18.373 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 57.227 11.566 -19.093 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 48.069 0.721 12.829 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 48.796 0.994 13.389 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 47.517 1.500 12.756 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 28.598 78.267 62.647 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 28.455 78.536 63.555 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 29.349 77.675 62.688 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 46.935 90.788 -15.480 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 47.269 91.325 -16.198 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 47.165 91.274 -14.689 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 45.306 75.665 -18.443 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 45.835 74.871 -18.519 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 45.888 76.370 -18.726 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 73.247 76.576 44.198 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 73.950 77.074 43.780 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 73.197 75.764 43.695 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 77.143 19.718 58.839 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 77.669 20.501 59.000 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 76.516 19.984 58.166 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 81.855 45.972 -1.949 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 80.921 45.897 -2.145 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 82.276 46.040 -2.806 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 51.139 81.066 53.162 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 50.330 81.361 52.743 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 51.739 80.900 52.435 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 80.619 66.604 -7.605 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 81.005 65.730 -7.560 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 79.813 66.537 -7.092 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 82.704 62.735 44.939 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 83.148 62.459 44.137 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 82.220 63.521 44.688 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 45.267 87.853 39.725 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 45.677 87.370 40.442 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 45.369 88.774 39.966 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 55.188 5.449 53.371 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 55.357 4.724 53.972 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 55.985 5.514 52.844 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 68.951 52.140 0.037 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 68.977 51.738 0.906 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 69.134 53.066 0.196 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 80.156 38.446 -7.865 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 80.907 38.355 -7.279 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 79.713 39.240 -7.566 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 87.147 11.428 -10.174 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 87.981 11.109 -9.832 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 86.696 10.641 -10.480 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 72.077 81.332 -19.072 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 72.610 81.301 -18.277 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 72.713 81.336 -19.787 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 27.408 51.035 -11.126 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 28.161 50.806 -10.581 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 27.055 51.830 -10.726 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 28.013 65.623 -2.149 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 27.142 65.225 -2.164 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 27.952 66.355 -2.762 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 60.389 86.396 20.591 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 60.023 86.916 21.306 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 59.625 86.087 20.103 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 26.453 78.454 -17.450 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 26.640 79.225 -16.915 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 25.535 78.554 -17.703 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 81.855 43.860 -17.441 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 81.598 43.948 -18.359 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 82.810 43.799 -17.465 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 71.844 85.796 13.939 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 71.610 85.646 13.023 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 71.056 85.563 14.430 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 78.490 6.411 -5.230 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 77.891 7.154 -5.159 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 79.264 6.678 -4.733 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 50.966 15.898 11.181 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 51.675 16.503 10.963 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 51.398 15.052 11.294 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 26.895 87.509 -16.011 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 26.416 88.013 -16.669 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 26.350 87.559 -15.226 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 41.173 9.385 11.282 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 41.442 9.023 10.438 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 41.268 8.658 11.896 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 36.044 76.361 -5.008 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 36.645 76.047 -5.684 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 35.781 75.571 -4.536 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 31.650 96.682 58.425 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 31.574 96.545 57.480 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 31.499 95.818 58.806 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 30.782 86.558 43.199 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 29.979 86.292 42.751 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 31.485 86.308 42.599 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 31.618 66.086 13.894 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 32.554 66.031 13.702 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 31.544 65.811 14.808 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 89.775 14.189 -14.227 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 89.224 13.730 -13.593 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 90.240 14.847 -13.709 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 29.825 56.073 62.456 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 29.064 56.419 61.988 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 29.482 55.809 63.310 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 53.218 59.528 12.599 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 53.042 58.922 13.319 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 53.857 60.145 12.956 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 77.082 76.437 -0.147 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 77.212 75.816 0.570 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 77.697 77.148 0.038 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 68.633 65.621 34.527 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 67.887 65.298 34.021 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 68.319 66.433 34.925 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 63.096 52.047 8.197 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 62.197 52.016 7.870 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 63.058 52.635 8.951 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 57.755 70.066 55.591 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 57.386 69.424 54.985 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 57.650 69.669 56.455 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 72.007 92.499 4.640 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 71.372 93.208 4.533 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 71.972 92.286 5.572 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 65.889 9.492 39.397 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 65.009 9.855 39.297 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 65.953 8.825 38.713 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 28.633 70.671 -0.027 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 28.717 70.602 0.924 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 29.291 71.319 -0.279 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 24.229 31.263 -13.724 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 24.698 32.097 -13.754 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 24.917 30.599 -13.773 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 41.498 49.022 0.084 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 41.358 48.197 0.549 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 41.544 49.683 0.775 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 37.106 57.418 17.180 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 37.064 56.531 17.535 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 38.042 57.597 17.090 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 81.404 44.813 14.955 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 81.639 45.601 14.466 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 80.473 44.921 15.152 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 80.856 39.989 57.544 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 80.944 40.572 58.298 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 79.913 39.949 57.381 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 41.307 8.751 -2.347 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 40.958 9.301 -3.048 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 40.621 8.104 -2.185 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 62.796 32.418 47.268 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 62.188 31.702 47.453 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 62.373 33.193 47.637 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 33.006 14.131 10.499 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 33.494 14.656 9.864 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 33.550 14.141 11.286 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 61.757 5.605 -9.662 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 61.643 5.507 -8.717 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 61.817 4.709 -9.992 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 69.495 73.873 21.572 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 68.562 73.738 21.734 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 69.730 73.192 20.941 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 73.647 21.072 13.256 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 72.855 21.302 13.743 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 74.363 21.438 13.775 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 21.916 29.107 1.510 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 22.562 29.043 0.806 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 22.430 29.029 2.314 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 62.961 60.579 19.009 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 62.143 60.985 19.296 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 62.761 59.644 18.964 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 42.188 57.551 4.550 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 42.860 57.748 5.203 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 41.828 56.707 4.822 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 41.786 86.455 -11.038 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 41.418 85.638 -11.373 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 41.658 86.405 -10.090 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 46.150 2.296 10.220 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 45.721 2.395 11.070 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 46.107 1.357 10.038 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 24.448 73.999 49.786 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 24.659 73.240 49.241 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 23.491 74.018 49.809 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 69.340 56.982 -13.154 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 69.051 56.950 -12.242 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 70.253 56.694 -13.126 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 37.523 74.817 55.550 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 38.221 75.108 54.964 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 36.755 74.732 54.984 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 59.754 80.989 7.316 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 58.989 80.624 7.761 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 60.451 80.354 7.477 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 79.770 76.374 13.844 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 80.120 76.223 12.965 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 80.544 76.419 14.405 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 64.154 73.612 5.045 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 64.785 73.539 5.761 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 63.392 73.117 5.345 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 82.416 89.657 19.473 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 82.558 88.718 19.592 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 82.670 90.047 20.309 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 52.762 19.542 65.356 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 51.807 19.485 65.398 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 52.994 19.092 64.544 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 54.764 81.443 10.030 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 54.661 80.491 10.043 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 55.168 81.652 10.873 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 25.814 26.048 15.494 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 26.492 25.935 16.160 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 25.890 25.271 14.941 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 80.792 65.136 -2.483 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 81.445 65.232 -3.176 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 80.305 64.347 -2.719 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 55.468 8.857 7.411 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 55.357 9.740 7.762 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 54.583 8.579 7.175 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 84.379 60.648 35.714 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 83.695 60.409 35.088 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 84.879 61.335 35.273 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 25.036 81.519 -2.131 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 25.883 81.339 -2.539 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 24.447 80.860 -2.499 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 62.733 12.059 -14.444 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 62.797 12.950 -14.789 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 63.635 11.820 -14.230 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 53.179 72.007 -9.452 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 52.568 71.495 -9.983 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 52.642 72.361 -8.743 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 59.183 3.811 47.220 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 58.415 4.014 47.754 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 59.550 3.021 47.617 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 64.194 46.940 5.259 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 63.709 46.134 5.438 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 63.720 47.618 5.740 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 60.160 24.651 63.767 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 60.465 24.943 62.908 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 59.471 25.273 64.002 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 44.073 41.099 5.358 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 43.971 40.563 6.144 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 43.217 41.509 5.234 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 47.135 93.327 40.858 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 47.370 92.638 40.236 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 47.931 93.849 40.951 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 85.609 79.382 34.687 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 84.717 79.445 34.346 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 85.878 78.485 34.489 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 25.281 83.450 56.018 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 25.678 82.788 55.452 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 24.362 83.190 56.085 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 66.740 20.546 63.595 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 67.055 19.853 63.014 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 67.429 20.638 64.253 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 65.053 44.271 46.139 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 64.722 43.373 46.177 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 64.277 44.806 45.972 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 21.863 59.511 59.114 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 22.094 58.847 58.465 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 22.499 60.213 58.975 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 59.906 78.546 42.168 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 60.495 79.295 42.257 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 59.426 78.518 42.996 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 40.684 18.448 -6.779 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 41.297 19.124 -7.067 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 40.193 18.857 -6.066 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 86.812 61.551 21.720 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 86.990 60.818 21.130 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 86.745 61.151 22.586 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 50.886 43.597 0.229 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 50.533 44.375 0.662 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 51.594 43.304 0.802 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 70.614 73.942 17.384 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 70.756 73.021 17.602 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 70.097 74.285 18.113 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 25.696 89.420 -8.201 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 25.252 89.531 -9.042 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 26.280 88.673 -8.335 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 53.474 82.734 63.571 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 54.032 82.259 64.186 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 52.996 83.360 64.114 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 42.740 46.510 9.630 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 42.941 45.602 9.855 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 43.325 47.030 10.182 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 88.073 8.923 -11.719 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 88.625 9.653 -12.001 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 88.657 8.365 -11.205 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 56.399 45.727 62.959 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 56.654 46.456 63.524 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 57.054 45.723 62.261 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 52.177 63.561 -6.845 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 52.635 64.141 -6.237 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 51.249 63.728 -6.683 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 81.287 69.599 18.497 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 81.063 70.050 17.683 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 81.006 68.695 18.356 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 51.904 29.176 38.015 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 51.628 28.588 37.312 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 52.295 28.598 38.671 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 58.873 54.448 24.409 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 58.544 54.483 23.511 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 58.170 54.826 24.937 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 52.470 70.891 50.423 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 51.834 71.546 50.712 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 51.939 70.140 50.160 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 68.019 57.308 59.866 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 67.587 58.087 60.216 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 68.136 57.497 58.935 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 48.313 90.710 -6.985 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 48.409 90.037 -7.659 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 49.128 91.210 -7.027 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 31.143 6.157 46.413 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 30.823 6.278 45.519 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 31.590 6.977 46.621 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 39.721 90.656 31.375 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 39.025 90.437 30.755 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 40.244 89.857 31.440 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 70.625 65.545 37.277 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 69.753 65.786 36.965 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 71.043 65.129 36.523 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 57.910 7.912 30.950 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 57.868 6.986 31.189 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 58.750 8.005 30.500 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 71.380 79.072 42.841 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 70.918 78.295 42.527 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 70.937 79.302 43.657 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 55.561 4.427 66.094 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 56.213 4.589 66.776 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 55.139 3.608 66.355 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 47.505 15.396 6.749 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 47.043 14.622 6.426 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 47.125 16.124 6.258 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 56.540 77.254 -17.811 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 55.605 77.409 -17.944 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 56.596 76.858 -16.942 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 24.897 57.178 45.081 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 25.580 57.018 44.430 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 25.113 56.590 45.805 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 38.030 82.633 21.613 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 37.896 82.269 20.738 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 38.827 83.157 21.535 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 22.283 13.132 43.003 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 21.697 13.286 42.262 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 23.117 12.885 42.602 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 40.716 93.973 13.795 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 39.877 94.254 14.161 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 40.479 93.400 13.066 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 68.453 68.152 37.142 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 69.255 68.081 36.624 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 68.397 67.321 37.613 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 36.357 4.917 50.090 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 35.417 5.082 50.017 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 36.559 5.084 51.010 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 39.046 96.118 12.221 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 39.556 96.124 11.411 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 39.169 96.993 12.588 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 68.003 1.654 61.891 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 68.710 2.249 61.643 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 68.001 0.986 61.205 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 54.585 78.080 -4.962 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 55.338 77.491 -5.002 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 54.037 77.821 -5.703 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 46.780 87.171 36.302 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 46.208 86.440 36.069 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 46.217 87.944 36.249 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 36.628 62.722 49.031 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 36.758 63.631 48.760 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 36.766 62.212 48.233 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 35.359 14.933 31.696 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 35.460 15.817 32.050 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 35.475 15.038 30.752 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 51.023 34.525 -7.617 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 50.893 33.906 -8.335 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 51.167 33.974 -6.848 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 87.833 70.678 42.870 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 87.736 69.727 42.814 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 88.305 70.918 42.073 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 83.557 13.309 37.431 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 83.670 14.109 36.918 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 82.994 12.755 36.891 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 39.512 71.658 23.524 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 40.390 71.827 23.183 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 39.449 70.704 23.563 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 72.959 74.103 47.665 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 73.535 73.615 47.077 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 72.924 74.983 47.290 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 42.922 5.211 -14.789 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 43.714 4.992 -15.280 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 42.361 5.655 -15.424 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 30.156 1.660 9.502 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 29.467 1.382 8.898 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 30.808 2.083 8.943 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 78.243 78.401 23.033 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 78.269 77.446 23.079 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 77.675 78.661 23.758 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 54.198 58.664 9.724 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 53.953 58.969 10.598 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 54.726 57.881 9.881 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 21.590 20.010 10.428 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 22.310 20.386 10.934 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 21.634 19.071 10.610 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 27.287 85.284 -11.250 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 26.563 85.272 -10.624 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 27.345 86.197 -11.532 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 41.338 1.222 17.686 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 40.485 1.451 18.054 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 41.164 0.460 17.133 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 71.947 17.403 57.096 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 71.776 16.883 56.311 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 71.200 17.998 57.156 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 20.341 77.314 -12.128 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 21.266 77.277 -12.372 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 20.120 76.414 -11.888 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 88.629 58.680 3.401 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 87.871 58.166 3.125 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 89.370 58.279 2.947 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 47.454 32.318 -7.655 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 46.951 32.900 -7.086 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 47.114 31.443 -7.464 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 24.601 74.945 1.936 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 25.161 74.725 1.191 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 24.899 74.367 2.638 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 66.210 81.698 4.237 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 65.918 80.786 4.222 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 66.472 81.851 5.145 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 50.286 83.891 60.018 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 49.749 84.674 60.137 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 50.545 83.641 60.905 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 81.852 14.689 3.428 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 82.564 15.032 2.887 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 81.919 13.738 3.337 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 46.329 58.864 47.215 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 46.836 59.674 47.167 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 46.352 58.512 46.325 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 88.119 77.422 57.562 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 87.347 77.884 57.888 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 87.912 77.222 56.649 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 24.177 5.776 61.352 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 24.462 5.837 60.440 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 24.776 6.350 61.829 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 59.914 15.347 -13.242 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 60.520 15.301 -13.981 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 60.155 16.151 -12.783 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 42.493 82.908 32.567 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 41.728 83.483 32.595 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 42.943 83.146 31.757 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 79.953 11.177 44.201 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 79.878 11.686 45.008 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 80.895 11.055 44.080 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 83.869 57.663 33.655 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 83.516 58.451 34.067 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 83.864 57.860 32.718 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 84.567 39.189 8.226 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 83.960 39.285 8.961 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 85.019 38.362 8.395 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 49.854 12.222 -3.695 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 49.725 11.325 -3.386 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 50.043 12.724 -2.902 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 77.162 86.647 -11.893 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 77.832 86.357 -11.273 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 77.617 87.266 -12.464 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 39.048 0.380 49.813 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 38.285 0.835 50.169 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 38.955 0.463 48.864 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 86.781 4.064 -12.136 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 86.710 4.777 -11.502 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 86.604 3.272 -11.628 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 30.494 84.344 6.946 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 30.315 84.002 7.822 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 30.295 83.615 6.359 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 34.446 70.769 -17.787 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 34.928 69.943 -17.825 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 33.525 70.511 -17.809 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 45.474 69.716 33.240 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 45.852 68.839 33.295 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 46.219 70.306 33.355 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 61.970 9.121 10.343 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 61.309 8.685 9.805 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 61.741 10.050 10.299 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 43.602 14.862 11.210 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 44.109 15.324 11.877 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 43.610 13.948 11.492 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 64.107 73.110 51.918 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 63.287 73.442 51.554 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 64.376 73.777 52.550 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 40.917 78.039 55.467 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 41.401 78.391 54.721 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 40.591 78.812 55.928 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 36.897 89.841 -15.583 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 37.827 89.614 -15.586 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 36.598 89.642 -16.470 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 55.921 70.893 59.207 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 55.979 70.609 58.295 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 55.113 71.405 59.249 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 78.191 69.289 10.087 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 78.254 69.034 9.167 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 79.005 68.973 10.480 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 40.350 85.075 28.389 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 41.295 85.044 28.540 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 40.184 84.373 27.760 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 71.661 21.906 14.724 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 70.940 21.608 14.169 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 71.366 21.727 15.617 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 30.334 80.362 54.815 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 30.828 81.064 55.238 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 29.474 80.746 54.641 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 51.152 87.186 -3.430 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 50.641 86.928 -4.198 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 51.383 86.359 -3.007 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 22.110 82.803 36.505 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 21.878 82.564 37.403 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 21.403 83.382 36.220 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 63.086 23.501 -3.834 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 63.205 23.276 -2.911 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 63.255 24.442 -3.876 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 73.584 0.663 33.756 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 73.082 0.788 34.562 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 73.707 1.547 33.410 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 61.097 52.438 52.159 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 61.749 52.777 51.545 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 60.990 51.520 51.913 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 34.426 50.185 10.297 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 34.748 51.076 10.435 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 34.163 50.164 9.377 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 38.371 73.822 34.231 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 38.670 73.182 33.586 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 39.150 74.023 34.749 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 79.337 95.645 41.038 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 79.154 96.526 40.713 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 79.693 95.179 40.282 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 39.269 85.858 4.592 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 38.776 85.408 5.277 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 39.122 85.333 3.805 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 49.100 69.183 66.919 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 48.374 69.388 67.508 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 49.879 69.486 67.384 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 81.190 75.823 32.165 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 81.300 76.030 33.094 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 81.691 76.499 31.708 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 78.867 81.619 20.187 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 78.163 81.101 20.578 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 79.524 81.692 20.879 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 44.274 33.311 64.137 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 43.555 32.900 64.617 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 45.065 32.998 64.577 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 56.224 86.577 5.759 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 56.549 85.883 6.332 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 55.303 86.676 6.001 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 79.319 62.834 -2.956 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 78.381 62.932 -3.120 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 79.539 61.978 -3.324 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 28.149 50.438 46.323 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 28.985 50.901 46.386 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 28.022 50.301 45.384 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 64.829 90.376 -10.874 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 64.315 90.330 -10.067 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 64.290 89.930 -11.527 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 84.380 72.352 26.287 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 85.131 71.770 26.166 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 83.701 71.793 26.665 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 22.794 2.207 -5.115 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 23.417 1.855 -4.479 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 22.510 3.039 -4.736 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 41.691 34.035 48.573 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 41.308 33.610 47.806 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 42.219 34.748 48.214 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 70.351 48.138 -0.501 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 69.632 48.641 -0.884 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 70.120 48.057 0.425 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 35.979 49.867 28.314 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 36.198 50.210 27.447 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 36.801 49.500 28.640 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 80.139 52.813 44.448 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 79.613 53.610 44.512 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 80.276 52.692 43.508 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 21.706 56.096 66.583 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 20.755 55.987 66.583 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 21.840 57.037 66.701 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 47.533 76.962 -7.268 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 48.334 77.359 -6.925 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 47.029 76.727 -6.489 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 55.378 6.538 16.220 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 54.688 6.712 16.861 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 54.914 6.202 15.453 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 69.347 64.183 -19.664 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 68.938 65.047 -19.632 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 68.857 63.711 -20.338 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 46.837 71.121 -8.346 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 46.964 71.745 -9.061 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 47.500 71.361 -7.698 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 42.472 83.065 38.822 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 43.425 83.046 38.914 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 42.206 82.148 38.879 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 55.763 67.111 11.596 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 55.807 66.408 10.947 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 55.952 66.680 12.430 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 38.873 93.927 27.599 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 39.218 94.819 27.640 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 39.503 93.403 28.094 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 82.574 82.256 62.177 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 81.854 81.746 61.806 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 82.472 82.162 63.124 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 32.429 86.722 2.740 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 32.339 86.344 3.614 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 33.306 86.464 2.456 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 35.330 37.941 60.572 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 36.266 38.135 60.515 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 34.908 38.800 60.597 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 39.275 2.785 65.658 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 39.682 3.322 64.977 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 38.889 3.416 66.264 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 67.748 96.006 6.836 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 68.097 96.847 7.129 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 67.796 95.444 7.609 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 37.184 31.068 -18.387 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 37.669 31.565 -17.729 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 36.925 31.720 -19.038 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 21.717 18.270 33.786 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 21.048 17.817 33.273 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 22.238 18.743 33.136 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 34.402 48.302 17.126 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 35.192 48.154 16.607 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 33.903 48.947 16.625 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 25.940 77.885 66.527 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 26.416 78.483 65.951 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 26.435 77.897 67.346 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 44.040 74.945 57.968 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 44.555 75.094 57.175 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 43.142 75.158 57.715 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 34.324 0.586 51.207 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 35.259 0.383 51.169 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 34.290 1.528 51.376 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 36.095 55.357 62.615 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 36.563 55.548 63.428 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 35.652 54.525 62.783 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 46.810 64.032 65.716 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 47.320 64.831 65.582 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 46.420 63.850 64.860 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 62.787 92.992 56.550 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 62.568 93.867 56.869 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 61.954 92.633 56.243 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 75.784 48.643 2.597 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 75.223 47.916 2.867 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 75.575 49.347 3.211 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 60.099 12.347 6.115 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 60.479 12.307 6.993 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 59.456 13.054 6.165 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 40.249 38.833 -8.721 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 39.937 39.213 -7.900 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 39.965 39.451 -9.395 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 52.429 86.641 16.432 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 53.334 86.813 16.690 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 52.491 86.332 15.528 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 34.628 8.915 37.309 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 35.561 9.097 37.198 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 34.385 9.381 38.109 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 84.474 70.806 8.963 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 85.174 71.176 9.501 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 84.611 69.859 9.008 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 63.018 94.003 24.386 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 63.822 94.085 24.900 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 62.317 94.002 25.037 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 50.285 95.464 -13.261 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 50.389 95.930 -12.431 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 50.519 96.108 -13.929 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 62.807 86.947 40.794 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 62.753 86.386 41.568 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 63.518 87.558 40.990 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 67.954 76.046 52.115 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 67.474 76.675 51.577 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 68.787 75.927 51.658 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 43.991 76.086 27.706 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 44.156 75.573 26.914 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 44.491 75.641 28.389 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 43.171 67.188 0.625 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 43.614 67.187 1.473 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 43.802 66.793 0.024 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 82.139 73.270 65.565 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 81.390 73.075 65.002 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 81.787 73.234 66.454 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 89.354 70.159 30.666 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 89.232 70.959 30.154 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 88.550 69.658 30.523 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 72.872 94.054 -7.949 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 73.059 94.856 -8.438 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 72.172 94.299 -7.344 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 58.861 69.622 29.186 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 58.995 68.783 28.745 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 58.108 69.475 29.759 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 32.349 10.224 50.857 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 32.870 9.517 50.476 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 32.933 10.634 51.495 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 39.967 10.243 -18.668 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 40.600 10.916 -18.920 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 39.655 9.884 -19.498 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 83.561 81.716 54.701 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 83.879 82.554 55.035 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 82.762 81.936 54.222 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 80.601 72.760 48.767 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 79.649 72.761 48.670 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 80.773 72.104 49.442 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 82.211 90.967 21.861 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 82.118 91.919 21.831 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 81.322 90.643 22.004 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 53.038 64.869 13.966 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 53.539 65.197 13.219 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 53.323 63.960 14.066 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 75.164 32.343 -14.746 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 75.613 33.103 -15.116 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 74.277 32.654 -14.564 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 54.349 71.436 3.622 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 54.469 71.242 4.552 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 55.145 71.110 3.204 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 20.402 13.274 -6.079 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 20.286 13.220 -7.028 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 20.083 14.146 -5.848 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 52.216 56.961 -6.072 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 52.778 56.203 -6.230 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 52.647 57.436 -5.362 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 25.298 52.267 -2.952 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 24.536 52.199 -3.527 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 25.979 52.657 -3.499 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 46.256 83.043 30.694 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 46.731 82.233 30.879 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 46.933 83.662 30.421 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 72.963 74.853 -8.780 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 72.822 74.175 -8.118 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 73.864 75.144 -8.636 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 41.484 9.585 28.480 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 42.120 9.382 27.794 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 41.077 10.403 28.195 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 62.630 50.330 11.086 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 61.802 50.804 11.016 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 62.463 49.652 11.741 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 80.262 32.203 7.570 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 80.071 33.141 7.548 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 79.479 31.807 7.953 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 51.298 96.221 -6.554 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 51.154 96.127 -7.496 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 50.419 96.234 -6.176 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 34.464 64.558 41.909 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 35.127 65.212 41.688 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 34.933 63.724 41.884 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 77.086 62.506 10.052 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 76.326 63.033 9.808 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 77.820 62.917 9.596 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 59.261 24.752 2.554 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 59.281 25.262 3.364 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 58.409 24.316 2.566 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 44.427 73.559 65.979 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 44.866 72.957 66.580 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 45.033 73.648 65.244 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 81.631 18.454 64.698 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 81.430 17.697 64.148 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 81.855 19.149 64.079 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 79.720 45.199 22.233 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 80.546 45.162 22.715 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 79.101 45.594 22.847 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 76.463 62.419 51.523 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 76.120 61.704 52.059 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 75.962 63.187 51.798 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 31.641 45.145 26.017 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 32.538 45.115 25.685 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 31.369 46.054 25.890 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 40.015 72.074 63.999 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 40.032 71.739 64.896 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 39.171 71.787 63.652 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 57.868 89.131 6.023 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 58.179 89.007 5.126 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 57.250 88.414 6.164 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 59.860 70.897 48.024 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 60.553 71.054 48.666 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 60.309 70.496 47.280 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 55.158 11.078 58.183 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 55.953 10.790 57.734 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 55.403 11.903 58.600 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 58.806 85.779 39.150 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 58.182 85.122 38.843 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 59.602 85.284 39.341 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 30.026 38.655 53.868 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 30.660 39.371 53.826 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 29.266 38.978 53.384 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 56.375 33.451 60.176 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 56.225 33.646 59.251 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 57.050 34.074 60.446 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 32.049 68.341 -10.143 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 31.297 67.937 -9.711 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 32.458 67.627 -10.631 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 66.040 81.657 -2.005 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 65.837 80.727 -1.908 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 65.191 82.096 -1.951 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 58.868 83.472 17.072 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 58.522 84.308 16.761 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 59.681 83.352 16.582 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 47.042 92.053 31.498 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 46.962 91.556 32.312 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 46.138 92.232 31.237 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 75.644 67.180 41.447 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 75.719 67.497 42.347 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 74.743 67.385 41.195 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 60.158 5.186 -15.077 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 60.006 4.244 -15.011 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 60.931 5.344 -14.535 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 36.774 93.362 -0.285 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 36.282 93.442 -1.102 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 36.697 94.224 0.126 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 41.020 33.719 9.117 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 41.358 34.064 9.943 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 40.070 33.707 9.232 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 50.777 35.208 63.252 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 50.624 35.914 63.880 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 49.953 34.721 63.232 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 65.946 22.364 -19.171 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 65.594 22.669 -18.335 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 66.887 22.281 -19.019 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 26.023 28.358 18.889 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 26.818 28.734 19.266 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 25.618 29.081 18.412 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 88.845 72.238 56.628 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 89.618 72.785 56.769 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 89.198 71.367 56.443 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 22.912 50.954 19.697 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 23.735 51.412 19.868 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 22.928 50.203 20.291 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 50.136 18.888 42.112 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 49.945 17.956 42.217 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 49.706 19.131 41.292 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 24.481 94.821 41.129 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 24.775 94.462 40.291 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 23.670 94.350 41.320 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 82.045 5.156 64.700 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 81.673 4.356 64.329 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 81.420 5.421 65.374 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 47.011 90.475 33.487 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 47.864 90.112 33.729 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 46.426 89.718 33.463 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 40.012 45.998 65.837 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 40.078 46.116 66.785 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 40.858 45.632 65.581 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 50.630 11.672 -18.681 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 49.737 11.630 -18.340 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 50.968 10.782 -18.580 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 27.893 55.784 3.101 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 28.692 55.298 2.897 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 27.250 55.109 3.319 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 70.403 11.525 44.881 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 69.451 11.547 44.983 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 70.715 11.048 45.650 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 36.384 57.625 -6.497 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 36.214 57.051 -5.751 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 35.712 58.304 -6.436 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 71.567 68.706 19.000 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 70.999 68.082 19.451 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 72.453 68.466 19.275 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 59.893 55.999 55.645 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 59.015 55.735 55.373 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 60.479 55.540 55.043 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 60.185 65.393 -13.926 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 60.522 66.288 -13.883 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 59.495 65.365 -13.263 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 69.446 55.137 1.311 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 69.456 54.697 2.161 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 68.654 55.673 1.328 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 27.340 18.745 16.071 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 28.098 18.668 15.491 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 27.702 18.664 16.953 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 65.126 79.573 -5.894 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 65.652 78.786 -5.756 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 64.307 79.251 -6.271 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 37.079 96.438 19.595 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 36.468 95.725 19.408 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 36.676 96.917 20.319 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 28.320 88.457 11.964 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 27.916 87.922 12.647 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 28.758 89.163 12.439 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 26.615 37.124 53.255 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 26.167 37.531 53.997 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 27.061 37.849 52.817 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 76.719 46.981 34.562 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 75.933 47.287 34.111 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 76.622 47.303 35.459 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 84.688 52.559 33.051 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 85.569 52.336 32.752 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 84.465 53.355 32.568 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 83.602 96.981 33.362 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 83.073 96.250 33.043 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 84.275 97.100 32.692 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 62.313 13.995 1.044 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 62.913 13.645 1.703 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 61.613 14.406 1.551 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 76.062 36.810 63.271 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 75.422 36.724 62.565 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 75.810 37.613 63.726 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 62.511 62.046 21.676 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 62.651 61.573 20.855 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 61.669 62.485 21.559 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 28.290 11.389 32.469 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 28.656 12.146 32.925 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 28.117 10.751 33.162 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 64.481 82.005 56.597 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 64.739 81.988 55.675 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 64.415 81.082 56.844 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 46.712 29.698 -6.408 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 47.184 29.177 -5.760 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 46.768 29.186 -7.215 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 37.407 59.331 49.556 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 37.244 59.876 50.326 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 38.314 59.523 49.315 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 28.136 43.224 -0.928 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 27.395 43.559 -1.433 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 28.104 43.709 -0.103 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 36.660 86.662 4.212 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 37.593 86.494 4.349 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 36.521 87.541 4.564 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 81.700 55.050 21.939 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 81.691 55.175 22.888 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 80.859 54.637 21.743 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 76.171 89.222 40.580 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 76.770 88.792 41.190 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 76.695 89.915 40.178 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 74.196 83.970 36.306 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 73.589 83.417 36.798 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 74.219 83.584 35.431 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 69.040 56.539 27.066 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 68.380 55.916 27.369 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 68.535 57.279 26.730 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 61.423 72.897 30.273 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 61.276 71.952 30.244 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 61.221 73.144 31.176 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 47.674 79.381 42.667 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 46.734 79.560 42.649 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 47.736 78.444 42.852 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 90.354 4.367 39.992 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 90.085 4.280 40.906 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 91.294 4.544 40.034 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 67.389 81.952 8.333 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 66.677 82.459 7.943 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 66.996 81.104 8.538 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 51.414 56.659 63.545 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 51.575 57.142 62.735 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 51.240 55.762 63.260 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 24.790 65.835 64.944 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 23.937 65.898 65.374 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 24.583 65.746 64.013 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 34.237 81.724 54.504 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 33.833 81.249 53.778 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 34.073 82.646 54.308 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 75.726 4.302 -13.509 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 74.913 3.982 -13.900 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 75.451 5.015 -12.933 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 56.896 63.177 -12.845 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 56.514 62.318 -12.668 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 57.574 63.280 -12.177 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 29.829 71.627 59.368 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 30.437 72.041 58.756 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 30.202 71.802 60.232 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 34.210 15.638 19.751 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 34.056 16.500 20.138 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 34.274 15.805 18.811 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 51.872 8.997 46.160 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 51.198 8.324 46.249 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 52.264 9.061 47.031 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 60.326 23.229 27.498 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 59.926 23.054 26.646 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 60.749 24.082 27.393 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 80.245 6.055 -15.738 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 80.949 5.427 -15.575 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 79.445 5.584 -15.507 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 63.528 87.899 31.737 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 62.656 88.294 31.725 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 63.939 88.253 32.526 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 26.359 36.472 36.848 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 26.782 37.269 36.528 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 25.977 36.073 36.066 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 66.989 62.976 39.849 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 67.548 63.317 39.151 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 66.505 62.259 39.439 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 79.814 82.895 55.649 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 80.475 83.515 55.342 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 79.089 82.992 55.032 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 30.523 15.853 58.077 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 31.426 15.930 57.771 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 30.593 15.410 58.923 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 81.052 58.569 9.917 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 81.013 59.044 9.087 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 80.865 57.660 9.682 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 42.307 3.946 0.030 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 41.664 4.315 0.636 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 41.788 3.641 -0.714 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 56.720 57.386 59.275 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 57.394 57.910 58.843 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 55.993 57.995 59.410 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 82.483 79.947 56.738 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 81.733 79.412 56.481 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 82.705 80.444 55.949 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 24.492 26.997 43.094 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 25.130 26.780 43.774 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 23.839 27.536 43.541 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 52.746 11.923 15.245 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 53.355 11.670 15.938 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 52.155 12.551 15.663 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 36.413 79.831 14.432 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 36.857 80.166 13.652 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 36.023 80.605 14.837 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 32.458 2.346 -12.664 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 32.965 1.980 -11.940 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 32.349 1.616 -13.274 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 32.224 61.421 55.169 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 32.608 61.314 54.299 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 31.282 61.330 55.028 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 45.903 54.500 -13.762 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 46.792 54.355 -13.437 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 45.694 55.396 -13.496 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 79.838 18.191 55.291 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 80.603 18.755 55.174 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 79.118 18.677 54.890 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 32.201 20.556 38.903 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 31.350 20.267 39.232 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 32.834 19.991 39.345 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 46.092 75.946 30.144 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 45.878 75.110 30.558 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 46.835 75.749 29.574 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 63.800 60.957 -7.469 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 63.633 61.879 -7.665 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 63.571 60.863 -6.545 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 76.602 82.426 25.430 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 76.492 82.534 24.486 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 76.004 83.066 25.816 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 58.719 94.835 -6.770 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 58.252 94.952 -7.598 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 59.515 95.359 -6.868 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 82.038 72.518 10.605 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 82.986 72.444 10.492 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 81.673 71.859 10.015 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 24.663 35.456 8.264 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 25.372 35.855 8.768 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 24.387 36.141 7.655 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 82.749 22.653 7.444 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 82.540 23.263 6.737 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 83.387 23.121 7.984 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 26.864 32.402 59.296 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 26.272 32.112 58.602 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 26.453 33.192 59.647 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 62.595 74.448 55.645 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 62.045 74.001 55.001 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 63.056 75.119 55.142 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 49.806 80.922 35.753 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 49.039 81.025 35.190 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 50.441 80.452 35.212 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 64.808 28.520 -6.415 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 64.735 28.273 -5.493 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 64.976 29.462 -6.399 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 54.819 93.619 6.681 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 54.923 94.368 6.095 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 53.909 93.669 6.975 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 71.683 50.052 52.147 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 70.923 49.566 52.469 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 71.310 50.789 51.664 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 26.784 15.311 55.026 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 26.929 15.174 54.090 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 26.031 14.757 55.236 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 56.739 59.519 16.216 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 56.787 60.025 15.405 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 55.810 59.528 16.450 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 26.041 84.457 -5.816 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 26.572 83.696 -5.581 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 25.812 84.315 -6.734 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 32.856 81.297 6.967 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 33.486 80.739 7.423 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 32.544 80.761 6.238 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 62.573 39.859 4.298 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 61.767 39.595 3.855 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 62.318 40.612 4.831 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 37.142 35.572 -18.588 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 37.989 35.986 -18.750 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 36.642 35.725 -19.390 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 54.504 12.758 44.023 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 54.569 13.712 44.078 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 54.142 12.493 44.869 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 52.713 90.410 41.652 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 52.110 91.069 41.995 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 53.480 90.909 41.372 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 53.578 84.650 0.879 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 52.663 84.381 0.789 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 53.580 85.245 1.628 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 73.664 58.651 1.621 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 73.620 59.499 2.062 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 73.202 58.051 2.206 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 77.160 53.329 51.033 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 76.283 53.082 50.739 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 77.550 53.772 50.279 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 83.793 88.121 -7.090 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 83.012 87.890 -7.595 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 84.397 87.393 -7.238 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 49.114 21.672 -13.481 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 49.319 21.153 -14.259 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 48.169 21.570 -13.367 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 56.334 14.106 55.632 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 55.640 13.580 55.233 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 55.926 14.957 55.795 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 59.797 13.473 -6.261 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 60.270 12.996 -5.579 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 59.523 12.797 -6.881 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 31.115 48.118 3.388 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 30.533 48.524 4.030 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 31.497 47.371 3.849 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 76.060 93.046 16.819 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 76.989 92.963 17.034 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 75.616 93.040 17.667 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 89.060 53.177 37.816 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 89.508 52.334 37.750 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 89.075 53.384 38.750 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 79.755 8.099 -17.495 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 78.818 7.906 -17.491 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 80.169 7.286 -17.205 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 58.713 52.803 -1.740 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 59.636 52.750 -1.492 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 58.236 52.582 -0.940 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 58.054 70.066 39.011 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 57.333 70.652 39.243 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 58.290 70.317 38.118 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 85.048 57.367 60.652 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 85.025 58.305 60.844 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 85.792 57.263 60.058 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 58.056 74.154 36.328 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 58.122 73.227 36.098 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 57.319 74.477 35.810 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 81.363 78.820 -17.376 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 81.816 79.632 -17.604 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 81.109 78.936 -16.460 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 36.780 1.652 -3.517 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 36.608 0.999 -2.838 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 35.912 1.943 -3.795 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 55.797 78.653 2.312 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 55.991 78.776 3.241 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 56.207 77.817 2.090 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 41.145 79.772 23.956 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 40.417 79.366 24.427 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 41.925 79.334 24.298 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 75.012 70.030 63.582 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 75.039 69.579 62.738 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 75.295 69.372 64.216 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 77.443 70.236 15.927 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 77.172 70.417 15.027 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 76.655 69.896 16.351 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 66.619 42.913 2.359 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 67.280 43.605 2.387 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 65.788 43.368 2.495 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 88.666 90.965 22.850 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 89.266 90.327 22.462 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 88.538 91.621 22.165 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 74.962 59.397 25.927 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 75.664 58.901 25.505 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 74.191 58.836 25.851 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 83.372 89.860 67.375 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 84.236 90.110 67.047 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 82.804 89.895 66.605 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 47.385 72.117 24.681 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 48.173 71.679 25.004 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 47.133 71.616 23.905 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 24.388 32.778 7.350 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 24.254 33.639 7.746 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 24.455 32.179 8.093 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 39.368 94.493 65.745 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 40.290 94.293 65.907 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 39.260 95.392 66.055 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 65.532 65.094 -7.939 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 64.691 64.683 -7.740 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 66.172 64.583 -7.444 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 83.845 28.343 53.396 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 83.599 28.710 52.547 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 84.801 28.397 53.413 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 50.167 24.979 64.540 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 50.496 25.865 64.693 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 49.758 24.728 65.368 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 34.120 94.010 -11.561 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 34.009 93.246 -12.126 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 35.060 94.191 -11.583 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 59.080 20.887 35.961 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 58.572 21.694 36.045 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 59.005 20.467 36.818 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 81.081 51.803 18.364 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 80.502 51.216 18.851 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 80.661 51.900 17.509 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 41.547 23.739 38.436 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 41.834 24.368 39.099 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 42.053 23.966 37.655 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 30.384 71.056 20.639 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 30.671 70.329 21.191 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 31.075 71.712 20.728 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 42.711 72.489 25.574 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 43.092 72.046 26.332 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 43.395 73.090 25.278 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 33.967 74.368 16.176 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 34.603 74.114 15.508 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 34.346 74.058 16.999 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 77.377 88.908 24.456 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 77.368 89.269 25.342 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 77.649 87.997 24.571 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 54.233 90.661 44.083 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 55.049 90.616 43.585 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 53.634 91.151 43.519 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 88.001 86.547 26.804 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 87.374 87.183 26.462 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 87.590 86.209 27.600 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 62.050 59.339 -20.321 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 62.702 59.967 -20.009 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 61.380 59.329 -19.637 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 63.626 84.246 18.557 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 63.845 83.507 17.991 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 63.300 83.844 19.362 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 56.926 85.347 22.298 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 57.372 84.596 22.690 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 56.472 85.765 23.029 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 62.858 70.226 35.915 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 62.447 69.362 35.950 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 63.078 70.349 34.991 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 44.495 16.463 40.790 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 43.631 16.838 40.957 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 44.393 15.531 40.983 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 67.503 11.119 2.462 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 67.926 11.965 2.613 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 67.577 10.662 3.300 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 90.320 2.485 48.997 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 90.933 1.804 48.718 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 89.633 2.476 48.331 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 59.586 87.125 -19.269 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 59.683 86.236 -18.928 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 60.475 87.390 -19.506 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 78.695 59.240 -19.194 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 78.914 59.299 -18.264 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 78.102 59.976 -19.348 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 55.624 7.211 -9.565 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 55.807 8.131 -9.755 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 54.831 7.016 -10.066 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 54.429 68.687 40.630 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 54.574 68.156 39.847 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 53.500 68.574 40.827 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 76.451 77.521 66.171 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 76.278 78.099 65.428 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 77.014 76.834 65.815 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 68.825 64.553 10.407 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 67.876 64.682 10.417 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 68.943 63.625 10.611 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 82.182 88.314 1.545 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 81.666 87.869 2.217 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 81.538 88.801 1.031 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 38.469 95.309 39.225 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 37.549 95.255 39.484 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 38.747 96.181 39.505 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 76.857 38.682 -5.001 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 76.462 38.510 -5.856 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 76.328 39.388 -4.630 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 29.151 70.119 8.469 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 29.932 69.667 8.789 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 28.654 69.442 8.009 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 51.175 58.818 58.995 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 50.379 59.170 58.599 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 51.560 59.560 59.462 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 24.168 35.072 43.863 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 23.537 34.575 44.385 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 24.573 35.674 44.487 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 58.388 18.333 30.429 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 59.092 18.536 31.044 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 58.736 18.586 29.574 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 85.600 57.682 29.949 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 84.941 57.978 29.321 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 86.347 57.423 29.408 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 46.273 94.354 -19.587 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 46.133 93.654 -20.224 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 45.392 94.637 -19.343 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 37.032 60.917 22.968 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 37.924 60.944 22.620 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 37.109 61.266 23.855 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 32.994 65.749 -4.452 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 33.508 66.534 -4.640 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 32.472 65.982 -3.684 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 51.059 79.381 32.179 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 51.120 78.651 32.795 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 51.111 78.970 31.316 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 46.859 4.078 18.685 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 46.896 3.588 17.863 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 46.741 4.989 18.417 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 89.652 68.310 35.007 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 89.863 68.604 34.121 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 88.717 68.491 35.103 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 82.597 49.423 37.364 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 82.491 50.334 37.092 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 82.561 49.453 38.321 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 41.516 87.222 52.671 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 41.882 87.883 52.085 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 40.575 87.239 52.494 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 45.868 2.862 13.036 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 45.490 3.656 13.415 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 45.245 2.170 13.260 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 31.339 7.212 67.229 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 32.180 7.106 66.784 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 30.853 6.415 67.017 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 42.967 72.249 54.472 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 42.292 72.101 53.810 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 43.715 72.588 53.980 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 52.780 82.969 30.511 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 52.011 82.519 30.859 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 52.871 82.634 29.619 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 52.171 67.389 58.688 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 51.222 67.421 58.563 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 52.369 66.457 58.780 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 53.408 16.438 41.580 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 53.199 17.203 42.117 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 53.366 16.759 40.679 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 26.867 80.467 47.759 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 26.705 81.366 48.043 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 25.999 80.064 47.728 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 74.751 42.872 25.659 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 73.835 43.097 25.494 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 75.169 43.708 25.869 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 60.267 95.014 50.179 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 59.521 94.556 50.565 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 61.026 94.483 50.420 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 26.805 25.912 55.521 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 27.706 26.182 55.696 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 26.887 25.042 55.128 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 57.931 18.171 -2.437 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 57.364 18.500 -3.135 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 58.463 17.496 -2.859 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 60.826 12.485 28.724 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 60.650 13.300 28.254 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 60.002 12.000 28.681 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 69.546 84.564 62.637 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 69.479 85.518 62.616 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 70.485 84.388 62.583 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 77.577 83.216 54.132 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 77.764 82.761 53.311 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 76.741 82.852 54.424 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 31.533 78.050 53.536 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 32.226 78.664 53.295 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 30.928 78.566 54.069 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 53.063 1.616 12.235 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 54.016 1.540 12.288 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 52.814 2.074 13.038 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 21.803 61.091 34.706 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 22.609 61.466 35.059 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 22.099 60.406 34.106 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 56.254 27.431 2.523 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 55.801 28.181 2.907 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 55.668 27.126 1.830 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 86.240 66.897 6.556 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 85.643 66.231 6.896 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 85.691 67.671 6.432 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 68.840 60.696 22.990 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 67.890 60.664 23.098 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 69.078 61.594 23.220 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 50.947 72.815 44.614 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 50.710 72.089 44.036 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 50.321 73.507 44.399 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 53.969 58.583 58.742 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 54.185 58.873 57.856 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 53.248 59.153 59.012 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 72.119 34.305 -18.019 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 72.275 34.358 -18.962 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 71.689 33.459 -17.894 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 35.970 32.916 -1.048 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 36.301 33.260 -0.218 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 35.792 33.694 -1.577 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 82.459 74.641 44.293 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 82.884 73.786 44.219 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 81.873 74.553 45.045 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 45.474 73.201 31.185 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 45.593 73.338 32.125 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 45.986 72.416 30.990 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 44.067 62.773 52.326 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 44.226 63.710 52.218 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 44.754 62.351 51.810 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 34.755 0.484 22.839 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 35.606 0.236 23.200 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 34.133 0.303 23.543 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 55.409 17.883 48.523 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 55.938 18.209 49.251 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 54.553 17.700 48.912 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 83.515 77.533 5.235 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 83.499 76.882 4.533 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 83.272 77.045 6.021 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 29.196 50.784 29.991 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 28.719 51.109 29.227 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 29.951 51.368 30.068 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 67.475 79.145 13.216 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 66.643 78.939 13.642 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 67.760 78.315 12.833 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 37.632 2.398 -13.763 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 38.470 2.093 -13.414 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 37.650 3.347 -13.636 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 49.905 70.422 43.385 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 49.059 70.631 43.782 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 49.990 69.474 43.488 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 25.391 63.388 66.262 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 25.254 64.282 65.949 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 25.161 62.835 65.515 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 77.802 3.134 5.158 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 78.263 3.807 4.658 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 78.498 2.587 5.522 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 37.849 51.471 -13.274 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 38.409 50.939 -12.708 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 38.346 51.560 -14.087 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 44.712 85.211 13.963 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 45.510 84.721 13.760 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 44.000 84.630 13.695 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 62.395 63.008 -4.866 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 61.639 62.440 -4.715 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 62.845 63.039 -4.021 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 56.547 61.340 18.475 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 57.441 61.675 18.407 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 56.237 61.300 17.570 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 32.685 94.554 27.222 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 32.568 93.934 27.943 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 33.284 94.112 26.621 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 39.046 89.506 15.074 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 39.567 89.997 14.438 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 39.445 88.636 15.089 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 20.877 82.297 39.119 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 20.234 82.731 39.679 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 20.556 81.399 39.035 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 76.045 51.850 8.654 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 75.692 52.720 8.839 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 75.460 51.250 9.117 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 72.597 85.781 25.574 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 72.446 84.874 25.310 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 73.232 86.113 24.939 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 60.140 64.235 -16.713 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 59.675 63.407 -16.834 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 59.693 64.657 -15.979 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 31.924 84.129 36.169 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 32.328 84.747 35.561 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 32.632 83.881 36.764 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 68.111 34.923 -4.777 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 67.975 33.976 -4.820 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 68.329 35.093 -3.861 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 21.163 8.412 63.433 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 21.551 8.625 62.584 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 21.701 7.695 63.768 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 85.715 57.349 46.191 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 85.472 58.122 45.682 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 86.622 57.173 45.941 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 21.192 6.841 4.671 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 20.729 7.678 4.699 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 21.983 6.987 5.189 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 79.480 94.255 58.391 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 80.173 93.597 58.452 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 79.710 94.775 57.621 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 85.766 72.343 -1.620 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 86.488 71.991 -1.100 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 85.588 71.666 -2.273 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 68.361 14.498 62.945 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 69.047 13.875 63.185 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 68.830 15.312 62.763 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 87.975 19.246 -6.588 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 87.471 19.604 -5.857 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 87.997 18.303 -6.426 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 88.730 69.516 45.454 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 88.451 69.938 44.641 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 89.520 69.031 45.215 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 82.641 30.884 6.739 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 82.957 31.473 6.054 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 81.827 31.286 7.043 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 70.936 57.392 1.838 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 71.259 57.264 2.729 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 70.543 56.552 1.601 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 52.369 27.076 33.140 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 52.984 27.474 32.524 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 52.814 26.286 33.447 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 35.308 2.460 1.406 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 35.461 1.540 1.624 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 35.784 2.948 2.078 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 51.662 18.527 3.364 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 51.799 18.898 4.236 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 52.216 19.055 2.789 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 48.234 75.455 28.218 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 49.022 75.125 28.648 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 48.252 75.059 27.346 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 73.983 96.974 29.049 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 73.783 96.117 28.673 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 73.853 96.859 29.990 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 52.708 71.741 28.769 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 52.536 70.810 28.628 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 52.709 72.121 27.891 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 66.736 83.301 57.499 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 66.549 83.535 58.408 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 65.913 82.940 57.170 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 39.932 53.025 28.952 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 40.859 53.018 29.189 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 39.703 53.953 28.907 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 50.130 16.763 44.896 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 50.395 17.452 45.506 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 50.612 15.988 45.184 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 55.046 10.408 33.586 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 55.297 9.780 34.262 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 54.991 9.889 32.784 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 55.427 51.081 54.990 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 54.587 51.477 55.223 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 55.678 51.515 54.175 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 49.780 82.209 -5.981 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 50.046 81.422 -5.507 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 49.637 81.912 -6.879 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 59.547 3.752 34.184 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 59.416 2.841 33.922 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 60.495 3.840 34.281 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 73.576 55.475 66.644 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 73.866 55.876 67.464 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 74.386 55.225 66.200 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 79.362 55.848 2.991 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 78.459 55.701 3.273 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 79.890 55.322 3.591 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 66.228 0.216 24.567 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 65.483 0.304 25.161 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 65.837 0.186 23.694 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 87.927 82.975 23.894 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 87.489 82.997 24.745 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 87.491 83.656 23.382 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 66.317 49.959 66.996 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 66.782 49.803 67.818 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 65.550 50.474 67.249 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 33.518 73.717 8.206 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 32.791 73.443 8.764 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 33.913 74.454 8.670 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 55.288 9.985 39.512 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 55.998 9.469 39.894 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 55.555 10.895 39.645 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 20.858 11.645 4.067 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 21.328 11.390 4.860 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 20.269 12.344 4.351 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 48.392 24.550 -15.023 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 47.659 24.245 -14.488 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 49.141 24.549 -14.427 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 65.409 92.443 37.121 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 65.390 93.353 36.824 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 64.487 92.200 37.210 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 84.250 33.467 -10.273 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 84.508 32.747 -9.696 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 83.444 33.162 -10.691 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 79.725 41.640 2.762 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 80.660 41.656 2.560 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 79.620 42.283 3.463 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 83.352 96.352 8.355 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 82.420 96.221 8.179 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 83.622 97.023 7.728 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 85.569 92.009 31.786 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 86.405 91.634 31.509 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 85.084 91.270 32.152 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 56.507 96.493 9.189 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 57.081 97.232 8.987 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 56.918 95.745 8.754 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 90.787 88.315 64.989 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 90.711 88.205 65.937 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 89.901 88.533 64.701 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 26.066 54.944 -17.269 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 25.822 55.869 -17.228 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 25.247 54.488 -17.461 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 30.367 13.632 30.829 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 31.101 13.315 30.302 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 30.772 14.186 31.496 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 80.438 31.801 55.005 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 81.263 31.420 54.704 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 80.523 32.736 54.816 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 27.220 84.858 33.964 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 26.695 84.293 33.397 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 27.717 84.251 34.513 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 51.999 69.190 5.180 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 51.759 68.840 6.038 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 52.279 68.424 4.679 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 64.261 25.748 2.411 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 64.476 24.841 2.625 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 64.212 25.764 1.455 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 53.279 44.604 32.839 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 53.577 43.705 32.702 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 53.431 45.038 32.000 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 44.844 4.088 41.656 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 45.622 3.993 41.106 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 45.188 4.185 42.544 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 38.859 76.196 8.741 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 39.647 76.438 9.227 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 38.220 75.971 9.417 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 87.374 65.932 31.587 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 86.672 65.559 31.054 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 87.138 66.854 31.685 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 45.329 86.867 62.505 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 45.997 86.195 62.641 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 44.953 86.663 61.649 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 33.205 39.360 11.957 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 33.588 40.120 12.396 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 32.589 39.732 11.326 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 83.851 17.593 44.456 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 83.763 17.956 45.337 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 83.894 18.359 43.884 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 73.537 77.389 53.088 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 72.867 77.034 52.504 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 73.047 77.893 53.738 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 56.805 48.125 -9.175 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 56.137 47.922 -8.520 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 57.106 49.005 -8.945 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 28.003 71.705 38.577 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 28.483 70.882 38.488 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 28.045 72.104 37.708 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 53.581 94.624 21.305 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 54.191 95.349 21.173 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 53.203 94.467 20.440 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 32.787 71.056 63.458 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 32.481 70.474 64.153 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 33.398 71.651 63.894 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 54.542 77.938 41.329 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 54.310 78.179 40.432 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 55.252 78.536 41.562 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 66.494 48.308 -3.016 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 66.670 48.391 -2.079 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 66.860 49.105 -3.401 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 27.741 51.439 56.903 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 28.385 50.807 57.222 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 26.917 51.165 57.306 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 89.457 95.493 3.726 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 88.717 95.017 4.104 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 90.206 95.238 4.263 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 80.804 74.958 18.583 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 79.859 75.065 18.697 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 81.176 75.206 19.430 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 28.945 85.339 26.252 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 29.016 85.206 25.307 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 29.688 85.902 26.471 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 36.259 69.436 2.038 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 36.738 69.945 2.692 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 36.287 68.537 2.366 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 29.577 85.026 37.577 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 29.654 84.371 38.271 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 30.144 84.702 36.878 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 82.184 36.346 40.131 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 81.857 35.465 40.313 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 83.061 36.207 39.773 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 56.995 44.815 -0.330 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 56.644 44.709 0.555 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 57.941 44.720 -0.226 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 49.294 52.548 51.577 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 48.565 52.547 52.197 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 49.165 53.340 51.055 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 22.199 51.942 -8.029 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 21.252 51.941 -8.172 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 22.475 51.051 -8.240 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 46.209 29.433 56.655 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 47.043 29.808 56.371 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 45.909 30.016 57.352 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 65.431 31.172 4.429 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 65.122 31.095 5.331 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 65.489 32.115 4.274 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 74.572 17.769 47.704 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 74.615 17.557 48.636 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 75.242 18.440 47.578 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 28.836 30.753 -3.221 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 29.752 30.672 -3.486 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 28.503 31.492 -3.731 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 86.900 30.523 -10.418 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 86.059 30.066 -10.406 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 86.891 31.021 -11.235 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 42.865 10.667 7.736 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 41.917 10.795 7.705 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 42.976 9.798 8.122 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 42.540 31.362 8.859 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 42.079 32.199 8.915 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 42.793 31.166 9.761 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 63.048 62.998 65.546 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 63.174 63.931 65.369 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 62.136 62.929 65.831 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 73.334 75.189 -19.268 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 72.645 75.639 -18.779 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 72.953 75.035 -20.132 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 69.478 96.590 29.931 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 70.133 97.228 29.648 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 69.575 96.553 30.883 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 40.238 10.805 30.669 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 39.322 10.791 30.391 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 40.613 10.006 30.298 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 25.437 36.107 51.098 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 26.094 36.186 50.406 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 25.891 36.387 51.893 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 71.861 81.967 42.314 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 71.572 81.055 42.355 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 71.110 82.471 42.627 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 23.046 86.723 45.565 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 23.414 86.112 44.926 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 23.670 87.448 45.591 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 27.141 84.454 13.219 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 27.799 85.146 13.278 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 27.594 83.727 12.793 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 76.560 24.968 6.417 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 77.457 24.836 6.725 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 76.123 24.133 6.586 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 34.039 72.561 -2.334 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 34.268 73.490 -2.320 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 34.880 72.107 -2.373 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 65.006 30.182 13.545 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 64.447 30.685 12.953 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 65.154 30.765 14.289 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 49.151 77.795 47.678 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 49.251 76.863 47.482 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 48.341 78.047 47.237 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 23.903 69.424 26.457 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 23.956 70.379 26.417 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 24.456 69.122 25.737 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 33.406 0.456 13.231 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 34.226 0.184 13.643 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 33.175 -0.270 12.652 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 68.004 61.838 59.355 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 67.314 61.244 59.061 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 67.552 62.663 59.531 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 84.811 77.770 60.963 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 84.391 78.094 61.760 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 84.124 77.807 60.298 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 45.831 83.151 65.663 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 44.930 82.901 65.460 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 46.113 82.519 66.324 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 75.328 76.941 16.840 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 76.084 76.451 16.517 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 74.806 76.292 17.313 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 52.929 16.759 -11.909 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 53.411 17.583 -11.828 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 53.390 16.154 -11.328 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 80.622 26.132 45.517 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 81.537 25.872 45.409 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 80.185 25.803 44.732 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 64.268 85.716 6.648 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 63.779 85.208 6.000 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 64.339 86.590 6.263 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 78.446 50.205 13.643 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 79.213 50.744 13.834 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 77.702 50.738 13.924 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 63.423 46.620 51.416 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 63.453 46.204 50.555 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 63.058 47.489 51.251 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 77.470 70.728 46.473 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 76.617 71.124 46.296 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 78.091 71.452 46.396 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 59.982 59.370 -8.114 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 60.730 59.088 -7.587 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 59.319 58.695 -7.970 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 69.708 61.161 13.781 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 69.284 60.484 13.254 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 69.524 60.911 14.687 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 71.706 63.861 10.062 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 71.828 63.483 10.933 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 70.948 64.438 10.154 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 51.270 70.179 23.971 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 50.928 69.675 23.233 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 52.221 70.119 23.883 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 20.517 67.865 56.828 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 19.599 67.611 56.922 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 20.554 68.322 55.988 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 67.400 19.692 -6.987 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 68.064 19.914 -6.335 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 67.890 19.582 -7.802 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 51.157 70.137 0.647 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 50.848 70.355 1.526 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 51.973 69.657 0.791 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 70.245 71.278 9.398 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 69.596 71.045 10.061 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 69.738 71.391 8.594 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 29.369 18.003 -11.346 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 28.573 17.475 -11.291 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 29.943 17.512 -11.934 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 63.415 2.690 41.659 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 63.838 2.961 40.844 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 62.490 2.901 41.532 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 52.756 93.141 43.515 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 52.643 94.091 43.493 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 51.972 92.795 43.089 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 57.936 52.924 -5.773 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 57.451 53.006 -4.952 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 57.804 52.014 -6.040 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 41.812 95.001 21.873 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 42.547 95.232 21.304 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 41.428 94.225 21.466 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 30.130 54.686 -12.683 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 30.577 54.243 -11.962 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 30.828 55.139 -13.157 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 80.502 86.824 55.229 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 79.579 86.576 55.278 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 80.903 86.147 54.684 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 41.217 68.387 -0.709 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 41.870 68.005 -0.124 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 40.931 69.185 -0.263 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 69.084 7.826 4.081 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 68.494 7.277 4.597 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 69.083 8.670 4.532 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 79.740 51.808 33.269 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 80.240 52.407 32.715 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 78.833 52.104 33.185 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 82.494 92.978 31.718 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 83.444 93.067 31.785 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 82.304 93.126 30.791 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 35.822 67.453 34.270 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 36.482 67.871 34.823 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 36.017 67.766 33.386 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 81.434 77.458 49.005 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 81.985 78.213 48.796 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 80.902 77.748 49.746 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 35.284 76.351 53.398 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 35.484 76.955 54.114 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 35.697 76.744 52.630 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 45.334 12.421 39.986 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 45.763 13.238 40.239 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 46.052 11.841 39.734 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 46.110 71.945 64.062 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 45.903 72.468 63.288 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 45.521 71.193 64.008 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 60.340 34.069 -6.980 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 59.911 33.214 -7.026 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 60.754 34.083 -6.118 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 40.541 45.982 -15.689 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 41.481 45.803 -15.684 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 40.465 46.883 -15.375 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 87.001 44.415 -10.634 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 87.557 44.459 -9.856 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 86.158 44.100 -10.309 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 31.105 92.565 44.010 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 31.968 92.740 44.385 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 30.697 93.427 43.932 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 37.058 11.662 -15.787 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 37.345 12.294 -16.447 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 36.994 10.833 -16.261 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 30.578 75.943 56.364 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 30.546 76.034 55.411 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 30.159 75.100 56.538 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 22.378 81.619 4.817 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 22.780 82.478 4.685 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 22.364 81.505 5.768 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 90.119 9.132 4.331 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 90.469 10.007 4.162 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 89.170 9.237 4.268 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 58.132 79.474 23.566 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 58.270 79.448 22.619 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 58.889 79.017 23.932 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 47.431 88.072 -15.387 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 47.051 87.924 -16.253 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 47.117 88.940 -15.133 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 75.174 17.861 39.110 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 75.762 18.274 39.742 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 74.535 17.393 39.647 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 72.901 3.965 -19.695 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 72.147 3.768 -20.250 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 73.090 4.888 -19.866 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 80.234 79.404 39.679 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 79.889 80.292 39.767 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 79.550 78.925 39.213 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 84.799 16.186 39.048 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 84.929 16.967 38.511 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 85.678 15.946 39.340 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 87.870 81.939 6.255 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 88.046 81.558 5.395 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 87.970 81.209 6.866 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 57.427 64.440 57.106 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 58.139 64.102 56.563 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 57.621 65.372 57.205 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 49.898 78.208 -14.391 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 50.081 77.413 -14.892 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 49.057 78.036 -13.967 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 78.892 78.572 -5.330 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 78.386 78.538 -6.141 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 79.388 77.753 -5.322 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 44.702 52.454 42.868 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 45.053 53.122 42.279 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 44.290 51.814 42.287 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 81.843 59.687 7.574 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 81.966 59.322 6.698 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 82.234 60.559 7.528 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 84.725 61.067 0.793 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 85.473 60.542 1.078 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 84.143 60.441 0.362 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 67.719 7.624 31.000 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 68.613 7.957 30.915 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 67.214 8.371 31.320 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 70.655 13.103 63.426 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 71.357 12.702 63.939 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 71.110 13.608 62.751 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 38.228 84.537 1.821 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 38.256 83.924 1.086 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 37.911 85.355 1.438 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 41.046 77.514 62.326 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 41.351 77.119 61.509 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 41.848 77.760 62.787 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 25.954 32.275 54.332 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 25.978 32.429 53.387 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 26.356 33.057 54.712 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 54.580 27.699 9.453 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 54.018 27.003 9.795 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 54.441 28.435 10.049 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 28.071 60.880 10.401 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 28.821 61.475 10.398 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 27.746 60.908 11.301 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 67.790 76.045 44.161 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 68.140 75.389 44.764 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 68.547 76.329 43.649 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 38.300 85.648 12.806 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 38.396 85.150 13.618 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 39.046 86.247 12.803 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 28.268 47.691 -19.565 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 27.683 47.317 -18.906 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 28.393 48.598 -19.288 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 45.487 10.460 24.899 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 46.361 10.197 25.186 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 45.534 11.414 24.830 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 36.951 3.585 19.275 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 36.886 4.535 19.183 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 36.371 3.373 20.007 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 63.375 87.818 26.139 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 63.911 88.390 26.687 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 63.175 87.067 26.698 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 74.835 48.688 7.442 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 73.976 48.646 7.021 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 74.714 49.292 8.174 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 31.475 47.741 44.995 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 31.150 47.676 45.893 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 31.890 48.603 44.951 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 41.135 76.436 -13.846 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 40.899 77.327 -13.587 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 40.933 75.902 -13.078 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 34.311 86.562 54.127 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 35.170 86.957 54.278 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 33.741 86.970 54.778 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 64.943 74.065 27.016 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 65.118 74.096 27.956 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 65.015 73.138 26.788 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 47.247 2.572 2.717 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 46.583 2.348 3.370 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 47.166 1.890 2.050 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 89.961 78.146 43.004 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 90.422 77.769 42.255 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 89.780 79.049 42.743 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 71.435 61.178 4.802 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 70.897 61.849 4.382 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 71.756 61.595 5.602 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 47.669 71.440 44.167 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 47.635 71.795 43.279 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 47.099 70.671 44.140 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 73.943 19.997 65.844 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 74.689 19.426 65.659 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 74.145 20.812 65.384 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 35.556 63.828 51.204 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 35.264 64.584 50.694 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 35.794 63.173 50.548 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 47.399 18.198 44.799 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 48.164 18.473 44.293 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 47.413 18.756 45.577 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 22.265 93.495 32.809 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 22.452 92.635 32.433 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 23.042 94.018 32.609 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 25.506 0.452 41.342 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 25.167 -0.442 41.308 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 24.774 0.998 41.055 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 80.810 55.186 46.527 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 80.172 55.728 46.063 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 81.651 55.614 46.367 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 37.747 17.361 48.449 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 38.261 16.584 48.670 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 38.364 17.936 47.997 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 50.466 93.576 46.932 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 51.418 93.481 46.969 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 50.149 92.711 46.673 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 64.854 58.162 16.532 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 63.936 58.399 16.400 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 65.165 57.914 15.661 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 39.447 41.009 56.948 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 40.229 41.036 57.500 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 39.688 41.508 56.167 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 55.513 79.975 -8.321 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 54.819 79.318 -8.381 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 56.297 79.476 -8.093 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 86.939 20.728 -0.627 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 87.348 20.109 -1.232 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 87.608 20.891 0.038 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 39.597 18.830 46.989 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 39.467 19.270 46.149 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 40.116 18.054 46.775 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 26.615 61.555 55.492 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 26.358 62.398 55.119 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 26.165 61.519 56.336 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 82.577 55.316 5.941 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 82.971 54.814 6.654 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 81.912 54.733 5.576 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 42.851 91.228 38.306 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 42.046 90.724 38.419 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 42.676 91.796 37.556 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 45.881 11.216 63.913 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 46.376 10.662 63.310 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 46.506 11.438 64.603 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 58.785 10.845 30.735 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 58.651 9.904 30.848 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 57.902 11.207 30.667 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 68.691 44.332 4.226 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 69.349 44.735 3.660 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 67.949 44.936 4.201 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 49.345 10.435 56.278 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 50.043 9.875 55.938 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 48.538 10.041 55.947 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 47.907 12.537 10.554 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 48.259 13.153 9.912 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 47.175 13.003 10.958 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 39.431 78.325 -19.109 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 39.797 77.744 -18.442 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 39.980 78.181 -19.880 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 22.406 64.925 42.826 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 21.817 65.598 42.485 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 22.853 65.347 43.560 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 83.186 16.439 54.152 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 83.388 15.806 53.464 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 82.237 16.377 54.264 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 89.596 14.530 0.664 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 89.321 13.877 1.307 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 90.033 14.023 -0.021 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 64.772 79.352 23.467 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 65.119 78.480 23.282 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 64.042 79.198 24.067 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 58.995 19.024 22.206 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 59.107 19.917 22.534 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 58.169 19.047 21.724 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 80.192 79.066 -15.042 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 79.243 79.165 -15.115 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 80.346 78.910 -14.111 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 74.873 68.163 24.681 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 74.516 67.836 25.507 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 74.113 68.503 24.209 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 68.836 0.463 35.333 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 69.430 -0.279 35.446 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 68.526 0.388 34.431 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 66.566 7.271 58.673 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 67.434 7.510 58.996 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 66.501 7.698 57.819 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 88.098 51.374 6.567 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 88.519 51.830 7.296 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 88.428 51.816 5.785 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 38.461 48.477 25.834 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 37.825 47.766 25.760 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 38.795 48.594 24.944 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 47.790 84.910 -11.482 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 46.897 84.567 -11.510 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 47.832 85.405 -10.664 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 47.371 12.360 5.362 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 48.285 12.560 5.563 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 47.156 12.930 4.625 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 89.973 57.764 22.788 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 90.611 57.755 23.501 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 89.401 57.018 22.967 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 49.354 63.485 3.395 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 50.242 63.717 3.123 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 49.343 63.641 4.339 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 57.601 61.364 -5.051 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 57.036 60.665 -4.723 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 57.035 62.135 -5.086 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 50.128 61.893 59.261 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 50.864 62.364 58.868 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 50.520 61.386 59.971 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 49.746 13.184 57.778 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 50.297 12.713 58.403 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 49.249 12.498 57.331 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 80.719 7.708 7.744 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 80.101 7.308 8.355 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 80.583 7.237 6.922 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 85.085 25.848 65.903 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 84.790 26.731 66.122 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 84.978 25.787 64.953 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 33.655 69.506 -14.745 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 34.027 69.920 -15.523 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 34.124 68.675 -14.668 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 64.438 83.478 11.167 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 64.763 82.664 11.553 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 64.481 83.330 10.223 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 86.110 87.301 -1.764 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 87.020 87.316 -1.469 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 85.657 86.759 -1.117 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 59.874 29.056 2.847 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 60.594 29.507 3.287 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 59.121 29.636 2.961 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 72.881 68.885 7.486 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 72.405 68.912 8.316 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 72.409 68.239 6.960 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 28.351 5.165 42.695 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 27.858 5.276 43.508 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 29.269 5.221 42.962 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 73.413 3.930 -6.786 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 73.425 4.882 -6.884 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 74.325 3.665 -6.906 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 33.786 58.659 21.956 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 34.166 59.535 22.025 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 34.277 58.240 21.249 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 60.940 59.863 33.248 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 60.059 60.225 33.156 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 61.276 59.818 32.353 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 39.667 32.718 -3.303 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 39.214 33.356 -2.752 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 40.471 32.516 -2.824 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 86.344 76.408 44.045 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 85.789 76.057 44.741 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 86.859 75.659 43.746 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 49.974 6.167 27.352 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 49.652 6.160 26.450 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 49.200 5.982 27.884 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 83.952 93.603 8.508 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 83.746 94.525 8.354 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 84.908 93.573 8.545 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 41.860 55.069 66.847 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 42.781 54.811 66.829 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 41.876 56.000 67.071 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 23.076 27.419 57.524 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 23.898 26.930 57.491 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 23.024 27.739 58.425 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 49.247 48.543 54.148 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 49.354 49.424 53.790 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 48.848 48.042 53.437 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 90.947 75.527 -18.259 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 91.002 74.895 -17.542 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 90.223 76.104 -18.015 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 25.211 38.076 3.880 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 25.317 38.099 4.831 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 26.105 38.038 3.540 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 84.970 23.336 -9.470 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 85.393 23.366 -8.612 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 84.705 22.422 -9.575 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 62.201 71.111 -7.261 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 63.070 71.339 -7.590 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 62.370 70.538 -6.513 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 59.144 80.227 16.478 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 58.775 81.104 16.376 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 58.397 79.680 16.724 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 60.515 8.438 -12.053 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 60.931 9.165 -12.517 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 59.844 8.121 -12.657 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 37.722 89.549 36.898 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 38.233 89.790 36.125 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 38.206 88.819 37.286 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 26.366 62.027 -1.965 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 25.632 61.770 -1.408 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 26.979 62.461 -1.371 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 36.143 66.783 20.181 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 37.063 67.029 20.078 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 36.008 66.753 21.128 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 36.856 72.197 23.077 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 37.725 71.869 23.308 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 36.496 71.531 22.491 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 42.901 60.830 41.608 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 43.532 61.506 41.857 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 43.422 60.031 41.533 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 72.370 61.991 27.168 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 72.176 61.629 28.033 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 71.511 62.130 26.769 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 40.587 4.560 63.523 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 40.556 4.050 62.714 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 41.498 4.499 63.810 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 82.971 34.775 -0.254 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 83.451 34.141 -0.786 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 83.370 34.710 0.614 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 70.717 90.741 67.169 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 70.665 91.674 66.962 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 69.818 90.491 67.382 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 85.518 62.915 -5.780 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 86.003 62.116 -5.984 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 85.619 63.463 -6.559 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 24.030 94.529 21.867 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 24.238 95.102 22.605 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 24.546 93.739 22.023 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 42.008 45.905 -3.148 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 42.318 46.216 -2.297 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 42.588 46.324 -3.783 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 33.720 6.399 63.515 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 32.912 5.948 63.762 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 34.160 5.793 62.918 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 82.679 69.225 -10.369 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 82.932 70.139 -10.495 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 82.197 68.997 -11.164 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 23.934 45.627 -15.564 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 24.003 45.832 -14.632 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 23.743 46.467 -15.981 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 48.740 16.655 42.549 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 48.242 16.690 43.365 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 48.208 17.144 41.922 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 22.132 65.459 19.020 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 21.622 64.736 19.384 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 22.982 65.396 19.456 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 43.735 66.585 -19.743 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 44.535 67.057 -19.510 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 43.275 67.175 -20.340 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 29.808 70.766 -13.109 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 29.104 71.039 -12.521 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 30.137 69.952 -12.727 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 80.241 64.135 56.951 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 80.282 64.195 57.906 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 81.011 63.620 56.710 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 57.779 65.228 18.477 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 57.065 65.427 17.872 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 58.264 64.521 18.050 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 69.737 91.408 12.713 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 69.851 91.464 11.764 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 70.371 90.747 12.992 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 57.174 78.037 14.600 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 58.000 77.728 14.228 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 56.606 77.266 14.598 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 33.269 15.722 47.894 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 33.248 14.825 48.226 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 33.905 15.700 47.179 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 48.168 82.691 8.946 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 48.761 83.245 9.454 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 48.673 81.898 8.769 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 69.907 92.146 -11.000 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 70.111 91.670 -11.806 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 70.169 91.550 -10.298 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 32.691 1.791 16.315 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 31.840 1.909 15.893 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 32.850 0.849 16.275 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 81.820 69.705 5.923 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 81.640 69.008 6.553 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 82.387 69.297 5.269 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 21.875 27.325 -1.923 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 22.418 26.622 -2.279 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 21.293 27.568 -2.643 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 25.594 20.563 59.315 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 25.022 20.658 60.077 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 26.323 20.027 59.628 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 33.222 2.936 -17.363 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 33.197 2.935 -16.406 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 33.927 3.545 -17.584 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 36.657 45.092 -11.475 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 36.835 45.138 -10.536 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 36.370 45.974 -11.709 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 43.080 74.620 1.528 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 42.972 74.392 2.452 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 42.256 75.046 1.289 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 89.673 72.413 10.067 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 90.008 72.785 10.883 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 90.455 72.249 9.539 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 43.198 30.364 6.508 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 43.948 29.788 6.654 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 42.934 30.641 7.386 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 74.260 72.502 3.899 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 75.086 72.879 4.202 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 73.865 72.126 4.685 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 58.103 37.235 40.242 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 57.881 36.998 41.142 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 59.006 37.549 40.293 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 50.885 83.757 0.755 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 50.898 83.212 -0.033 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 50.266 83.320 1.339 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 78.679 61.567 46.900 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 78.787 60.861 47.537 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 78.103 62.196 47.334 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 53.387 78.486 29.838 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 53.797 77.908 29.194 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 52.548 78.727 29.445 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 78.422 86.150 14.207 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 79.074 86.245 14.901 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 78.658 86.818 13.564 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 67.731 79.331 -3.744 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 67.294 78.921 -4.490 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 67.402 78.855 -2.982 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 73.599 14.615 52.175 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 74.081 14.531 52.998 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 72.753 14.202 52.349 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 61.147 12.691 20.225 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 61.495 13.230 20.935 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 60.920 11.860 20.643 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 38.754 68.271 64.509 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 38.061 67.749 64.105 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 38.506 69.178 64.330 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 67.673 22.624 33.639 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 67.665 22.972 32.747 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 67.446 21.700 33.538 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 79.353 81.877 25.896 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 78.429 82.029 25.697 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 79.359 81.605 26.813 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 21.185 54.282 56.692 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 21.682 54.548 57.465 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 20.476 54.923 56.630 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 31.659 9.677 -9.978 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 32.415 9.155 -10.246 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 30.904 9.121 -10.171 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 58.180 86.985 8.601 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 57.858 87.840 8.887 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 58.793 86.718 9.286 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 66.473 11.674 51.093 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 66.101 10.793 51.140 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 67.370 11.573 51.411 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 67.315 92.742 -5.712 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 66.434 92.941 -6.028 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 67.299 92.986 -4.786 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 20.880 23.730 41.856 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 21.275 23.585 42.716 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 20.810 22.855 41.473 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 43.478 2.695 39.835 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 43.338 3.255 39.071 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 43.784 3.293 40.517 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 78.443 61.050 57.314 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 78.172 61.854 56.870 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 77.887 60.369 56.937 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 39.814 49.019 45.207 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 40.376 49.744 45.482 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 40.299 48.597 44.497 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 56.312 82.580 45.459 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 55.867 83.017 44.733 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 56.145 81.648 45.317 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 62.176 10.041 28.947 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 61.994 10.980 28.983 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 62.887 9.959 28.311 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 48.235 55.767 63.598 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 49.015 55.287 63.318 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 47.877 56.135 62.790 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 33.354 80.466 27.223 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 32.675 81.075 27.515 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 34.068 81.029 26.925 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 45.898 17.097 54.691 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 46.149 16.961 53.777 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 45.464 17.951 54.696 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 33.794 54.808 59.624 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 33.567 55.214 58.787 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 33.560 55.465 60.280 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 41.740 94.531 -16.711 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 41.554 95.003 -15.899 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 41.592 93.611 -16.492 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 32.984 90.906 6.756 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 32.927 90.419 7.579 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 33.907 91.150 6.685 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 70.502 54.988 54.993 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 71.167 55.078 54.311 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 69.931 54.286 54.681 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 44.135 44.571 -4.981 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 44.278 44.244 -4.093 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 44.612 45.400 -5.011 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 53.788 0.644 -17.731 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 53.915 1.384 -18.324 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 52.928 0.795 -17.339 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 39.293 82.900 8.597 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 39.569 82.108 8.136 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 39.664 82.808 9.475 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 63.897 4.670 -2.157 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 64.047 5.597 -1.970 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 64.734 4.248 -1.961 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 30.637 32.815 36.627 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 31.358 32.654 37.236 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 31.004 33.407 35.971 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 20.924 44.959 26.466 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 20.514 44.602 27.254 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 20.190 45.240 25.920 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 35.162 44.089 41.489 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 34.889 43.266 41.083 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 35.470 43.837 42.360 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 76.459 75.985 39.025 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 76.848 75.255 38.543 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 76.874 75.952 39.887 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 89.600 30.000 24.380 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 90.526 30.061 24.145 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 89.320 29.151 24.036 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 61.902 56.404 62.534 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 62.212 56.935 61.801 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 60.949 56.403 62.444 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 44.716 33.544 -19.291 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 43.853 33.554 -19.705 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 44.626 34.126 -18.536 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 53.501 9.836 25.818 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 53.412 9.232 26.555 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 52.837 9.548 25.191 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 88.189 52.151 12.254 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 88.059 51.210 12.368 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 89.063 52.228 11.871 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 64.745 38.348 36.411 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 64.043 38.279 35.764 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 65.419 38.873 35.980 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 82.493 34.015 -5.038 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 81.839 33.556 -4.511 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 82.369 34.939 -4.824 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 29.613 17.273 61.981 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 28.849 17.430 62.535 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 29.583 16.336 61.790 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 57.050 88.337 -14.804 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 57.068 88.491 -15.749 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 57.747 87.699 -14.652 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 21.619 3.033 2.422 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 21.035 3.432 3.067 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 21.346 2.116 2.386 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 78.979 94.727 1.166 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 78.621 95.079 0.351 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 78.293 94.881 1.816 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 73.184 64.655 6.452 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 72.807 63.856 6.820 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 74.090 64.422 6.250 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 62.729 71.740 46.365 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 62.078 71.136 46.008 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 63.022 72.251 45.610 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 55.324 5.019 28.602 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 56.135 5.421 28.292 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 54.694 5.739 28.630 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 67.690 11.263 46.432 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 66.879 11.731 46.229 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 67.589 10.413 46.005 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 37.687 75.966 16.499 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 36.945 76.405 16.914 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 37.923 76.534 15.766 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 72.021 86.219 28.097 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 72.896 86.358 28.458 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 72.144 86.253 27.148 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 67.792 86.758 21.084 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 67.526 86.011 20.547 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 68.713 86.591 21.286 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 25.428 53.675 2.762 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 25.736 53.392 3.623 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 24.485 53.796 2.872 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 72.185 80.612 3.020 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 71.287 80.483 2.714 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 72.475 81.412 2.582 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 66.501 79.891 -16.533 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 65.566 79.687 -16.507 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 66.928 79.100 -16.206 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 78.005 54.235 47.683 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 77.571 54.620 46.922 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 77.722 53.320 47.683 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 76.641 76.606 4.560 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 77.378 77.174 4.337 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 76.395 76.868 5.447 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 44.834 21.258 66.347 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 45.548 21.671 65.861 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 44.094 21.856 66.240 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 84.331 69.762 12.073 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 84.166 69.806 11.132 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 85.285 69.778 12.151 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 84.642 75.548 30.813 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 85.056 75.315 29.982 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 84.445 74.707 31.227 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 67.292 8.118 56.177 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 67.417 8.373 55.263 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 67.567 8.885 56.679 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 75.068 88.023 4.696 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 74.331 88.632 4.752 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 74.737 87.211 5.082 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 25.773 33.002 51.625 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 26.099 33.756 51.134 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 24.856 33.210 51.802 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 83.239 71.419 -7.939 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 82.894 70.536 -7.803 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 82.521 71.895 -8.357 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 22.350 31.530 5.851 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 23.097 32.010 6.210 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 22.405 30.664 6.254 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 37.821 87.862 -12.864 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 38.119 87.835 -11.955 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 38.531 88.296 -13.337 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 52.509 91.894 53.330 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 52.451 91.668 52.401 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 51.622 92.161 53.569 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 48.590 10.837 23.237 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 48.806 11.769 23.237 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 48.536 10.604 22.310 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 23.621 96.930 20.579 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 23.854 96.131 21.051 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 22.675 96.865 20.449 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 85.544 9.671 -0.132 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 84.969 9.489 -0.875 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 86.153 10.335 -0.456 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 32.463 56.992 64.864 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 31.624 57.080 65.317 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 33.117 57.221 65.524 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 34.908 1.199 56.018 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 34.436 1.515 56.788 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 35.594 0.633 56.373 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 35.501 29.679 -14.873 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 35.019 30.494 -14.732 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 35.163 29.341 -15.702 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 85.566 88.843 -16.419 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 85.550 88.497 -15.527 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 85.875 88.112 -16.954 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 58.456 93.850 55.973 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 58.417 92.905 56.123 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 59.314 93.994 55.574 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 30.072 83.784 28.651 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 29.677 84.426 28.061 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 29.413 83.644 29.330 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 55.550 84.231 -6.217 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 55.329 85.162 -6.227 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 55.768 84.045 -5.304 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 72.605 30.656 -1.690 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 72.799 30.840 -0.770 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 71.650 30.694 -1.746 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 46.512 5.145 39.862 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 46.451 5.221 38.909 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 47.421 4.896 40.025 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 80.852 35.789 24.878 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 81.632 35.542 25.376 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 81.159 35.863 23.974 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 66.226 31.095 -8.597 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 66.102 31.457 -7.719 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 67.049 31.480 -8.900 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 55.089 15.423 -4.833 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 55.642 15.607 -4.074 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 55.453 14.620 -5.206 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 34.158 8.764 49.432 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 34.958 8.301 49.182 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 33.800 9.087 48.605 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 40.502 59.200 8.943 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 41.279 59.379 8.412 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 40.692 59.604 9.790 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 40.858 79.463 21.125 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 41.128 78.651 20.697 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 41.297 79.443 21.976 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 73.306 75.038 62.465 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 73.580 74.891 63.370 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 72.645 74.366 62.302 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 33.916 84.311 18.296 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 34.621 83.742 17.986 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 33.676 83.953 19.150 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 40.689 52.195 6.755 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 41.531 51.741 6.757 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 40.651 52.634 7.605 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 76.590 63.363 1.545 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 75.873 62.880 1.134 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 77.383 62.932 1.226 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 29.416 82.736 -7.396 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 30.324 82.586 -7.660 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 28.900 82.204 -8.002 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 82.342 4.677 50.350 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 82.122 5.088 49.514 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 82.454 5.410 50.956 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 76.234 11.056 48.507 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 75.327 11.183 48.784 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 76.357 11.682 47.793 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 20.720 15.070 5.346 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 21.655 14.994 5.160 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 20.419 15.780 4.777 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 87.468 37.521 46.312 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 88.288 37.340 45.852 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 87.739 37.789 47.190 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 62.993 74.027 13.818 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 62.151 73.627 14.034 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 63.450 73.361 13.305 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 88.743 76.612 34.885 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 88.978 77.530 34.751 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 89.581 76.164 35.003 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 75.234 54.652 45.841 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 75.450 55.048 44.997 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 74.458 55.127 46.138 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 32.924 4.525 4.572 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 32.084 4.071 4.502 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 33.546 3.841 4.821 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 52.991 42.058 -16.954 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 52.571 42.884 -16.712 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 53.842 42.317 -17.306 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 61.974 56.840 18.529 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 62.149 56.095 17.954 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 61.029 56.807 18.682 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 71.221 67.071 31.461 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 70.760 67.422 32.223 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 70.554 67.029 30.776 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 55.408 81.052 54.978 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 54.458 80.940 54.952 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 55.596 81.670 54.271 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 83.868 25.164 53.980 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 82.978 25.048 53.647 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 84.367 25.479 53.227 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 57.785 96.517 23.482 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 57.826 95.988 24.279 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 56.859 96.736 23.386 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 70.351 63.815 -2.502 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 69.637 63.244 -2.220 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 70.690 64.195 -1.691 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 31.435 58.917 -16.322 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 32.270 58.592 -15.984 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 31.674 59.660 -16.876 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 23.196 49.801 12.539 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 23.932 50.165 12.047 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 23.277 48.854 12.427 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 46.195 22.575 47.054 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 45.418 22.743 46.521 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 46.788 23.298 46.848 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 74.431 59.255 41.165 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 73.674 59.803 41.373 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 74.826 59.060 42.015 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 75.495 78.486 45.222 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 75.760 79.363 45.501 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 75.081 78.621 44.369 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 63.294 70.347 16.763 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 63.104 70.093 17.666 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 62.735 69.780 16.231 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 48.791 58.999 51.081 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 49.142 59.876 50.927 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 49.510 58.522 51.495 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 24.596 87.580 48.116 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 24.678 87.499 47.166 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 25.064 88.388 48.330 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 46.457 42.678 12.852 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 45.735 43.097 13.320 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 46.741 41.972 13.433 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 72.119 70.174 -4.083 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 71.851 70.545 -4.923 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 71.303 70.080 -3.591 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 29.032 82.376 42.349 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 29.672 82.805 42.917 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 29.044 81.459 42.623 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 41.175 25.337 -1.877 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 41.241 24.414 -1.635 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 41.949 25.499 -2.417 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 49.771 46.428 55.665 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 49.593 47.269 55.242 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 48.966 45.925 55.547 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 31.650 72.611 9.590 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 30.852 72.938 10.005 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 32.085 72.102 10.275 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 22.827 39.261 -16.895 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 23.455 38.757 -17.413 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 22.124 38.641 -16.701 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 55.246 18.671 -13.133 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 55.397 19.011 -12.251 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 55.970 19.021 -13.653 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 42.612 85.348 23.610 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 42.680 86.232 23.972 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 42.948 84.779 24.303 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 32.769 27.545 52.785 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 32.652 27.090 53.618 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 32.053 27.227 52.235 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 66.293 3.285 56.395 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 66.980 2.638 56.554 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 65.587 2.789 55.981 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 54.897 63.241 -19.675 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 54.595 62.941 -18.818 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 54.227 63.862 -19.962 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 87.685 83.674 4.036 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 87.488 82.908 3.497 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 87.620 83.356 4.937 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 67.147 62.231 33.244 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 67.265 62.230 32.294 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 66.783 63.094 33.440 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 41.345 65.121 43.857 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 41.970 65.817 43.655 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 40.578 65.581 44.199 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 36.583 82.080 56.442 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 35.928 81.754 57.059 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 36.192 81.939 55.580 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 36.766 53.780 -9.185 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 37.044 53.001 -8.702 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 35.896 53.979 -8.838 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 40.448 8.070 25.810 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 40.540 8.982 25.533 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 41.345 7.777 25.973 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 41.236 72.006 60.786 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 40.856 71.953 61.663 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 40.589 72.490 60.273 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 43.564 60.210 2.551 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 44.021 59.568 2.007 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 44.129 60.324 3.314 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 79.171 74.227 -11.780 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 79.540 75.105 -11.682 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 78.549 74.307 -12.503 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 50.076 80.050 -4.200 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 49.738 80.348 -3.356 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 50.540 79.237 -3.999 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 45.586 45.664 -9.520 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 46.471 45.799 -9.182 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 45.253 46.546 -9.683 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 67.928 5.546 63.645 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 68.120 4.611 63.716 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 67.019 5.627 63.936 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 44.714 52.429 8.477 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 45.401 52.849 7.960 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 45.050 52.436 9.373 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 70.635 59.500 -12.860 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 70.030 58.801 -13.110 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 71.243 59.085 -12.249 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 31.299 54.530 55.487 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 31.522 54.124 54.650 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 30.343 54.576 55.485 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 55.888 80.887 50.106 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 56.593 80.526 49.569 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 55.239 81.197 49.474 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 39.767 54.851 31.944 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 39.242 54.345 31.324 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 39.644 55.761 31.675 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 32.935 69.345 57.712 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 31.988 69.486 57.729 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 33.035 68.421 57.485 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 87.509 15.988 39.844 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 87.584 16.455 40.676 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 87.558 15.063 40.083 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 83.574 7.259 -16.974 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 83.866 8.171 -16.989 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 83.215 7.137 -16.095 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 58.032 78.914 -6.934 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 58.363 79.809 -7.008 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 58.629 78.488 -6.319 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 77.057 96.601 2.020 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 76.615 96.836 1.204 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 76.459 96.892 2.709 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 55.617 45.677 57.232 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 55.474 45.828 58.167 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 56.367 46.229 57.012 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 36.660 84.021 -9.566 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 36.567 84.216 -10.499 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 36.005 84.573 -9.139 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 30.335 95.902 54.823 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 30.466 96.850 54.787 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 31.061 95.540 54.315 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 25.077 16.376 -0.819 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 25.699 17.034 -0.509 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 24.621 16.086 -0.030 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 60.852 81.147 31.508 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 60.649 81.660 32.290 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 61.807 81.086 31.503 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 85.118 58.495 -18.651 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 85.289 58.506 -17.709 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 85.806 57.936 -19.014 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 48.229 89.225 8.939 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 48.655 89.833 9.544 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 48.111 88.423 9.449 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 83.136 72.606 3.799 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 83.714 72.569 4.560 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 82.364 72.103 4.058 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 34.753 15.875 52.494 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 33.811 15.852 52.330 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 35.144 15.988 51.628 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 63.963 19.696 28.243 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 63.583 20.522 28.542 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 64.810 19.942 27.872 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 20.129 77.257 1.912 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 19.641 77.421 2.719 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 21.032 77.125 2.201 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 59.993 64.237 52.781 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 60.196 63.592 52.104 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 59.044 64.351 52.727 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 47.357 96.279 28.623 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 47.849 95.544 28.259 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 46.952 96.698 27.863 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 36.151 47.893 49.827 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 37.043 47.629 49.602 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 36.235 48.321 50.679 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 45.166 1.113 -17.541 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 45.179 0.420 -18.201 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 45.686 0.764 -16.817 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 46.547 88.063 56.064 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 45.895 88.587 56.529 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 46.502 87.201 56.478 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 32.086 57.157 10.369 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 32.538 56.931 11.183 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 32.736 57.643 9.862 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 70.560 77.902 -15.300 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 70.877 77.271 -14.655 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 70.813 78.755 -14.947 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 68.890 84.743 9.181 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 68.984 85.666 9.418 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 68.042 84.693 8.741 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 28.849 82.903 -2.430 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 28.558 82.525 -3.259 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 29.377 82.215 -2.025 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 45.319 21.520 56.023 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 45.823 22.322 55.887 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 44.973 21.602 56.912 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 64.015 68.448 39.650 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 64.785 68.806 39.208 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 63.347 68.399 38.966 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 77.806 62.322 26.545 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 77.257 63.052 26.256 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 78.654 62.722 26.738 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 62.906 56.337 -16.919 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 62.484 56.122 -16.087 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 62.191 56.642 -17.478 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 65.643 91.137 25.892 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 65.557 92.054 25.630 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 66.568 90.933 25.752 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 61.964 29.805 61.711 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 61.779 29.619 62.631 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 61.463 30.598 61.521 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 72.149 16.784 3.484 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 72.042 16.733 4.434 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 72.716 16.045 3.266 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 28.562 80.877 33.186 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 27.879 80.404 32.710 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 28.612 80.436 34.034 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 64.552 93.452 20.118 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 64.169 93.215 20.963 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 65.489 93.285 20.224 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 60.016 55.145 -14.739 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 60.963 55.091 -14.610 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 59.644 54.806 -13.925 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 84.990 65.147 39.547 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 84.667 64.274 39.771 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 85.776 65.256 40.083 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 52.004 74.326 49.232 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 52.797 74.055 49.694 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 51.850 73.631 48.592 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 72.370 48.336 46.625 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 71.820 47.565 46.487 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 72.348 48.481 47.571 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 36.693 13.174 -9.655 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 36.702 13.075 -8.703 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 35.836 12.844 -9.923 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 72.337 83.821 18.115 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 73.089 83.825 17.522 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 71.602 83.543 17.568 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 86.724 58.157 -9.035 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 86.325 57.451 -8.527 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 87.508 58.394 -8.540 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 54.345 10.598 -8.424 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 53.697 10.961 -9.027 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 55.089 10.369 -8.981 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 85.800 76.395 38.770 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 86.019 75.833 38.027 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 86.039 77.277 38.484 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 83.903 45.456 23.760 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 84.505 44.840 23.343 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 84.282 46.318 23.584 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 71.202 24.087 56.749 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 71.209 24.979 56.402 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 70.282 23.823 56.713 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 59.493 42.790 67.121 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 60.431 42.979 67.116 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 59.075 43.644 67.007 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 60.381 69.921 65.016 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 59.630 69.691 65.564 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 60.766 70.685 65.446 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 31.978 69.535 -17.336 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 31.786 69.396 -16.409 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 31.128 69.468 -17.770 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 48.149 19.697 3.462 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 48.479 20.433 3.978 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 48.577 19.791 2.610 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 83.842 39.163 37.974 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 84.752 39.429 38.106 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 83.825 38.793 37.092 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 62.868 44.882 53.682 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 63.124 45.626 53.137 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 62.024 44.604 53.327 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 63.937 72.265 66.120 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 63.036 72.082 66.386 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 64.074 73.183 66.355 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 60.367 73.928 -0.344 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 59.867 74.728 -0.501 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 59.771 73.365 0.150 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 33.393 65.012 -16.336 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 33.860 64.264 -15.965 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 33.883 65.776 -16.031 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 51.273 18.491 46.589 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 52.161 18.724 46.860 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 50.711 18.848 47.277 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 70.607 71.603 15.073 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 70.860 72.101 14.296 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 69.724 71.289 14.881 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 84.619 81.793 15.337 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 85.406 82.288 15.563 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 83.912 82.239 15.804 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 51.477 27.804 40.780 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 50.832 27.238 40.356 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 52.321 27.493 40.451 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 29.666 29.352 26.649 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 29.742 28.418 26.455 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 29.901 29.787 25.829 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 83.278 40.075 -13.774 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 84.028 40.602 -13.499 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 82.728 40.015 -12.992 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 62.926 75.557 -17.756 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 62.399 75.394 -16.974 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 63.747 75.094 -17.593 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 47.753 75.719 51.490 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 48.161 75.198 50.799 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 48.408 76.383 51.707 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 58.694 3.820 0.465 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 59.345 3.265 0.893 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 57.876 3.328 0.537 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 53.245 87.664 25.695 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 53.085 88.497 25.252 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 52.452 87.508 26.207 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 59.241 2.675 -14.300 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 58.531 2.038 -14.216 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 59.913 2.367 -13.692 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 43.382 87.147 3.129 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 42.785 87.210 3.874 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 44.081 86.567 3.429 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 50.598 68.991 49.259 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 50.872 68.389 48.567 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 49.742 68.665 49.536 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 62.727 67.242 36.931 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 62.175 66.503 37.186 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 63.146 66.960 36.118 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 89.128 63.002 -13.355 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 88.363 62.566 -13.732 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 89.250 63.783 -13.894 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 66.614 69.789 29.785 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 66.619 69.325 28.948 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 65.721 70.121 29.870 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 58.556 79.715 38.422 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 59.038 78.899 38.285 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 58.026 79.815 37.631 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 66.125 25.182 60.792 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 66.437 25.310 59.896 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 65.407 24.554 60.709 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 25.390 82.017 36.049 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 25.458 82.063 35.095 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 24.539 81.609 36.210 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 90.267 77.478 -3.055 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 89.823 77.694 -2.236 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 90.427 76.535 -3.000 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 73.316 33.964 31.312 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 72.423 34.305 31.368 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 73.503 33.636 32.191 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 71.861 32.149 55.988 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 72.500 31.437 56.007 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 71.148 31.819 55.441 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 37.507 12.301 36.556 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 36.583 12.501 36.701 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 37.766 12.874 35.834 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 78.514 95.208 -6.383 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 78.635 96.023 -5.897 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 78.902 94.535 -5.824 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 42.842 50.880 62.636 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 43.545 50.967 61.993 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 42.201 51.544 62.382 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 72.874 54.952 5.733 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 72.038 54.488 5.789 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 72.990 55.341 6.600 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 87.940 86.550 8.200 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 88.129 87.352 8.688 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 88.788 86.276 7.851 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 50.058 86.069 17.595 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 50.330 85.892 18.496 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 50.878 86.124 17.104 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 84.705 3.963 -13.692 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 84.031 4.251 -13.077 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 85.519 3.994 -13.189 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 57.258 22.248 27.669 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 57.046 22.621 26.813 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 56.673 21.495 27.754 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 51.186 19.150 -4.697 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 50.697 18.435 -4.288 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 51.454 18.801 -5.547 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 64.924 79.408 9.644 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 64.361 79.013 8.978 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 64.491 79.211 10.474 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 29.239 1.909 37.585 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 29.020 2.010 36.659 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 28.905 1.042 37.817 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 85.298 36.468 53.329 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 85.279 35.558 53.627 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 84.992 36.973 54.082 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 77.700 2.067 46.644 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 78.208 2.607 47.249 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 78.343 1.745 46.013 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 40.175 79.106 35.972 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 40.472 78.208 35.823 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 40.912 79.651 35.694 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 33.102 37.951 50.402 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 33.747 37.312 50.099 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 33.071 38.609 49.707 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 31.634 20.394 -6.250 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 32.255 20.343 -5.522 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 31.663 21.310 -6.525 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 75.437 84.809 -17.548 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 76.243 85.230 -17.249 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 75.042 85.443 -18.147 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 72.536 57.259 61.930 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 72.327 57.118 61.007 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 72.389 58.195 62.069 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 28.731 56.772 22.562 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 29.078 56.336 23.341 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 29.502 57.133 22.125 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 83.626 72.303 6.679 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 83.315 71.789 7.424 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 84.473 71.916 6.458 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 76.327 41.455 19.031 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 75.587 41.762 19.555 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 76.172 41.820 18.160 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 79.525 23.494 53.967 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 79.981 23.119 54.721 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 80.099 23.311 53.224 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 85.895 66.195 -3.024 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 86.304 66.513 -2.218 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 86.387 65.405 -3.246 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 77.427 8.554 48.410 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 76.865 7.977 48.927 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 77.235 9.433 48.738 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 82.598 93.604 52.648 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 82.618 93.696 51.696 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 82.886 92.705 52.809 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 54.631 47.960 43.181 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 53.796 47.501 43.272 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 54.826 47.921 42.244 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 73.528 53.072 -13.684 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 74.082 52.393 -14.069 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 73.578 52.915 -12.741 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 70.343 81.240 12.057 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 70.176 80.871 11.189 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 69.771 82.005 12.107 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 90.417 52.321 59.000 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 91.366 52.233 58.911 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 90.080 52.187 58.114 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 50.316 81.027 8.918 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 50.288 80.595 9.772 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 50.476 80.317 8.296 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 20.887 39.061 57.514 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 20.535 38.589 56.759 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 20.886 38.416 58.222 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 24.760 46.112 22.959 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 25.476 45.511 23.167 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 24.910 46.357 22.046 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 37.735 72.524 19.571 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 38.031 71.779 19.048 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 38.532 72.867 19.975 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 28.632 75.362 38.001 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 28.666 75.836 37.171 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 29.464 74.890 38.043 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 81.430 71.537 23.953 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 82.348 71.750 24.121 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 81.327 71.644 23.008 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 47.230 42.358 49.141 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 47.895 42.704 48.544 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 46.399 42.523 48.695 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 22.076 80.641 -10.162 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 22.848 80.985 -9.712 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 22.031 79.723 -9.893 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 32.607 70.371 -2.094 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 33.044 71.214 -2.215 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 33.319 69.753 -1.928 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 83.259 2.922 -7.930 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 83.196 2.886 -8.884 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 82.861 3.760 -7.695 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 25.809 30.785 25.259 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 26.399 30.692 24.512 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 25.767 29.908 25.643 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 48.988 54.512 -15.890 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 48.951 54.219 -16.800 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 49.712 55.139 -15.870 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 66.142 38.036 26.093 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 65.735 38.901 26.056 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 65.837 37.592 25.302 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 31.038 94.262 -12.243 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 30.514 93.540 -12.589 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 31.942 94.021 -12.445 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 45.519 88.046 32.821 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 45.544 87.573 31.989 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 44.754 87.692 33.275 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 76.209 62.171 40.960 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 75.549 61.756 40.404 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 75.954 61.936 41.852 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 32.617 34.220 -0.318 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 33.374 34.022 -0.869 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 32.309 33.365 -0.017 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 73.330 67.486 21.197 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 73.381 66.632 21.626 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 72.703 67.982 21.723 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 54.335 55.423 -4.392 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 55.163 55.063 -4.074 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 54.139 56.140 -3.790 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 80.861 51.454 62.598 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 81.554 51.964 63.018 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 80.222 52.107 62.312 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 27.032 85.182 39.918 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 26.454 85.936 40.034 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 26.537 84.586 39.355 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 45.371 94.407 -15.878 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 44.733 94.711 -15.232 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 45.133 93.494 -16.039 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 78.249 52.266 23.757 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 77.817 51.620 24.316 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 78.375 51.814 22.922 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 64.473 23.649 5.271 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 63.821 23.158 5.771 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 64.119 23.680 4.382 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 71.887 74.171 29.329 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 71.534 73.386 29.748 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 71.129 74.583 28.914 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 23.488 85.680 -14.200 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 23.350 85.917 -15.117 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 23.871 84.804 -14.234 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 22.834 23.967 -3.827 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 21.900 23.819 -3.976 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 23.191 24.146 -4.697 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 87.110 71.558 9.609 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 87.410 70.682 9.365 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 87.913 72.070 9.701 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 79.903 59.556 62.657 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 79.361 59.012 63.228 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 79.649 60.454 62.869 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 29.246 33.858 28.645 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 28.681 33.563 27.931 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 28.651 33.994 29.381 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 34.040 75.026 19.707 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 33.763 75.703 19.089 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 34.720 74.540 19.242 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 51.813 39.232 -17.258 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 52.079 38.891 -18.112 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 52.266 40.071 -17.182 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 65.931 75.351 -8.259 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 65.936 74.740 -8.996 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 65.955 76.218 -8.665 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 52.943 74.535 56.775 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 52.150 75.071 56.790 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 53.305 74.617 57.657 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 27.784 9.652 -8.459 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 27.805 10.088 -9.311 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 26.889 9.780 -8.145 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 20.429 23.561 11.272 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 19.600 23.950 11.550 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 21.075 23.906 11.889 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 68.338 39.064 29.588 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 68.868 38.296 29.376 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 68.123 39.449 28.738 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 82.994 86.254 49.533 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 83.004 87.125 49.135 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 82.103 85.935 49.389 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 30.092 29.432 11.084 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 30.354 28.554 11.359 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 29.780 29.852 11.886 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 55.685 66.412 16.896 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 54.769 66.608 16.701 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 55.839 65.558 16.492 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 63.958 66.991 29.403 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 64.269 67.698 28.838 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 63.280 66.554 28.889 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 52.772 85.026 14.011 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 53.617 84.666 13.740 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 52.143 84.331 13.820 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 88.349 14.818 -2.508 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 88.303 14.656 -1.565 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 88.902 15.594 -2.592 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 61.031 22.813 -7.660 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 61.405 22.569 -8.507 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 61.479 22.250 -7.028 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 52.183 90.303 58.746 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 52.494 90.336 57.841 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 52.928 89.967 59.244 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 84.837 35.808 -8.354 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 84.837 35.399 -7.489 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 83.930 35.738 -8.653 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 66.528 73.019 13.028 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 67.077 72.266 13.247 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 65.633 72.681 13.064 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 68.668 9.762 11.990 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 69.011 10.566 12.381 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 68.911 9.072 12.607 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 47.787 65.571 1.996 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 48.134 64.820 2.478 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 48.489 66.220 2.026 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 82.561 27.907 30.144 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 83.139 28.213 29.445 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 82.057 28.681 30.395 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 62.444 96.154 22.702 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 61.886 96.186 21.925 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 62.154 95.373 23.174 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 72.477 24.455 40.869 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 72.257 24.194 41.763 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 72.859 23.669 40.477 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 80.390 91.628 19.045 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 80.883 90.808 19.010 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 79.868 91.560 19.845 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 75.808 65.838 50.461 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 75.513 66.329 49.694 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 76.761 65.816 50.381 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 72.051 46.430 -5.379 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 71.701 46.920 -4.634 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 71.565 45.606 -5.374 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 45.545 96.191 50.720 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 45.819 95.596 51.419 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 46.125 95.984 49.988 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 67.329 61.427 26.779 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 66.905 60.687 26.344 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 66.613 61.893 27.211 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 69.754 55.855 35.811 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 68.874 55.617 35.521 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 69.996 56.598 35.258 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 36.527 9.009 45.597 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 37.258 8.471 45.901 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 36.742 9.894 45.891 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 44.275 79.287 7.593 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 45.054 79.514 7.084 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 44.613 78.799 8.344 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 73.880 77.629 61.635 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 74.836 77.607 61.673 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 73.611 76.729 61.821 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 31.944 53.519 16.855 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 31.868 53.149 17.734 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 32.165 54.438 17.000 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 34.179 66.701 16.136 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 34.755 67.433 16.360 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 34.386 66.504 15.223 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 60.205 2.484 23.632 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 60.223 1.773 24.273 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 60.161 2.041 22.785 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 85.044 72.245 46.133 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 85.142 72.486 47.054 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 84.102 72.126 46.014 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 52.494 93.461 -6.519 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 53.358 93.390 -6.924 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 52.388 94.395 -6.342 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 55.031 74.293 28.786 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 55.403 73.450 28.524 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 54.420 74.077 29.490 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 20.540 87.468 11.920 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 21.460 87.565 11.671 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 20.566 87.211 12.841 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 45.938 82.338 51.392 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 45.626 82.763 52.191 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 45.315 81.628 51.239 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 43.045 18.796 66.991 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 42.468 19.560 67.012 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 43.246 18.621 67.910 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 38.720 72.739 -8.592 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 37.982 72.753 -7.983 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 38.423 72.189 -9.317 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 85.153 30.914 48.123 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 85.523 31.420 47.400 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 85.912 30.637 48.635 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 75.039 26.142 57.992 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 74.939 25.829 57.093 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 75.083 25.346 58.521 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 63.562 66.052 54.270 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 62.717 66.165 54.704 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 63.433 65.305 53.685 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 70.343 47.444 -7.395 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 69.602 47.549 -6.797 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 71.069 47.176 -6.833 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 77.182 78.908 -15.618 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 76.415 78.740 -16.165 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 77.069 78.332 -14.862 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 47.000 84.801 63.611 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 46.951 84.170 62.893 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 46.699 84.316 64.378 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 64.164 18.817 19.327 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 63.277 19.044 19.606 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 64.457 19.573 18.819 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 64.575 53.511 -18.577 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 64.304 54.190 -19.195 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 63.913 53.537 -17.886 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 84.356 49.591 52.137 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 84.645 50.439 51.800 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 85.099 49.007 51.987 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 76.325 62.460 -2.472 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 76.308 61.584 -2.087 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 75.541 62.495 -3.021 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 45.876 40.012 -19.600 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 45.119 40.257 -20.132 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 45.787 40.530 -18.801 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 41.095 5.626 15.604 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 41.147 5.905 16.518 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 41.739 4.921 15.532 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 26.862 60.621 -8.013 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 26.061 60.623 -7.488 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 27.567 60.738 -7.376 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 50.253 71.801 54.841 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 49.391 72.217 54.814 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 50.288 71.378 55.699 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 49.982 83.930 40.768 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 49.908 83.263 40.086 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 49.915 83.442 41.589 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 57.495 5.120 18.067 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 58.093 5.175 17.323 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 56.684 5.523 17.754 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 35.679 93.530 29.274 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 35.398 92.782 28.747 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 36.573 93.315 29.539 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 43.298 77.337 63.975 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 43.649 78.224 64.047 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 43.384 76.972 64.856 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 25.871 74.168 36.268 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 26.254 73.803 37.066 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 26.430 73.842 35.563 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 32.268 86.429 7.830 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 31.872 85.638 7.466 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 31.653 87.129 7.609 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 72.934 65.045 -3.755 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 72.680 64.251 -4.226 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 72.171 65.259 -3.218 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 79.193 82.761 3.149 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 78.390 83.001 3.613 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 79.394 83.525 2.608 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 43.119 20.405 -2.987 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 42.402 20.577 -2.375 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 43.908 20.433 -2.446 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 70.565 57.510 8.973 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 69.998 57.889 8.301 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 69.961 57.108 9.598 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 73.900 64.315 -0.557 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 73.981 63.373 -0.408 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 72.968 64.498 -0.439 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 74.400 95.445 5.749 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 75.209 95.954 5.799 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 74.505 94.902 4.968 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 49.850 68.141 13.159 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 50.406 67.760 13.839 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 49.754 69.059 13.414 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 54.718 17.984 -6.084 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 54.625 17.200 -5.543 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 55.638 17.985 -6.349 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 30.922 4.200 11.095 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 31.830 3.955 11.274 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 30.415 3.418 11.313 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 64.983 70.839 -11.240 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 65.211 71.171 -12.108 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 64.728 69.928 -11.391 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 66.212 91.023 55.576 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 66.041 90.467 56.336 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 67.165 91.108 55.551 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 47.387 79.908 -5.338 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 48.264 80.149 -5.039 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 47.328 80.268 -6.223 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 22.128 71.654 18.706 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 22.740 72.314 19.034 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 22.455 70.827 19.061 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 64.320 87.598 64.781 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 64.417 87.495 65.727 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 65.205 87.483 64.435 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 32.973 8.675 4.405 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 32.074 8.358 4.484 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 33.064 9.319 5.107 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 84.196 83.649 40.590 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 83.873 83.320 39.751 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 85.148 83.570 40.529 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 34.260 62.327 37.615 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 34.223 62.924 36.867 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 35.185 62.305 37.860 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 75.036 90.107 -18.594 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 74.469 89.999 -19.358 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 75.884 89.760 -18.874 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 23.951 83.419 52.012 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 23.875 84.173 52.596 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 23.047 83.157 51.837 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 33.226 69.864 13.344 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 34.145 69.951 13.596 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 32.770 69.674 14.164 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 73.388 28.719 -9.191 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 73.001 27.916 -9.540 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 72.667 29.155 -8.737 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 29.317 46.721 -16.300 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 29.453 45.830 -16.624 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 30.016 47.233 -16.707 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 44.146 80.029 -2.380 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 43.812 79.161 -2.154 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 45.092 79.908 -2.468 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 40.192 6.408 29.944 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 39.871 6.463 30.844 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 40.678 7.222 29.812 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 57.508 76.656 1.722 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 58.109 76.502 2.451 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 57.117 75.800 1.548 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 21.853 58.814 17.724 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 21.423 58.947 18.568 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 22.038 57.875 17.694 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 60.813 15.006 8.433 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 61.612 15.029 7.905 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 60.105 14.930 7.793 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 40.187 60.768 -6.699 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 40.219 61.667 -6.373 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 39.420 60.385 -6.272 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 32.274 81.607 21.271 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 32.591 80.899 21.833 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 33.059 82.108 21.050 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 30.052 60.533 30.222 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 30.252 59.668 29.863 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 30.902 60.885 30.487 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 75.628 79.319 14.925 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 75.562 78.814 14.115 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 75.705 78.659 15.614 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 80.482 67.218 17.690 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 80.056 66.446 18.060 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 80.284 67.177 16.755 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 51.272 90.102 11.248 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 50.399 90.081 11.641 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 51.711 89.326 11.596 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 70.519 57.079 -2.459 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 69.840 57.584 -2.012 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 71.327 57.566 -2.296 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 64.895 11.174 26.136 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 65.462 10.406 26.203 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 65.037 11.649 26.955 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 89.010 42.280 0.190 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 89.373 41.396 0.146 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 89.654 42.827 -0.260 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 42.062 90.283 66.474 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 42.423 90.919 65.858 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 41.501 89.721 65.939 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 58.671 72.176 50.211 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 59.405 71.853 50.734 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 58.986 72.140 49.308 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 72.303 75.907 33.890 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 71.774 76.169 33.136 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 73.207 76.064 33.615 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 65.524 80.005 38.835 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 65.029 79.541 39.510 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 66.222 79.397 38.590 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 88.104 73.769 51.765 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 88.082 73.950 50.825 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 88.463 72.884 51.831 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 80.224 45.415 11.999 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 79.773 45.618 11.179 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 81.056 45.885 11.937 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 71.177 9.654 10.390 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 71.688 9.199 11.060 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 70.309 9.757 10.780 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 22.783 77.388 32.305 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 23.719 77.222 32.187 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 22.358 76.852 31.635 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 76.809 92.508 -11.515 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 77.034 91.814 -10.897 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 77.646 92.921 -11.728 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 21.078 0.684 -11.894 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 21.586 -0.078 -12.174 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 20.769 0.457 -11.017 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 45.138 62.812 63.756 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 44.617 62.020 63.623 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 44.513 63.458 64.084 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 88.822 73.333 1.223 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 89.139 73.889 1.935 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 89.615 73.037 0.778 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 73.209 33.744 47.467 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 72.698 33.050 47.884 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 73.576 33.334 46.684 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 50.371 47.366 47.228 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 51.010 48.069 47.107 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 49.838 47.388 46.433 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 64.973 56.669 25.537 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 64.149 56.701 25.052 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 64.858 57.299 26.248 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 34.492 49.387 7.585 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 33.909 48.660 7.363 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 34.272 50.072 6.954 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 56.644 16.097 4.084 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 57.199 15.343 3.887 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 56.396 15.979 5.002 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 64.870 79.227 -1.489 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 64.185 79.157 -2.154 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 64.597 78.624 -0.799 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 32.904 84.721 58.741 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 33.128 85.636 58.572 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 33.446 84.476 59.491 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 29.786 45.926 43.901 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 30.463 46.568 44.115 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 29.060 46.138 44.488 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 65.207 2.728 65.951 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 64.685 1.987 66.260 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 65.605 3.088 66.744 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 60.383 87.540 13.569 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 60.703 87.169 12.747 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 60.341 86.795 14.168 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 31.499 49.581 8.903 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 31.845 50.474 8.885 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 32.076 49.089 8.319 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 60.481 30.471 11.080 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 60.710 29.768 11.687 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 60.065 31.136 11.628 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 27.226 70.242 59.557 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 26.971 70.180 58.636 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 28.063 70.707 59.543 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 22.131 78.390 -0.365 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 22.311 78.033 0.505 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 22.284 77.657 -0.961 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 71.853 71.234 -17.976 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 72.522 71.597 -18.557 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 72.238 70.422 -17.645 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 72.789 92.003 12.781 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 73.310 92.630 12.279 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 72.353 92.532 13.448 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 35.353 16.566 49.732 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 34.662 16.496 49.073 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 36.094 16.949 49.263 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 36.921 55.805 4.073 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 37.754 55.831 4.542 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 36.349 55.275 4.628 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 69.492 34.472 -2.124 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 69.685 34.962 -1.324 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 68.636 34.077 -1.963 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 73.211 34.624 56.400 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 73.065 33.824 55.894 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 72.840 34.434 57.261 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 29.280 56.829 41.307 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 29.008 57.455 40.636 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 28.819 56.021 41.082 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 81.311 25.044 52.378 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 81.262 25.312 51.460 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 81.575 24.124 52.346 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 42.334 79.651 44.873 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 42.054 79.707 43.959 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 42.323 80.556 45.184 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 68.053 87.978 51.005 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 67.730 87.269 51.562 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 68.742 87.575 50.478 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 29.580 23.588 3.152 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 30.231 23.400 3.829 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 29.004 24.242 3.548 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 81.161 84.308 22.921 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 80.218 84.146 22.945 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 81.538 83.486 22.607 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 88.119 2.509 47.351 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 88.003 3.459 47.326 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 87.274 2.171 47.646 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 38.117 86.690 -2.848 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 37.393 87.302 -2.719 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 38.433 86.501 -1.964 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 82.437 70.513 46.826 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 82.819 71.165 47.414 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 82.190 69.788 47.400 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 70.961 90.686 2.544 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 71.270 91.292 3.217 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 70.556 91.248 1.883 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 68.562 2.255 47.539 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 67.987 2.029 48.270 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 69.422 1.923 47.797 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 65.707 73.219 63.373 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 65.612 72.721 62.561 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 65.307 72.664 64.043 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 48.050 1.565 34.802 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 48.975 1.780 34.923 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 47.730 1.376 35.684 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 76.342 43.151 6.429 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 75.891 43.992 6.502 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 75.834 42.663 5.781 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 46.370 86.332 47.583 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 46.741 86.579 48.431 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 46.134 85.410 47.684 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 53.132 82.444 -10.381 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 52.837 83.272 -10.760 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 53.373 81.907 -11.135 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 55.366 36.423 -7.280 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 54.983 37.287 -7.434 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 56.190 36.603 -6.828 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 73.699 61.208 -3.489 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 73.763 60.253 -3.527 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 73.073 61.379 -2.785 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 49.892 30.710 38.811 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 50.570 30.154 38.428 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 49.084 30.438 38.376 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 66.845 62.781 67.021 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 66.950 61.936 66.585 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 66.788 62.565 67.952 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 52.298 76.191 42.555 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 51.950 75.844 41.734 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 53.023 76.756 42.288 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 26.772 88.076 -12.468 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 27.482 88.564 -12.884 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 26.502 88.625 -11.732 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 61.515 37.525 39.652 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 61.174 38.168 39.031 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 62.452 37.714 39.703 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 57.518 93.408 23.078 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 56.921 93.579 22.350 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 57.575 92.454 23.123 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 35.512 66.848 -15.920 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 36.381 66.448 -15.885 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 35.318 67.081 -15.012 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 28.838 59.303 43.049 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 28.160 59.916 43.335 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 28.699 59.214 42.107 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 73.331 7.026 -11.655 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 74.040 7.668 -11.612 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 73.703 6.233 -11.270 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 21.870 66.226 -18.221 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 21.423 67.073 -18.246 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 21.164 65.585 -18.136 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 34.402 28.006 4.381 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 34.464 28.463 3.542 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 33.555 27.562 4.350 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 51.463 73.201 -7.556 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 50.541 73.183 -7.812 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 51.468 73.640 -6.705 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 76.118 7.311 54.355 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 75.538 7.863 53.830 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 75.527 6.774 54.882 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 20.787 48.320 10.215 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 20.496 47.853 10.998 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 21.743 48.274 10.250 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 88.379 4.133 -9.627 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 87.617 3.600 -9.855 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 88.026 5.012 -9.491 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 81.356 30.084 29.251 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 81.781 30.155 28.396 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 80.440 30.306 29.083 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 38.623 75.455 3.408 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 38.381 75.214 4.302 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 39.024 74.664 3.046 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 48.678 51.235 36.755 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 49.420 51.774 36.479 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 48.202 51.050 35.946 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 47.711 34.976 14.895 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 47.662 34.905 15.848 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 47.054 34.358 14.574 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 51.472 33.449 -4.405 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 50.962 34.226 -4.632 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 51.459 33.425 -3.448 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 72.959 76.028 50.916 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 73.644 76.240 50.282 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 72.141 76.136 50.430 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 27.083 6.082 60.888 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 27.381 6.955 60.632 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 26.500 5.810 60.180 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 65.083 74.832 40.737 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 64.182 74.508 40.727 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 65.520 74.347 40.037 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 75.319 19.416 -19.017 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 75.851 18.805 -18.508 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 75.737 19.439 -19.878 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 48.292 34.829 -2.991 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 48.882 35.114 -2.293 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 48.229 35.584 -3.576 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 39.270 45.680 32.687 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 39.650 46.167 31.955 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 39.368 46.263 33.440 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 82.865 64.556 -17.424 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 83.482 64.918 -16.789 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 82.122 65.159 -17.407 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 42.176 14.021 63.324 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 43.028 13.728 63.004 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 41.847 14.602 62.638 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 71.652 28.551 -4.166 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 70.891 28.128 -3.770 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 72.018 29.090 -3.464 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 84.859 83.338 60.891 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 83.971 83.187 61.215 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 84.763 84.038 60.245 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 69.970 52.773 -5.214 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 69.054 52.819 -4.941 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 70.440 53.295 -4.564 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 77.986 83.709 11.060 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 78.423 82.925 10.729 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 78.701 84.294 11.312 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 62.314 88.288 38.590 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 61.445 88.663 38.446 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 62.237 87.817 39.420 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 33.892 88.686 21.562 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 33.821 89.578 21.220 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 34.720 88.360 21.210 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 68.552 52.321 -15.285 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 67.955 53.000 -14.969 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 68.289 52.175 -16.194 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 63.464 45.636 48.674 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 62.888 45.596 47.910 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 64.138 44.980 48.501 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 88.373 96.002 -6.821 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 87.813 96.146 -7.583 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 88.378 96.844 -6.365 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 68.249 82.655 -3.698 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 67.520 82.276 -3.208 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 68.717 81.900 -4.055 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 88.986 57.659 65.805 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 89.050 57.435 66.734 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 89.894 57.763 65.520 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 85.502 51.615 21.389 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 85.169 52.383 21.853 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 84.937 51.536 20.620 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 75.219 45.311 59.936 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 74.967 44.504 59.488 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 75.129 45.994 59.271 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 28.152 92.145 12.775 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 27.234 92.300 12.998 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 28.374 91.330 13.226 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 71.778 57.620 20.522 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 71.621 56.740 20.179 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 71.276 57.652 21.336 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 67.003 55.474 28.634 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 66.383 54.977 28.100 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 66.695 56.378 28.580 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 78.570 43.189 29.737 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 79.143 43.877 29.399 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 78.352 42.660 28.970 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 82.201 74.810 13.221 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 82.313 74.991 14.155 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 82.976 75.192 12.809 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 60.124 92.225 25.142 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 59.744 91.630 24.495 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 61.033 91.937 25.228 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 90.818 71.872 47.990 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 89.982 71.407 47.963 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 91.375 71.333 48.551 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 36.253 72.360 -7.156 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 35.792 73.122 -6.804 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 36.066 72.378 -8.094 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 40.916 81.464 59.949 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 40.904 82.370 59.640 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 40.229 81.429 60.615 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 82.740 86.669 19.799 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 82.979 85.752 19.667 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 82.115 86.652 20.524 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 75.533 18.509 4.275 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 75.638 19.393 3.922 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 76.024 18.520 5.097 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 35.272 36.248 49.945 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 35.421 35.459 50.465 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 36.147 36.607 49.797 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 71.120 93.854 54.174 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 71.617 93.128 54.549 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 71.755 94.566 54.098 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 80.663 96.606 11.511 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 80.488 95.817 12.024 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 81.600 96.766 11.628 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 25.539 34.382 13.331 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 26.464 34.252 13.124 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 25.284 35.148 12.816 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 50.374 65.708 53.870 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 50.341 66.303 54.619 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 49.839 66.135 53.201 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 78.046 91.030 39.405 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 77.672 91.607 40.071 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 78.395 91.624 38.741 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 48.548 10.123 15.619 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 48.627 9.779 14.729 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 48.533 11.074 15.509 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 35.343 72.001 32.369 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 35.628 72.544 33.104 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 36.156 71.703 31.961 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 36.631 69.061 62.113 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 36.669 68.172 62.465 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 35.722 69.171 61.835 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 26.069 21.256 -5.843 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 26.082 21.462 -4.908 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 26.105 22.108 -6.277 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 80.463 22.544 3.887 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 81.169 22.986 4.358 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 80.161 21.865 4.490 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 73.365 81.737 11.428 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 73.365 81.884 10.483 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 72.472 81.946 11.704 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 86.665 22.155 32.083 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 86.715 21.834 31.183 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 86.699 23.108 32.000 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 71.443 35.044 19.502 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 70.599 34.908 19.071 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 71.652 35.963 19.336 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 23.755 84.721 8.157 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 22.995 84.995 8.670 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 24.371 84.379 8.805 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 62.352 22.684 63.382 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 62.848 22.014 63.851 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 62.986 23.382 63.217 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 76.012 58.614 4.545 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 75.755 58.911 5.418 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 76.275 59.412 4.087 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 62.803 78.274 1.010 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 62.243 78.524 1.745 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 63.508 77.764 1.408 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 60.027 72.813 -16.162 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 59.785 72.378 -15.344 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 60.236 72.097 -16.762 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 66.493 81.890 27.124 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 67.010 82.369 26.477 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 67.073 81.192 27.428 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 22.804 4.029 -7.469 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 22.828 3.480 -6.684 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 22.939 4.919 -7.143 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 71.798 8.089 1.151 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 71.935 8.404 2.045 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 71.294 8.784 0.727 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 69.422 38.859 -10.880 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 69.184 39.737 -11.180 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 70.355 38.783 -11.077 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 61.503 96.550 8.444 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 62.013 97.092 9.047 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 62.057 95.785 8.283 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 53.257 25.401 -12.880 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 52.701 26.151 -12.671 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 53.297 24.898 -12.066 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 66.677 35.565 36.623 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 67.251 35.746 35.880 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 66.140 36.353 36.711 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 22.186 24.873 28.292 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 21.668 25.383 27.670 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 22.149 25.376 29.105 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 28.687 15.205 -8.341 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 28.584 16.028 -7.862 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 29.060 14.600 -7.701 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 30.652 34.856 43.555 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 31.395 35.237 44.023 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 30.575 35.382 42.759 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 83.061 4.228 2.629 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 82.448 3.944 3.308 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 82.515 4.687 1.991 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 79.562 65.779 2.875 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 80.217 66.206 2.322 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 79.974 64.958 3.144 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 54.960 95.488 -7.430 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 54.743 96.251 -6.895 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 55.671 95.787 -7.997 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 39.159 50.134 49.328 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 38.882 50.754 48.654 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 38.741 50.448 50.130 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 83.614 70.499 30.839 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 82.798 70.271 30.394 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 83.472 71.389 31.161 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 65.091 13.104 28.398 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 64.295 13.636 28.421 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 65.066 12.600 29.211 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 66.853 77.394 29.740 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 67.275 76.870 29.060 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 67.565 77.640 30.330 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 20.350 83.453 43.925 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 21.207 83.034 43.839 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 20.546 84.387 43.994 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 79.862 58.448 20.202 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 78.942 58.711 20.226 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 79.862 57.547 20.525 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 52.117 68.242 42.628 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 51.993 67.296 42.542 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 52.908 68.333 43.159 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 63.330 38.645 46.496 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 63.957 38.174 47.044 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 63.841 38.933 45.739 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 58.889 14.064 67.052 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 58.665 14.784 66.463 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 59.697 13.700 66.689 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 70.793 73.693 63.048 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 70.187 73.528 63.770 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 70.719 72.918 62.491 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 28.552 52.301 -8.752 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 28.759 52.944 -8.074 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 28.315 52.826 -9.516 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 32.001 12.630 60.818 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 31.992 13.423 61.353 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 32.263 11.935 61.422 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 78.047 11.385 0.826 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 77.773 12.210 0.425 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 78.225 11.609 1.739 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 23.211 94.244 -5.660 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 22.727 93.616 -5.123 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 23.503 94.914 -5.041 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 77.772 5.129 53.995 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 77.085 5.734 54.277 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 77.313 4.308 53.822 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 84.230 74.515 34.103 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 83.796 74.501 34.956 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 84.827 75.262 34.150 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 26.185 44.072 10.438 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 26.570 44.370 11.262 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 25.241 44.153 10.571 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 20.565 91.388 49.950 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 21.206 91.175 50.628 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 19.722 91.375 50.403 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 40.756 83.181 13.747 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 40.275 83.765 14.332 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 40.858 82.371 14.247 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 33.745 33.102 54.536 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 33.085 33.423 53.922 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 34.206 32.415 54.056 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 42.004 96.208 57.848 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 42.590 95.994 57.121 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 41.193 96.491 57.427 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 70.565 76.164 11.638 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 71.332 75.839 11.167 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 69.862 75.561 11.397 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 69.871 86.006 -1.783 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 70.791 86.266 -1.815 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 69.704 85.828 -0.858 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 62.753 60.758 -15.792 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 63.699 60.613 -15.792 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 62.498 60.676 -14.873 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 53.561 68.965 1.521 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 53.110 68.142 1.710 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 53.756 69.335 2.382 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 54.678 13.485 7.768 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 54.459 12.804 8.405 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 53.956 13.468 7.141 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 46.252 40.309 15.289 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 46.031 40.662 16.151 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 46.480 39.394 15.456 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 71.428 95.694 -18.859 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 72.128 95.209 -18.422 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 71.436 96.555 -18.442 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 71.142 91.806 25.062 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 71.387 91.019 24.575 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 70.946 92.455 24.386 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 35.292 76.270 64.951 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 35.610 76.190 64.051 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 36.046 76.593 65.444 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 80.610 91.764 42.274 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 81.360 91.537 42.824 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 80.969 91.823 41.389 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 41.421 68.965 30.106 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 41.467 69.104 29.160 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 42.014 69.620 30.474 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 86.902 54.463 46.590 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 87.000 54.942 47.413 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 86.910 53.541 46.847 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 39.717 92.619 59.334 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 38.829 92.574 58.979 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 40.255 92.158 58.691 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 63.226 86.613 0.205 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 63.280 87.171 0.981 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 64.020 86.079 0.240 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 86.788 92.444 34.679 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 87.670 92.814 34.714 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 86.572 92.428 33.747 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 25.254 38.177 6.617 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 26.080 38.465 7.006 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 24.604 38.311 7.307 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 84.461 63.056 34.392 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 83.579 63.119 34.757 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 84.568 63.859 33.882 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 87.435 92.014 44.422 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 87.888 92.857 44.429 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 86.719 92.122 45.048 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 57.984 80.618 13.483 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 57.136 81.053 13.391 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 57.894 80.081 14.270 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 28.145 30.801 7.693 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 28.099 31.740 7.514 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 29.077 30.627 7.827 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 42.245 89.406 50.625 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 41.847 90.217 50.311 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 43.092 89.366 50.180 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 75.205 76.296 36.596 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 75.283 75.871 37.450 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 75.468 75.624 35.968 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 24.443 66.466 60.941 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 25.289 66.513 60.496 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 23.798 66.512 60.235 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 72.096 86.397 -6.135 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 71.164 86.405 -6.355 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 72.404 87.273 -6.365 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 49.276 91.306 46.412 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 49.615 90.593 46.954 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 49.146 90.911 45.550 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 81.484 51.818 22.557 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 82.129 51.318 22.058 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 81.013 52.328 21.898 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 85.992 6.032 57.550 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 86.426 5.541 58.247 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 86.064 6.947 57.820 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 29.836 52.498 42.639 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 30.404 52.556 43.406 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 29.563 53.400 42.473 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 68.747 56.203 6.265 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 68.873 57.137 6.433 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 68.501 55.838 7.115 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 65.705 56.289 31.411 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 64.828 56.320 31.027 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 66.284 56.592 30.711 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 54.354 77.237 -0.666 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 53.762 77.883 -0.280 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 54.162 76.425 -0.196 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 35.848 6.027 20.558 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 35.705 5.466 21.321 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 36.259 6.815 20.914 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 48.603 53.802 -10.047 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 48.383 54.590 -10.545 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 48.389 54.024 -9.140 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 58.596 87.759 -1.510 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 58.779 87.104 -2.184 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 59.018 87.416 -0.722 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 52.296 87.738 38.343 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 52.985 87.339 37.811 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 52.122 87.096 39.031 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 28.192 10.228 40.656 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 28.452 9.358 40.958 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 28.556 10.827 41.308 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 21.192 19.105 -13.250 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 21.477 19.890 -13.717 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 20.701 19.438 -12.499 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 26.516 26.089 28.816 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 26.136 25.242 28.585 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 26.225 26.680 28.122 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 29.619 49.674 59.512 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 29.924 49.659 58.604 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 29.568 50.604 59.732 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 41.576 16.258 5.422 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 41.010 16.979 5.696 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 41.046 15.472 5.554 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 35.227 44.089 51.074 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 35.693 43.664 51.794 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 35.834 44.044 50.335 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 52.977 58.747 -8.119 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 53.886 58.833 -7.833 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 52.633 58.013 -7.609 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 56.713 79.085 17.162 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 56.729 78.412 16.482 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 56.090 78.757 17.810 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 75.769 80.401 36.645 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 76.111 81.204 37.039 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 74.901 80.294 37.033 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 48.781 9.406 63.394 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 49.716 9.573 63.275 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 48.694 9.176 64.319 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 89.201 94.640 32.107 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 89.736 94.014 31.619 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 89.275 94.358 33.019 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 90.658 6.049 -13.402 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 90.466 6.058 -12.464 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 90.782 5.123 -13.613 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 34.749 78.985 -11.904 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 34.611 79.932 -11.933 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 34.145 78.675 -11.229 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 61.927 41.977 37.368 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 62.684 42.086 36.792 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 61.541 42.851 37.424 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 30.446 52.879 4.828 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 30.807 53.691 5.185 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 30.771 52.847 3.928 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 79.395 27.348 34.029 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 78.538 27.011 34.289 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 79.259 27.697 33.148 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 57.633 10.580 -2.146 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 57.590 10.020 -1.370 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 58.069 10.041 -2.807 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 70.312 75.879 50.193 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 69.753 75.149 49.927 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 70.236 76.512 49.479 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 45.115 78.165 -6.580 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 45.240 78.471 -7.478 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 45.823 78.577 -6.084 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 88.479 87.680 23.833 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 89.225 88.248 23.641 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 87.845 88.254 24.263 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 52.563 75.253 39.846 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 52.416 74.414 39.410 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 52.097 75.890 39.305 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 40.983 74.341 -15.785 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 40.623 73.645 -15.234 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 41.118 75.075 -15.187 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 30.011 30.948 28.702 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 29.935 30.319 27.984 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 29.856 31.799 28.293 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 31.254 87.804 35.155 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 30.687 88.345 34.604 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 31.704 88.430 35.723 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 67.872 31.067 11.259 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 67.229 30.437 10.936 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 67.672 31.877 10.789 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 44.819 89.063 -6.840 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 45.411 88.412 -7.216 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 45.346 89.516 -6.182 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 50.912 73.332 30.380 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 50.493 72.913 31.132 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 51.437 72.638 29.982 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 39.057 92.908 -8.818 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 38.199 92.524 -8.636 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 39.025 93.136 -9.748 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 31.693 13.178 28.177 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 32.053 14.006 27.861 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 32.416 12.556 28.098 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 87.581 45.465 52.916 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 88.101 46.044 52.359 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 87.840 45.693 53.808 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 39.620 95.730 62.826 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 39.709 94.828 62.520 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 39.973 95.718 63.716 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 39.810 71.735 32.861 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 39.966 71.406 33.746 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 40.601 71.502 32.376 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 45.298 7.955 39.248 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 45.573 7.038 39.239 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 45.936 8.403 38.694 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 38.793 89.418 26.068 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 39.208 88.568 25.921 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 39.372 90.046 25.638 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 80.214 2.275 -19.287 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 80.807 2.897 -18.866 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 80.714 1.460 -19.333 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 89.494 1.048 1.973 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 88.773 1.599 2.278 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 89.337 0.198 2.384 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 22.834 43.056 21.172 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 22.587 42.654 22.005 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 22.121 42.830 20.576 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 23.205 94.509 6.718 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 23.314 95.128 5.996 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 22.431 94.821 7.187 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 68.902 19.080 -9.361 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 68.737 19.754 -10.020 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 69.671 18.611 -9.685 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 74.196 19.891 42.745 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 74.400 20.081 43.661 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 73.501 19.234 42.786 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 63.236 1.869 50.705 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 63.405 2.269 51.558 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 63.797 2.352 50.098 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 57.008 65.647 13.473 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 57.632 65.782 14.186 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 56.996 64.699 13.341 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 36.232 77.101 7.390 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 37.153 76.925 7.580 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 35.782 76.284 7.608 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 67.188 64.647 57.384 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 66.944 65.270 56.700 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 66.784 64.994 58.180 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 82.195 39.493 64.739 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 82.592 38.980 65.443 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 81.267 39.539 64.968 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 25.182 54.198 -12.651 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 25.671 53.398 -12.843 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 25.645 54.884 -13.132 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 33.117 71.872 -13.367 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 33.173 70.954 -13.634 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 34.026 72.171 -13.341 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 82.732 73.363 32.020 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 82.927 73.573 32.934 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 81.859 73.728 31.871 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 83.802 52.877 -12.812 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 84.646 53.314 -12.702 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 84.026 51.968 -13.010 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 63.435 60.668 34.095 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 63.604 60.731 33.154 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 62.546 60.318 34.155 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 72.847 74.833 15.935 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 72.023 74.581 16.353 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 72.598 75.504 15.300 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 31.915 53.508 44.633 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 32.139 54.081 45.366 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 31.738 52.659 45.038 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 41.026 28.830 5.565 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 41.570 28.536 4.834 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 41.603 29.392 6.082 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 68.522 45.047 12.071 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 67.621 44.823 12.304 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 68.442 45.827 11.522 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 82.951 76.491 27.100 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 83.823 76.204 27.372 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 82.726 75.915 26.369 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 63.981 63.500 57.536 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 63.605 64.184 58.090 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 63.926 62.705 58.066 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 46.754 60.097 -4.889 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 46.963 60.948 -4.502 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 47.604 59.675 -5.013 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 88.121 39.192 32.252 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 87.216 38.885 32.195 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 88.296 39.584 31.396 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 78.547 4.273 8.861 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 78.765 4.012 7.967 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 78.574 5.230 8.845 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 82.329 67.548 -4.095 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 82.638 66.849 -4.671 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 83.007 68.221 -4.149 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 28.547 44.390 1.643 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 28.307 43.739 2.302 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 27.923 45.104 1.773 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 48.399 88.279 -8.677 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 48.139 88.760 -9.462 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 48.264 87.359 -8.904 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 76.980 44.572 12.146 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 76.490 43.943 12.676 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 77.521 44.032 11.570 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 87.735 75.834 -6.230 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 87.819 75.352 -5.408 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 88.631 75.913 -6.555 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 79.236 6.371 49.594 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 79.061 7.307 49.490 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 78.835 6.144 50.433 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 49.884 87.982 6.854 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 49.546 88.388 7.652 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 49.839 87.041 7.026 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 58.429 75.180 53.474 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 59.185 74.679 53.779 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 58.633 75.392 52.563 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 34.561 75.375 -1.280 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 34.825 76.143 -0.773 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 34.712 74.636 -0.691 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 65.240 10.465 14.178 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 65.064 11.279 14.651 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 65.692 10.744 13.381 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 75.236 62.569 -15.875 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 75.149 63.487 -15.619 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 74.416 62.367 -16.326 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 83.321 2.031 -11.230 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 82.636 1.543 -10.774 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 83.830 1.361 -11.687 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 63.030 49.446 36.812 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 62.292 49.930 36.442 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 62.835 48.528 36.623 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 22.659 95.853 -0.968 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 22.410 96.612 -0.442 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 23.455 95.522 -0.551 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 47.043 29.590 1.467 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 46.923 30.393 1.974 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 47.105 29.886 0.559 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 57.192 7.909 -0.641 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 57.828 7.236 -0.886 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 56.791 7.578 0.163 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 25.735 92.379 -17.556 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 24.976 92.805 -17.955 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 26.490 92.816 -17.951 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 54.100 68.931 21.529 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 54.285 68.661 20.629 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 54.276 68.151 22.054 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 81.047 77.484 55.716 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 80.883 77.571 54.777 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 81.759 76.847 55.778 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 64.462 54.151 33.733 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 64.117 53.591 33.038 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 64.243 55.041 33.455 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 69.054 62.704 41.665 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 68.642 62.630 42.526 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 68.321 62.784 41.054 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 54.193 93.665 -12.158 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 53.247 93.786 -12.082 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 54.437 93.176 -11.373 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 22.172 6.701 67.391 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 22.316 5.758 67.479 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 21.386 6.774 66.850 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 51.511 6.308 -16.296 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 51.481 6.297 -15.340 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 52.420 6.523 -16.505 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 38.548 58.847 35.599 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 39.344 58.799 36.128 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 38.475 57.981 35.197 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 62.973 40.680 51.391 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 62.903 41.633 51.450 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 62.856 40.375 52.291 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 39.999 10.953 50.212 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 40.359 10.669 51.053 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 40.531 11.710 49.968 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 56.336 78.954 -14.558 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 56.455 78.110 -14.993 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 57.204 79.356 -14.572 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 56.668 11.441 52.683 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 56.724 12.050 51.947 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 56.181 11.919 53.354 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 44.254 68.606 53.169 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 43.455 68.996 52.814 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 44.834 68.514 52.414 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 88.903 11.053 -8.000 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 88.787 11.968 -7.743 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 89.767 10.817 -7.661 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 38.950 37.940 25.473 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 39.597 37.397 25.023 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 39.415 38.752 25.674 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 63.270 9.581 23.758 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 63.875 9.996 24.373 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 63.533 9.914 22.901 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 32.811 86.903 61.427 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 32.309 86.330 62.006 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 32.160 87.269 60.828 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 28.301 82.898 8.615 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 28.294 82.155 8.012 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 27.864 83.601 8.135 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 66.004 10.023 22.274 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 66.070 10.975 22.346 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 66.474 9.691 23.040 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 43.154 60.405 38.599 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 43.275 59.995 39.456 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 43.023 61.333 38.794 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 90.068 10.653 55.137 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 90.910 10.767 55.577 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 89.430 10.603 55.849 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 26.290 38.066 12.999 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 25.937 38.550 13.746 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 27.223 38.280 12.994 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 29.961 80.612 25.158 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 30.736 80.192 25.532 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 29.505 79.907 24.697 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 30.376 60.108 19.367 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 30.157 59.715 20.212 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 30.408 61.049 19.542 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 74.306 49.661 45.035 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 73.762 50.428 44.856 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 73.706 49.029 45.431 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 82.564 10.938 43.512 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 83.220 11.550 43.848 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 82.976 10.078 43.592 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 35.369 12.016 52.183 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 36.053 11.905 52.843 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 35.786 11.758 51.360 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 83.705 57.600 -6.385 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 83.785 58.256 -7.078 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 84.452 57.766 -5.810 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 43.265 63.510 -2.153 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 43.547 62.608 -1.998 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 42.966 63.818 -1.297 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 21.476 44.563 37.321 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 21.830 45.445 37.205 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 21.090 44.346 36.472 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 60.311 65.126 -9.790 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 60.551 65.857 -9.222 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 60.049 65.537 -10.614 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 67.978 62.876 46.411 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 68.850 62.556 46.179 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 67.649 62.237 47.043 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 75.195 92.883 1.651 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 74.243 92.802 1.595 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 75.359 93.188 2.543 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 81.443 42.659 30.680 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 81.963 43.033 31.392 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 80.992 43.410 30.293 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 83.470 79.423 33.028 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 83.172 78.594 32.653 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 82.905 80.084 32.628 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 65.349 93.661 -17.751 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 65.684 94.553 -17.658 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 64.415 93.774 -17.930 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 58.555 20.672 43.838 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 59.344 20.709 43.298 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 58.799 21.115 44.650 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 88.415 60.894 27.702 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 88.950 60.295 27.180 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 88.090 60.357 28.424 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 54.827 85.183 -9.064 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 55.226 85.166 -8.194 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 54.640 84.265 -9.260 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 53.464 12.204 9.914 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 53.562 12.980 10.466 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 52.723 12.407 9.344 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 68.062 58.026 47.812 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 68.577 57.475 47.222 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 67.784 57.434 48.511 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 22.924 13.759 -0.239 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 23.055 14.205 -1.075 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 22.755 14.464 0.386 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 60.167 83.367 -10.507 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 59.909 82.572 -10.975 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 60.333 83.075 -9.611 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 20.815 63.047 16.608 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 21.209 63.852 16.946 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 20.460 63.294 15.754 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 44.205 10.053 -14.028 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 43.335 10.230 -13.670 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 44.315 9.107 -13.937 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 58.059 30.446 -15.799 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 57.731 30.484 -14.900 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 58.609 31.224 -15.887 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 20.338 31.709 41.302 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 20.361 32.606 41.636 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 21.124 31.634 40.762 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 81.997 34.759 32.689 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 82.932 34.559 32.722 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 81.592 34.112 33.267 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 65.822 76.490 56.884 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 66.303 76.276 56.084 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 65.806 77.447 56.905 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 53.598 62.032 -0.472 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 54.182 61.711 0.215 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 52.750 61.637 -0.270 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 49.809 88.206 31.384 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 49.266 87.524 31.779 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 50.599 87.749 31.098 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 57.508 86.339 58.710 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 57.226 87.050 58.135 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 57.478 85.557 58.158 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 69.500 10.877 8.308 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 69.800 11.710 7.943 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 69.857 10.861 9.196 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 64.146 18.471 54.533 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 63.274 18.160 54.290 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 64.284 18.132 55.418 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 26.021 30.101 -2.585 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 26.334 30.145 -1.682 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 26.813 30.175 -3.118 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 33.624 26.027 12.807 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 34.139 25.254 13.040 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 34.220 26.763 12.944 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 63.641 7.911 -16.640 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 64.356 8.470 -16.943 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 64.075 7.187 -16.190 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 77.674 55.031 -14.805 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 76.732 55.197 -14.851 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 77.985 55.605 -14.105 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 41.058 55.983 58.440 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 41.047 55.987 59.398 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 40.135 55.947 58.190 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 56.664 63.249 49.575 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 56.799 63.763 48.779 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 56.749 62.339 49.290 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 40.867 75.960 0.890 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 41.083 76.243 0.001 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 39.995 76.320 1.051 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 47.338 74.633 25.478 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 48.021 75.013 24.925 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 47.325 73.706 25.240 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 49.104 28.533 19.952 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 48.300 28.523 19.432 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 48.804 28.648 20.854 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 68.853 92.835 60.059 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 68.801 92.807 61.015 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 69.778 92.996 59.874 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 37.989 8.728 -17.023 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 37.387 9.272 -17.532 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 38.858 9.070 -17.233 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 28.318 67.753 48.244 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 27.961 66.868 48.168 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 29.180 67.701 47.831 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 36.967 12.300 19.238 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 37.161 13.139 18.821 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 36.043 12.360 19.479 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 28.445 96.516 13.067 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 29.363 96.247 13.029 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 28.465 97.460 12.911 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 52.733 56.965 60.960 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 53.643 56.897 61.248 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 52.760 57.568 60.217 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 53.447 90.302 24.883 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 53.571 90.674 24.010 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 53.569 91.041 25.478 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 61.490 53.406 30.186 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 60.594 53.733 30.254 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 61.495 52.884 29.383 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 62.009 80.506 24.107 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 62.141 80.624 23.166 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 62.227 79.588 24.266 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 27.933 20.604 -18.095 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 27.354 20.728 -17.343 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 27.587 19.829 -18.538 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 25.218 2.594 34.140 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 25.629 1.823 34.532 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 25.407 3.304 34.754 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 51.568 75.304 33.049 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 51.860 74.447 33.359 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 51.266 75.147 32.155 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 38.154 96.672 15.462 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 39.096 96.507 15.420 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 37.917 96.477 16.369 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 82.892 56.132 64.309 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 83.700 56.208 64.817 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 82.375 55.477 64.778 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 89.917 77.221 14.417 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 89.789 76.648 15.174 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 89.505 78.047 14.670 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 85.014 26.265 14.693 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 84.813 27.072 15.166 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 84.665 26.409 13.814 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 61.929 4.116 13.246 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 61.130 4.644 13.229 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 61.719 3.347 12.714 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 86.206 77.574 41.509 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 85.870 76.912 40.905 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 86.228 77.134 42.359 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 45.317 27.181 28.413 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 45.969 27.860 28.246 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 44.858 27.078 27.580 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 61.347 66.583 40.913 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 60.522 66.653 40.432 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 61.916 66.068 40.341 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 31.315 36.048 20.170 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 31.843 36.597 19.590 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 30.423 36.381 20.070 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 77.951 57.581 63.688 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 77.321 56.903 63.447 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 78.203 57.367 64.586 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 27.177 5.266 8.806 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 28.050 5.095 8.452 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 26.637 4.553 8.465 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 61.063 84.053 35.043 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 61.051 84.720 34.356 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 60.537 83.336 34.689 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 33.725 93.452 44.553 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 34.346 92.744 44.725 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 33.940 93.750 43.669 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 89.376 86.632 46.175 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 90.226 86.521 46.601 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 88.789 86.049 46.656 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 73.663 68.426 30.944 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 73.449 69.354 30.850 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 72.824 68.003 31.124 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 64.126 81.605 37.191 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 64.750 81.031 37.635 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 63.551 81.008 36.712 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 79.834 28.816 22.958 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 80.177 29.676 23.201 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 79.052 28.708 23.500 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 56.874 88.996 -17.352 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 56.772 88.314 -18.016 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 56.443 89.764 -17.729 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 61.686 87.251 -15.849 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 61.045 86.552 -15.724 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 61.220 87.917 -16.356 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 69.212 33.696 50.938 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 69.077 34.234 50.157 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 69.207 34.321 51.663 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 58.339 68.879 61.583 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 58.265 67.928 61.501 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 57.746 69.224 60.916 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 47.875 39.538 -8.495 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 47.011 39.821 -8.196 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 48.432 39.609 -7.719 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 80.695 41.794 59.496 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 81.083 42.585 59.122 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 79.821 42.065 59.777 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 36.340 90.675 7.744 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 35.980 90.254 8.525 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 35.936 90.209 7.012 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 29.970 91.973 -16.204 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 30.522 91.963 -15.422 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 29.616 92.862 -16.236 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 72.588 85.552 31.283 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 71.735 85.654 30.860 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 72.392 85.122 32.116 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 55.982 3.304 43.206 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 56.602 3.017 42.536 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 56.509 3.824 43.813 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 83.523 90.563 -5.203 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 83.331 91.064 -5.995 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 83.946 89.765 -5.521 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 22.080 91.894 41.872 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 21.131 91.801 41.792 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 22.265 92.772 41.539 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 30.689 73.679 51.192 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 29.890 74.117 50.900 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 30.416 72.780 51.377 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 62.862 17.120 65.960 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 62.386 17.937 66.109 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 62.745 16.940 65.027 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 52.323 73.721 54.226 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 52.187 73.526 55.154 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 52.040 72.928 53.771 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 29.049 88.191 33.004 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 28.500 87.704 32.390 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 28.666 88.013 33.863 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 53.466 54.508 59.361 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 52.735 54.619 58.753 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 53.354 55.211 60.001 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 24.071 36.565 -3.201 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 24.494 36.656 -2.347 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 24.751 36.200 -3.768 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 42.353 78.313 12.833 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 42.870 77.676 12.340 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 41.527 77.863 13.012 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 46.195 96.326 10.818 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 46.577 96.642 11.637 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 45.581 95.643 11.087 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 52.533 18.526 15.110 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 52.045 18.763 14.321 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 51.926 18.700 15.829 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 27.013 92.089 19.256 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 26.485 91.774 18.522 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 26.868 91.445 19.949 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 59.987 77.272 6.013 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 59.186 76.757 6.108 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 60.649 76.780 6.498 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 71.417 93.134 -0.818 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 71.118 94.031 -0.672 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 70.613 92.617 -0.865 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 58.208 92.652 -5.381 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 58.548 93.485 -5.706 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 58.982 92.183 -5.068 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 52.941 82.433 7.896 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 52.184 82.001 8.292 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 53.693 81.924 8.199 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 73.694 44.555 41.087 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 73.644 43.600 41.043 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 74.632 44.748 41.072 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 58.339 78.953 44.718 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 57.440 78.696 44.516 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 58.569 78.438 45.491 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 32.018 44.137 18.216 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 32.258 43.220 18.085 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 32.672 44.630 17.720 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 23.584 85.607 39.566 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 23.736 84.917 40.212 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 22.749 85.998 39.825 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 64.129 18.044 22.952 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 64.345 18.971 23.051 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 63.320 18.039 22.440 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 76.299 67.530 30.336 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 76.359 68.023 29.518 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 75.411 67.696 30.652 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 65.594 64.086 16.631 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 64.691 63.836 16.434 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 66.090 63.825 15.855 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 63.345 0.568 10.342 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 63.924 0.285 11.049 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 63.689 1.420 10.076 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 45.577 29.755 -13.346 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 45.749 29.105 -12.666 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 45.514 30.586 -12.875 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 75.806 86.378 15.128 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 76.626 85.884 15.118 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 75.749 86.733 16.015 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 45.438 87.133 15.621 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 45.089 86.392 15.125 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 45.949 86.732 16.323 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 32.519 39.613 -0.767 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 32.884 38.731 -0.839 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 32.949 40.109 -1.463 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 33.369 46.100 12.915 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 34.133 46.645 12.730 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 33.442 45.893 13.847 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 45.099 67.551 -9.289 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 44.748 66.695 -9.534 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 45.012 67.583 -8.336 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 80.826 86.495 40.693 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 79.989 86.633 40.248 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 81.416 87.138 40.299 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 56.867 19.368 40.412 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 56.948 20.312 40.547 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 55.936 19.187 40.537 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 51.912 23.796 5.793 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 52.179 24.527 6.351 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 52.095 23.015 6.316 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 60.196 12.478 61.481 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 59.605 12.132 60.811 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 60.072 11.899 62.232 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 73.055 26.222 -3.011 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 73.061 26.985 -2.432 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 73.053 26.591 -3.894 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 24.371 80.595 38.732 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 24.641 79.926 38.103 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 23.827 80.126 39.364 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 67.678 80.442 16.983 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 68.300 80.095 17.622 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 68.044 80.197 16.133 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 69.773 70.059 42.347 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 70.398 70.392 41.703 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 69.314 69.352 41.893 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 57.566 95.093 -11.679 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 58.414 95.097 -11.235 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 57.552 94.267 -12.163 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 24.333 1.910 -18.732 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 23.760 1.509 -18.077 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 25.207 1.585 -18.516 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 39.609 64.556 60.552 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 40.316 65.090 60.189 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 39.878 64.382 61.454 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 87.110 73.164 65.443 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 86.504 73.904 65.487 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 86.632 72.491 64.959 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 41.400 84.244 6.060 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 41.424 85.031 6.604 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 41.059 84.544 5.218 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 64.936 68.099 2.878 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 65.315 68.124 1.999 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 65.691 68.108 3.465 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 51.542 25.047 -15.438 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 51.948 24.912 -14.583 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 51.776 25.945 -15.676 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 22.782 24.695 35.044 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 22.783 24.230 34.207 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 23.596 24.426 35.469 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 64.285 91.693 -15.283 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 63.684 90.988 -15.524 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 65.126 91.429 -15.655 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 58.820 84.869 31.883 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 58.018 85.235 32.256 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 58.691 83.921 31.920 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 87.100 16.085 -11.145 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 86.551 16.264 -10.382 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 87.910 16.566 -10.977 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 60.872 85.985 -2.312 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 60.029 85.710 -2.672 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 61.457 86.017 -3.069 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 74.707 94.798 8.661 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 75.045 95.683 8.803 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 74.601 94.732 7.712 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 61.437 17.109 15.751 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 61.301 18.027 15.985 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 61.059 16.618 16.481 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 57.908 93.811 3.055 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 57.643 92.895 3.138 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 58.598 93.921 3.709 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 86.646 12.429 47.774 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 85.965 11.757 47.785 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 87.086 12.339 48.620 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 72.677 95.602 24.828 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 73.123 95.963 24.062 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 71.745 95.691 24.626 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 55.713 9.975 36.657 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 55.389 9.537 37.444 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 56.648 10.102 36.821 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 50.496 12.713 -12.171 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 49.740 12.530 -11.613 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 50.391 13.631 -12.423 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 80.356 82.048 5.668 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 80.706 81.164 5.557 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 80.334 82.410 4.782 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 41.632 1.153 30.415 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 42.524 1.130 30.071 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 41.736 1.384 31.338 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 71.958 67.670 -9.705 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 72.297 67.236 -10.488 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 71.887 68.592 -9.954 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 48.127 47.049 2.739 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 48.896 46.672 2.311 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 48.394 47.939 2.970 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 63.696 3.562 28.013 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 62.925 3.738 27.474 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 64.369 4.150 27.669 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 71.410 84.975 53.098 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 71.196 85.053 52.168 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 70.696 85.426 53.547 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 43.246 21.435 35.960 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 44.126 21.331 35.597 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 43.246 22.312 36.344 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 26.751 39.976 9.969 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 26.175 40.568 9.485 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 26.384 39.954 10.853 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 63.962 55.663 36.558 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 63.337 55.599 35.836 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 64.505 54.879 36.476 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 60.048 69.099 24.560 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 59.345 69.598 24.145 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 59.938 68.207 24.230 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 29.246 54.969 51.461 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 29.008 55.404 50.642 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 28.409 54.712 51.848 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 61.536 45.795 11.578 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 60.896 45.102 11.746 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 61.515 46.337 12.366 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 35.946 84.720 -4.815 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 36.628 84.668 -5.484 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 35.576 83.838 -4.780 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 52.186 67.489 51.068 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 51.420 67.840 50.614 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 52.722 67.106 50.373 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 21.604 71.829 -18.454 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 22.246 72.449 -18.108 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 20.960 71.734 -17.752 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 59.020 77.088 16.680 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 59.536 76.360 17.025 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 59.315 77.849 17.180 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 22.413 73.313 15.194 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 22.293 73.110 14.267 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 23.321 73.610 15.259 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 43.175 25.554 -3.682 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 42.907 26.252 -4.280 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 44.129 25.527 -3.757 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 55.140 83.546 13.269 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 55.055 82.595 13.203 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 55.485 83.696 14.149 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 40.629 64.258 -20.002 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 39.889 64.348 -19.401 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 41.395 64.196 -19.431 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 26.839 72.072 4.677 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 27.145 72.219 5.572 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 25.984 71.654 4.781 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 49.994 0.314 24.354 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 49.626 0.545 25.207 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 49.554 0.898 23.736 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 23.299 28.046 38.900 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 22.929 27.376 39.475 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 22.642 28.164 38.214 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 63.614 85.591 38.348 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 63.412 86.115 39.123 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 62.819 85.080 38.191 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 71.377 57.986 27.541 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 70.942 58.827 27.399 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 70.688 57.334 27.409 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 89.154 71.126 52.294 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 89.957 70.992 51.790 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 88.736 70.265 52.313 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 21.680 19.967 59.054 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 22.539 19.577 58.894 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 21.686 20.188 59.985 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 57.188 58.947 19.611 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 56.673 58.149 19.729 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 56.601 59.547 19.152 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 49.423 59.314 4.378 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 50.184 58.753 4.226 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 49.748 60.009 4.951 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 48.058 75.126 5.217 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 48.958 74.817 5.314 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 47.528 74.473 5.675 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 84.247 77.955 -1.866 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 84.651 77.296 -2.431 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 83.309 77.884 -2.046 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 87.804 23.764 3.555 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 87.868 24.148 2.680 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 88.712 23.669 3.842 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 54.482 85.735 39.508 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 55.063 85.825 40.264 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 55.026 85.329 38.834 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 30.993 18.552 53.231 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 31.172 18.103 54.057 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 31.015 19.483 53.454 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 26.905 83.428 58.410 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 26.351 83.298 57.641 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 26.415 84.041 58.958 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 82.293 21.384 -4.030 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 82.676 22.144 -3.593 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 81.583 21.745 -4.560 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 62.814 48.132 60.024 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 62.853 49.040 59.724 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 63.637 47.745 59.725 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 29.094 66.248 29.104 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 28.981 67.147 28.793 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 30.027 66.069 28.987 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 55.151 96.367 24.154 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 54.291 95.959 24.045 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 55.440 96.090 25.023 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 65.691 60.710 39.198 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 65.177 60.184 39.811 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 65.387 60.436 38.333 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 20.687 65.515 61.026 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 20.913 64.638 60.716 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 21.028 66.103 60.352 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 88.872 15.903 -16.646 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 89.436 16.642 -16.419 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 89.103 15.222 -16.014 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 62.247 25.654 65.559 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 62.953 25.917 64.968 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 61.670 25.114 65.019 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 49.445 35.773 52.165 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 49.219 36.463 52.788 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 48.649 35.246 52.091 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 88.506 36.245 20.989 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 87.799 36.086 21.614 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 89.023 35.439 21.002 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 82.885 81.205 -19.399 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 82.698 81.963 -19.953 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 83.302 81.575 -18.621 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 30.045 21.893 42.660 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 30.368 22.766 42.434 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 29.138 21.887 42.355 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 24.888 93.301 30.221 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 25.199 92.402 30.328 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 25.673 93.839 30.321 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 60.654 89.184 25.854 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 60.908 88.310 26.152 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 61.410 89.497 25.357 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 83.509 58.392 56.266 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 83.127 57.516 56.227 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 83.345 58.685 57.163 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 45.511 91.772 10.144 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 44.857 92.183 9.578 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 46.348 91.963 9.721 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 59.848 21.982 -4.853 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 59.297 21.717 -4.116 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 60.522 22.538 -4.462 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 73.045 53.661 13.778 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 72.301 53.162 13.442 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 73.508 53.047 14.348 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 75.417 2.904 39.490 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 75.195 2.053 39.868 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 76.094 3.254 40.069 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 66.101 39.521 -12.182 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 66.895 39.268 -12.653 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 65.453 38.863 -12.431 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 34.767 37.632 2.672 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 34.510 38.471 2.289 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 34.780 37.792 3.615 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 80.500 10.242 59.837 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 80.398 10.990 60.425 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 79.612 10.053 59.533 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 87.156 76.418 31.093 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 87.744 76.079 30.418 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 86.383 75.855 31.042 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 73.445 64.197 42.063 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 73.461 65.075 41.683 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 73.415 63.609 41.308 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 24.557 7.843 66.182 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 25.273 8.102 66.762 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 23.836 7.626 66.774 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 63.805 75.896 -6.302 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 64.089 76.156 -5.426 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 64.529 76.151 -6.875 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 80.148 1.583 54.501 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 80.987 1.983 54.274 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 79.904 1.078 53.726 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 39.034 84.661 15.875 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 39.277 85.349 16.495 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 38.614 83.990 16.413 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 30.256 89.140 -3.870 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 29.328 89.252 -4.077 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 30.260 88.673 -3.035 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 69.743 80.658 36.331 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 70.052 79.892 35.847 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 69.467 81.275 35.654 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 67.756 14.549 -14.435 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 68.121 15.373 -14.758 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 66.936 14.799 -14.011 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 33.371 87.039 18.245 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 33.628 86.130 18.397 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 34.191 87.491 18.048 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 71.160 78.411 5.726 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 70.371 78.938 5.850 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 71.393 78.117 6.607 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 66.431 72.089 56.251 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 65.656 72.564 56.551 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 66.215 71.815 55.359 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 67.836 64.080 -6.197 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 67.698 64.801 -5.583 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 67.496 63.309 -5.742 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 85.270 23.560 9.167 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 84.788 24.355 8.939 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 85.849 23.828 9.881 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 30.148 65.748 65.767 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 30.553 65.590 66.620 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 29.229 65.513 65.889 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 29.044 56.772 7.090 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 29.798 56.183 7.079 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 29.303 57.483 7.675 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 23.662 82.672 21.863 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 23.003 82.294 22.445 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 24.301 83.073 22.452 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 46.428 64.058 -9.149 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 46.468 63.806 -8.226 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 47.085 64.748 -9.237 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 74.133 78.978 42.981 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 74.476 79.430 42.210 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 73.200 78.867 42.799 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 31.690 34.177 52.517 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 31.592 35.126 52.443 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 31.124 33.823 51.831 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 61.378 84.086 37.639 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 61.701 83.901 36.757 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 60.505 83.694 37.662 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 58.419 22.312 50.664 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 57.544 22.701 50.674 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 58.476 21.872 49.815 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 43.169 73.010 -3.418 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 42.867 72.877 -2.519 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 43.409 72.135 -3.722 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 25.878 70.400 1.607 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 26.481 71.024 2.012 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 26.239 69.541 1.826 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 90.087 54.105 35.386 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 89.571 53.749 36.109 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 89.486 54.692 34.928 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 67.382 82.594 49.557 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 67.627 83.507 49.409 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 66.995 82.312 48.729 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 43.001 25.130 43.590 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 42.434 25.829 43.267 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 43.824 25.569 43.807 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 25.748 54.535 9.544 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 25.360 54.867 10.353 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 25.999 55.321 9.058 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 20.132 61.698 10.087 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 21.009 62.056 10.217 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 19.661 61.917 10.890 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 60.515 90.976 -5.348 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 60.141 90.117 -5.542 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 61.020 91.201 -6.130 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 71.520 33.453 24.964 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 72.079 34.227 24.907 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 71.275 33.267 24.057 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 25.095 44.684 54.018 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 25.767 45.076 54.576 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 25.377 44.884 53.126 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 44.167 12.207 27.685 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 44.577 11.482 28.157 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 43.512 11.789 27.126 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 52.093 92.468 -15.746 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 51.594 91.803 -16.221 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 52.948 92.064 -15.596 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 32.583 32.984 38.787 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 32.288 33.864 38.550 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 32.498 32.951 39.740 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 74.289 81.863 8.584 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 74.880 82.614 8.641 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 74.735 81.251 7.998 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 51.729 22.563 18.585 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 51.091 23.081 18.094 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 52.345 23.207 18.933 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 66.762 13.426 57.714 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 66.408 14.005 58.389 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 67.530 13.025 58.120 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 33.620 89.066 24.591 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 33.754 89.000 23.646 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 34.504 89.105 24.956 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 32.116 56.506 19.136 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 32.435 55.937 19.837 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 32.895 56.712 18.621 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 60.302 78.886 18.937 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 61.119 78.490 18.633 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 60.325 79.778 18.592 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 77.863 55.559 60.157 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 78.262 55.357 59.310 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 76.980 55.860 59.940 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 21.211 92.170 16.270 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 22.079 92.268 15.878 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 21.170 92.857 16.935 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 33.324 70.930 21.517 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 33.946 70.753 20.811 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 33.359 70.148 22.069 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 68.464 60.837 52.006 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 68.560 61.209 51.129 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 67.842 61.417 52.445 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 44.702 0.581 18.930 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 45.044 0.403 18.054 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 44.539 -0.285 19.304 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 41.573 37.724 -13.772 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 41.682 38.577 -14.192 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 40.900 37.868 -13.107 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 73.014 95.969 -3.837 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 73.597 96.712 -3.995 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 72.550 95.849 -4.665 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 74.222 66.346 63.542 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 73.902 66.152 62.662 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 73.548 66.908 63.925 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 75.574 58.621 28.540 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 76.057 59.366 28.899 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 75.412 58.858 27.627 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 36.509 91.157 19.729 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 37.216 90.697 20.182 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 35.733 90.989 20.264 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 72.322 19.353 55.100 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 71.616 19.830 54.663 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 72.076 19.353 56.025 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 50.404 33.814 60.108 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 50.946 33.194 60.597 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 50.134 34.461 60.760 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 90.292 77.066 46.850 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 89.577 77.652 47.100 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 89.922 76.187 46.936 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 74.467 50.081 -12.712 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 74.167 49.224 -12.410 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 74.421 50.639 -11.936 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 65.454 11.529 -6.450 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 65.805 12.414 -6.357 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 65.351 11.410 -7.394 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 85.979 16.341 -8.200 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 86.456 15.521 -8.070 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 85.132 16.196 -7.778 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 34.593 76.205 4.547 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 35.159 76.906 4.223 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 34.825 76.118 5.472 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 80.295 71.391 4.458 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 79.415 71.031 4.574 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 80.831 70.924 5.100 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 47.221 14.241 63.402 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 46.347 14.312 63.784 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 47.076 13.846 62.542 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 74.536 48.196 42.887 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 73.715 48.380 42.429 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 74.465 48.680 43.710 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 20.841 16.850 7.882 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 21.354 16.341 7.254 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 20.204 17.322 7.345 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 42.506 82.710 46.207 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 41.551 82.783 46.211 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 42.811 83.535 46.586 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 68.739 40.630 63.022 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 69.326 41.112 63.605 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 68.648 41.194 62.254 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 56.152 75.786 -4.082 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 56.467 75.322 -4.859 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 55.661 75.127 -3.592 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 81.936 54.745 -19.525 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 81.857 54.250 -20.341 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 81.088 54.637 -19.095 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 47.702 75.405 17.127 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 46.949 74.832 16.983 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 48.229 74.948 17.782 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 71.604 89.181 52.553 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 71.439 88.914 53.458 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 72.121 88.465 52.183 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 41.791 27.875 13.256 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 42.653 28.276 13.145 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 41.975 26.950 13.417 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 23.636 88.549 -5.975 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 24.564 88.319 -6.010 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 23.400 88.736 -6.883 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 30.797 20.776 -17.690 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 29.857 20.655 -17.826 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 30.918 21.726 -17.685 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 23.341 8.561 5.226 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 23.533 8.322 4.319 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 22.960 9.437 5.167 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 57.809 7.854 15.822 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 56.928 7.814 16.195 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 57.732 7.407 14.979 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 24.139 45.992 13.751 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 24.732 46.261 14.453 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 24.305 45.055 13.643 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 30.016 24.330 13.789 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 29.721 25.240 13.752 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 29.771 24.035 14.666 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 29.963 75.329 7.458 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 29.734 74.983 8.321 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 30.631 75.991 7.633 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 43.642 38.131 49.595 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 42.793 38.542 49.429 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 44.252 38.864 49.676 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 52.996 81.585 33.896 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 53.051 80.812 33.333 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 52.997 81.234 34.786 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 45.101 26.987 -12.543 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 45.898 27.294 -12.110 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 45.283 26.072 -12.758 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 67.245 90.377 42.915 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 67.351 89.469 42.629 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 67.678 90.894 42.235 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 27.582 21.082 -1.279 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 26.885 21.434 -1.832 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 27.738 21.764 -0.625 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 47.855 72.968 41.900 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 48.265 73.807 41.690 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 47.185 72.853 41.226 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 50.031 34.423 6.160 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 50.517 34.589 6.967 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 49.335 35.081 6.160 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 89.078 71.124 -19.164 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 88.338 70.693 -19.592 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 89.328 70.527 -18.458 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 90.324 65.863 1.328 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 90.772 65.111 0.940 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 90.832 66.621 1.037 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 87.327 89.033 41.846 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 87.763 88.676 42.620 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 88.038 89.200 41.226 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 30.625 60.150 63.053 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 31.286 60.411 62.412 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 30.583 60.884 63.666 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 61.795 76.958 -7.775 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 62.537 76.607 -7.283 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 61.592 77.788 -7.344 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 46.023 15.571 50.529 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 45.870 15.099 49.710 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 45.579 15.045 51.195 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 50.932 87.434 27.564 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 50.223 88.038 27.786 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 51.682 87.747 28.071 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 41.078 56.467 61.287 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 41.862 56.834 61.696 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 40.446 56.398 62.002 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 28.438 66.338 3.758 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 28.131 66.171 4.649 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 28.989 65.583 3.549 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 74.990 92.479 19.419 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 75.032 91.561 19.151 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 74.085 92.604 19.705 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 60.083 84.856 24.156 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 59.281 84.383 23.934 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 60.753 84.175 24.218 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 54.912 73.398 -3.206 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 54.459 72.578 -3.404 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 55.807 73.134 -2.995 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 32.890 70.476 8.330 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 32.465 71.193 8.801 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 33.215 70.878 7.525 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 81.027 3.567 -0.852 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 80.185 3.143 -0.684 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 81.192 4.092 -0.068 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 77.808 49.517 7.606 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 76.858 49.394 7.610 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 78.019 49.783 8.501 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 47.726 5.654 28.347 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 47.239 5.802 27.537 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 47.310 4.886 28.740 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 85.661 60.506 24.032 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 86.047 59.775 23.548 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 84.777 60.590 23.673 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 77.381 44.444 -1.895 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 76.939 44.485 -1.046 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 77.761 43.566 -1.925 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 40.047 86.042 -6.194 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 39.931 86.969 -5.985 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 39.424 85.589 -5.626 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 38.860 18.994 51.182 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 39.140 18.177 51.594 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 38.164 18.733 50.578 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 69.056 97.031 24.916 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 69.198 96.410 25.630 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 68.130 96.933 24.693 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 41.952 64.455 0.117 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 42.254 63.934 0.860 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 41.309 65.057 0.491 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 24.516 38.138 33.146 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 25.168 38.835 33.078 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 24.399 38.011 34.088 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 89.719 78.378 -0.407 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 89.976 78.035 0.449 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 90.543 78.641 -0.817 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 54.163 30.778 20.345 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 54.346 31.609 19.908 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 53.225 30.807 20.534 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 69.777 60.157 19.782 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 70.419 59.450 19.848 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 69.129 59.958 20.457 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 41.248 60.346 11.251 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 41.948 60.971 11.440 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 41.362 59.654 11.903 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 77.636 3.297 -17.564 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 77.857 3.698 -18.404 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 76.689 3.410 -17.486 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 29.667 9.272 54.502 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 29.908 8.518 55.040 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 29.309 9.906 55.124 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 88.838 94.538 23.158 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 88.262 94.063 22.560 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 88.974 93.936 23.890 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 37.020 94.030 -18.729 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 36.279 94.343 -19.247 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 37.139 93.121 -19.006 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 39.890 80.770 14.845 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 39.308 80.710 15.603 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 40.583 80.135 15.024 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 36.561 73.146 50.544 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 36.027 73.361 51.308 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 37.443 73.023 50.895 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 74.487 53.165 58.437 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 73.680 53.672 58.525 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 74.237 52.272 58.676 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 67.716 77.987 -19.247 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 67.536 77.675 -18.361 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 68.440 78.605 -19.142 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 21.020 17.921 40.074 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 20.904 17.056 40.466 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 20.641 17.840 39.199 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 65.323 92.248 48.656 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 65.013 92.149 49.556 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 66.176 91.813 48.646 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 87.094 34.265 26.258 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 87.823 34.043 25.678 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 87.226 35.190 26.466 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 47.644 0.561 0.846 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 48.226 1.182 0.408 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 47.259 0.050 0.134 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 63.835 62.615 41.459 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 64.169 62.126 40.706 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 62.903 62.397 41.492 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 63.756 79.248 56.259 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 63.210 79.530 55.526 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 63.962 78.333 56.067 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 81.716 64.870 39.167 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 80.850 65.272 39.233 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 81.947 64.647 40.069 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 65.235 53.805 23.300 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 64.433 53.307 23.140 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 65.328 53.809 24.253 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 24.720 86.001 -9.834 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 24.018 86.009 -10.486 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 24.393 86.551 -9.123 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 34.047 3.212 -7.027 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 33.273 3.106 -7.580 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 34.767 3.344 -7.644 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 44.887 11.916 50.909 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 45.366 12.210 51.684 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 44.355 12.671 50.655 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 65.208 90.905 0.701 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 65.384 90.496 -0.146 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 64.357 91.330 0.590 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 76.757 92.634 14.118 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 76.327 93.380 14.537 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 76.972 92.044 14.840 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 56.078 74.335 38.558 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 56.669 74.572 37.843 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 55.465 75.068 38.615 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 70.140 60.653 45.704 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 69.943 60.256 44.855 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 70.919 61.186 45.545 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 68.438 72.004 35.759 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 68.495 72.465 34.922 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 67.553 71.640 35.772 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 74.082 13.763 -15.963 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 73.716 12.901 -16.161 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 73.452 14.158 -15.360 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 24.574 11.956 52.167 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 24.950 11.297 51.583 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 23.656 12.012 51.904 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 26.287 7.717 9.534 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 25.892 7.464 10.369 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 26.579 6.892 9.147 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 48.966 82.714 56.364 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 49.675 82.461 56.956 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 48.340 83.175 56.922 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 59.119 29.396 8.194 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 59.320 30.107 8.804 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 59.958 28.958 8.051 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 40.785 79.873 31.788 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 41.097 80.766 31.639 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 41.570 79.330 31.717 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 75.864 3.221 52.669 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 75.726 2.905 51.776 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 75.004 3.534 52.948 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 56.665 96.457 -1.663 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 57.292 96.291 -0.960 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 57.047 96.031 -2.431 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 20.090 84.030 18.079 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 20.697 84.286 18.773 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 19.979 84.822 17.553 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 79.767 71.168 52.616 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 79.378 70.300 52.724 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 79.174 71.757 53.082 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 54.896 74.303 5.257 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 54.298 73.725 5.731 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 55.729 73.831 5.248 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 55.187 63.008 60.737 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 55.029 63.170 61.667 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 55.375 62.071 60.685 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 74.813 85.893 29.813 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 74.023 85.812 30.347 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 75.211 85.022 29.840 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 76.675 -0.151 33.982 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 77.476 0.368 34.054 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 75.994 0.407 34.358 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 86.188 42.804 53.034 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 85.347 42.911 53.479 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 86.509 43.698 52.910 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 88.164 60.123 19.625 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 88.834 59.443 19.560 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 88.536 60.871 19.157 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 71.530 43.701 48.833 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 71.548 44.026 47.933 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 72.194 43.011 48.852 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 49.136 89.198 44.528 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 49.917 89.147 43.977 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 49.102 88.352 44.974 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 48.481 17.812 0.790 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 47.558 17.874 0.546 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 48.757 18.719 0.918 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 22.957 72.402 9.780 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 23.595 71.688 9.777 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 23.483 73.193 9.890 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 48.575 92.469 15.111 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 47.982 93.087 14.683 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 49.335 92.997 15.356 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 43.792 55.451 33.436 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 43.029 55.575 34.000 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 44.507 55.889 33.899 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 70.014 36.348 -0.091 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 70.915 36.648 -0.217 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 69.893 36.347 0.859 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 80.647 3.108 3.644 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 80.314 2.485 2.998 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 80.112 3.892 3.520 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 86.155 67.931 45.835 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 85.604 67.922 45.052 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 86.940 68.409 45.571 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 55.802 72.926 23.456 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 56.693 73.181 23.216 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 55.496 73.633 24.025 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 31.492 19.631 57.932 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 30.910 20.227 58.404 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 31.754 20.119 57.152 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 41.437 0.381 40.714 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 41.782 0.529 39.834 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 41.183 1.252 41.022 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 76.803 83.296 -13.067 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 76.657 84.173 -13.422 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 76.115 83.187 -12.410 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 59.968 3.522 27.810 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 59.558 2.709 28.105 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 60.451 3.838 28.573 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 75.471 50.384 51.730 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 75.298 51.004 51.022 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 74.961 50.715 52.470 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 41.263 47.673 28.315 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 41.999 47.198 27.929 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 41.395 48.582 28.045 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 20.333 54.751 47.658 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 20.617 54.126 46.992 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 21.143 55.150 47.974 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 28.377 55.057 56.204 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 27.742 54.362 56.374 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 28.837 55.171 57.036 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 51.019 48.641 -8.551 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 50.956 49.360 -9.180 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 51.904 48.711 -8.194 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 70.922 0.370 8.420 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 70.306 0.117 9.108 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 70.373 0.517 7.649 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 85.198 49.225 15.591 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 84.603 48.491 15.436 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 84.976 49.862 14.911 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 52.865 35.807 42.047 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 52.519 36.056 42.904 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 52.317 35.072 41.772 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 61.475 53.681 61.290 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 60.990 54.281 60.723 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 61.647 54.188 62.083 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 89.673 46.302 47.150 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 89.066 45.699 46.720 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 89.732 47.049 46.554 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 60.140 40.118 -4.400 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 60.883 40.130 -3.797 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 59.804 41.014 -4.386 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 45.931 11.094 -1.535 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 46.693 11.589 -1.234 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 45.292 11.763 -1.781 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 30.681 41.181 -8.406 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 30.248 41.250 -9.256 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 30.410 41.968 -7.934 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 40.034 57.913 15.258 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 40.909 58.166 14.963 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 39.902 58.406 16.067 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 74.636 47.150 58.118 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 74.905 48.069 58.139 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 74.387 46.994 57.207 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 29.791 63.624 -2.010 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 29.321 64.456 -1.965 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 29.768 63.286 -1.114 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 63.572 85.014 47.383 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 63.067 85.674 47.857 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 62.912 84.457 46.970 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 61.681 81.565 3.919 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 61.606 81.090 3.091 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 60.978 81.210 4.463 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 58.774 71.959 -2.444 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 58.516 71.197 -1.926 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 58.992 72.628 -1.796 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 38.162 94.224 51.951 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 37.326 94.018 51.532 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 38.763 94.381 51.223 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 75.273 97.028 -12.476 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 75.213 96.639 -13.348 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 75.139 96.293 -11.876 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 53.912 53.539 51.003 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 54.009 53.050 50.186 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 53.033 53.916 50.953 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 82.086 30.558 -10.086 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 82.286 30.490 -11.019 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 82.936 30.687 -9.666 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 52.533 53.895 -13.080 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 53.426 54.201 -12.921 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 52.241 53.556 -12.234 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 87.050 66.717 9.472 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 86.661 67.194 8.738 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 86.481 65.956 9.591 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 83.467 93.535 3.658 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 82.522 93.686 3.630 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 83.668 93.121 2.819 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 20.915 52.512 5.064 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 21.091 52.421 6.001 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 20.721 51.623 4.768 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 74.233 50.308 39.325 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 73.985 49.570 39.881 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 73.416 50.577 38.904 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 82.349 51.013 25.225 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 83.140 51.509 25.012 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 81.680 51.365 24.638 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 53.239 24.576 33.299 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 53.227 24.652 32.345 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 53.194 23.634 33.465 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 44.552 87.448 -14.415 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 45.421 87.187 -14.719 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 44.657 88.361 -14.145 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 60.537 59.143 24.107 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 59.849 59.780 24.297 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 60.303 58.784 23.252 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 25.668 50.804 17.877 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 25.459 51.349 18.635 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 25.219 51.228 17.145 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 89.109 65.586 6.243 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 88.888 64.667 6.088 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 88.278 65.994 6.487 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 89.162 42.012 48.519 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 89.787 42.291 49.188 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 89.430 42.482 47.730 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 55.883 71.570 28.288 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 56.140 71.406 27.381 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 55.314 70.833 28.513 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 51.945 68.340 31.839 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 52.362 69.098 32.249 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 52.665 67.734 31.667 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 85.297 35.589 29.083 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 84.741 35.634 28.306 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 85.745 34.746 29.010 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 75.136 86.185 47.785 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 75.567 85.410 47.426 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 74.807 86.653 47.018 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 24.130 70.683 12.460 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 24.314 71.524 12.879 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 23.360 70.349 12.921 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 21.237 77.059 5.733 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 20.420 77.194 5.253 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 21.808 77.768 5.438 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 79.211 92.342 -8.933 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 78.600 92.996 -9.270 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 78.722 91.888 -8.246 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 79.535 30.018 25.955 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 80.311 30.036 26.515 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 79.333 30.940 25.794 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 27.121 6.084 51.873 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 26.755 6.952 51.704 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 26.922 5.582 51.083 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 80.755 65.723 23.450 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 79.989 66.115 23.031 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 80.404 64.987 23.951 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 83.152 73.412 36.718 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 83.328 73.234 37.642 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 83.397 72.604 36.268 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 35.896 60.555 19.526 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 36.064 61.168 20.241 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 36.593 60.726 18.894 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 68.678 34.127 64.774 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 68.825 34.542 63.924 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 68.018 34.676 65.198 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 30.419 90.538 0.903 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 29.576 90.260 1.262 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 30.202 90.937 0.061 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 32.906 18.134 21.182 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 33.278 17.617 21.897 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 33.667 18.462 20.703 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 64.375 71.971 -8.404 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 63.960 72.725 -8.825 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 64.679 71.428 -9.132 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 35.831 80.454 33.856 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 35.146 79.888 34.212 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 36.612 80.233 34.363 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 44.808 75.023 45.635 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 45.071 74.460 46.363 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 44.864 74.459 44.864 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 62.377 55.607 -4.872 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 61.889 56.150 -4.254 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 62.590 54.814 -4.380 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 62.445 52.547 23.148 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 61.650 52.014 23.129 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 62.190 53.371 22.732 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 57.153 19.835 24.649 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 56.425 20.437 24.496 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 57.929 20.322 24.374 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 32.573 75.396 43.006 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 32.519 74.442 43.062 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 33.227 75.560 42.326 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 27.444 21.952 5.375 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 28.236 21.869 5.907 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 27.626 22.685 4.786 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 87.224 79.586 0.056 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 88.005 79.188 -0.328 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 86.747 78.853 0.445 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 38.327 77.792 -14.505 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 37.707 77.596 -13.803 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 38.713 76.945 -14.728 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 67.584 67.626 64.563 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 68.482 67.451 64.281 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 67.415 66.974 65.243 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 77.427 59.224 19.216 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 77.000 59.846 19.805 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 77.549 59.711 18.401 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 73.238 6.646 67.319 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 73.830 7.384 67.465 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 72.369 7.043 67.262 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 71.646 59.813 35.126 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 70.713 59.931 34.947 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 72.084 60.416 34.524 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 28.275 49.043 -7.746 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 27.854 48.586 -7.019 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 28.186 49.971 -7.529 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 27.035 25.369 36.265 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 27.459 26.227 36.292 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 27.592 24.845 35.689 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 90.375 43.605 52.108 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 90.104 43.827 52.999 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 90.043 42.718 51.970 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 55.006 16.431 60.521 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 54.912 17.153 59.899 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 55.893 16.528 60.868 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 77.235 2.632 -3.954 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 78.184 2.517 -3.994 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 77.020 3.133 -4.741 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 44.082 82.093 -12.738 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 43.938 82.497 -11.883 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 44.753 81.429 -12.580 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 39.558 95.321 5.018 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 40.065 94.537 4.805 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 39.393 95.252 5.958 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 45.871 68.541 -19.425 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 45.584 68.707 -20.323 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 45.910 69.408 -19.021 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 38.690 69.014 31.594 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 39.480 69.147 32.118 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 38.943 69.274 30.708 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 70.393 62.181 1.971 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 70.393 62.719 2.762 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 69.651 62.505 1.461 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 57.995 4.383 39.038 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 58.296 4.257 38.138 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 57.104 4.722 38.948 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 52.834 7.580 29.573 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 52.161 7.974 29.018 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 53.645 8.019 29.317 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 82.690 41.442 38.936 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 83.053 40.558 38.888 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 81.901 41.349 39.470 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 25.408 8.630 58.135 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 25.828 9.484 58.029 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 24.478 8.801 57.988 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 27.516 8.074 -11.055 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 27.334 9.014 -11.063 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 28.448 8.013 -10.846 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 22.162 17.004 50.325 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 22.297 17.831 49.862 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 23.040 16.636 50.422 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 75.987 71.574 36.790 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 76.851 71.163 36.750 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 75.694 71.605 35.879 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 90.485 89.342 -7.735 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 91.001 89.701 -7.013 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 90.261 90.102 -8.271 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 67.512 68.635 -4.390 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 68.272 68.321 -4.880 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 66.846 68.797 -5.059 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 69.979 80.039 14.595 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 70.222 80.614 13.869 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 69.140 79.661 14.333 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 46.165 15.615 31.323 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 45.781 15.579 30.447 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 46.953 16.148 31.219 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 32.910 0.460 24.894 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 32.252 0.824 24.301 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 33.107 1.173 25.501 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 89.992 74.316 47.376 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 90.528 73.555 47.601 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 89.115 73.958 47.236 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 32.834 83.044 28.630 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 33.325 83.653 28.078 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 31.915 83.237 28.440 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 59.045 79.938 -14.897 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 59.357 79.577 -15.727 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 59.615 79.545 -14.236 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 63.677 14.768 10.295 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 64.184 15.173 9.591 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 63.993 13.865 10.329 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 85.135 0.187 31.225 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 84.943 0.511 30.345 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 85.104 -0.766 31.141 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 32.514 34.133 15.058 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 33.417 33.816 15.023 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 32.545 34.880 15.656 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 30.208 29.139 -13.442 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 30.558 29.145 -14.333 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 29.456 28.549 -13.483 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 81.145 95.780 56.411 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 81.661 96.150 57.127 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 81.124 96.471 55.749 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 67.422 3.396 -13.861 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 68.267 3.349 -13.413 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 67.033 4.215 -13.554 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 83.873 14.711 -6.023 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 84.663 14.464 -5.542 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 83.483 15.412 -5.501 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 84.686 42.707 35.095 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 85.440 42.241 35.457 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 83.956 42.095 35.193 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 57.058 29.542 6.335 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 57.652 29.203 7.006 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 57.186 30.490 6.358 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 41.316 14.932 15.810 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 41.802 15.377 15.116 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 40.964 15.640 16.349 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 25.917 90.028 20.910 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 26.804 89.759 21.149 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 25.782 89.661 20.037 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 42.327 15.800 2.906 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 42.059 15.829 3.825 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 41.508 15.705 2.420 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 67.373 82.647 38.392 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 66.444 82.514 38.580 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 67.405 82.824 37.452 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 29.795 17.153 31.235 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 30.702 16.849 31.245 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 29.313 16.457 30.790 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 25.817 39.537 38.173 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 26.405 38.782 38.192 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 25.021 39.211 37.753 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 71.776 54.082 -10.848 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 71.031 53.714 -11.323 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 72.517 53.530 -11.100 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 29.972 78.882 14.060 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 30.846 79.205 13.839 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 29.466 78.989 13.255 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 71.659 61.245 55.894 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 70.933 61.005 56.470 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 71.237 61.621 55.120 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 54.022 15.332 44.537 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 53.724 15.897 43.824 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 53.824 15.826 45.333 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 86.984 40.766 14.829 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 86.466 39.969 14.713 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 87.826 40.458 15.163 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 81.597 0.933 -3.144 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 81.099 1.006 -2.329 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 82.508 0.854 -2.861 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 60.560 86.560 26.501 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 60.288 85.923 27.162 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 60.457 86.100 25.668 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 44.439 10.451 44.904 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 43.787 9.819 44.601 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 45.245 10.197 44.455 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 60.862 87.737 57.144 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 60.838 86.823 56.862 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 60.338 87.755 57.945 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 89.486 21.518 -15.226 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 89.994 21.248 -14.461 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 89.545 20.775 -15.827 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 81.125 85.770 25.423 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 80.981 84.913 25.826 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 81.750 85.601 24.718 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 86.073 82.375 19.412 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 86.756 81.991 18.863 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 85.517 81.636 19.657 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 34.741 82.619 41.607 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 35.215 81.856 41.937 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 35.425 83.263 41.422 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 89.641 78.071 31.562 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 89.687 78.474 30.695 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 89.129 77.273 31.429 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 30.288 75.845 -5.263 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 31.241 75.794 -5.183 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 29.959 75.232 -4.606 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 42.872 53.123 16.652 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 42.445 53.752 17.234 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 43.781 53.418 16.606 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 75.556 32.297 65.292 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 74.618 32.191 65.132 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 75.815 33.023 64.725 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 74.299 61.352 12.209 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 74.586 61.116 11.327 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 74.570 60.614 12.755 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 90.530 59.062 15.737 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 91.242 59.012 16.376 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 89.745 58.833 16.235 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 51.675 72.427 5.636 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 51.275 72.479 6.504 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 52.187 71.618 5.656 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 80.346 70.495 38.188 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 80.186 69.599 37.892 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 79.974 71.045 37.498 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 89.726 26.570 36.399 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 88.866 26.872 36.690 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 89.981 27.191 35.717 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 69.850 3.499 60.911 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 69.018 3.956 60.788 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 70.294 3.578 60.067 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 44.884 94.126 11.935 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 45.247 93.246 11.831 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 44.009 94.071 11.551 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 68.145 75.906 59.317 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 68.709 76.417 59.898 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 67.506 76.538 58.987 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 32.986 69.546 5.091 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 33.905 69.309 5.215 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 32.827 70.236 5.735 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 80.349 44.525 -14.539 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 80.010 43.630 -14.552 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 79.700 45.020 -14.040 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 52.525 73.724 0.274 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 52.739 73.478 1.174 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 53.055 73.138 -0.267 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 34.279 54.246 9.573 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 34.558 53.532 10.146 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 34.917 54.943 9.729 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 72.461 86.321 64.529 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 72.638 85.538 64.008 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 72.282 85.988 65.409 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 54.805 84.369 26.873 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 55.366 83.836 27.437 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 54.968 85.270 27.154 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 81.551 19.493 6.039 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 82.064 19.317 6.828 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 82.141 19.995 5.477 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 81.464 49.438 4.659 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 81.215 49.981 5.407 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 82.218 49.887 4.278 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 64.816 87.424 -19.862 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 65.029 88.112 -19.232 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 65.262 86.646 -19.528 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 54.979 79.890 45.353 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 54.114 80.115 45.011 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 55.174 79.036 44.966 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 21.732 56.416 63.320 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 22.351 56.933 62.804 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 22.123 56.375 64.193 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 48.684 82.426 5.979 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 48.984 81.518 5.945 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 47.763 82.385 5.721 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 55.018 21.471 -2.194 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 54.515 22.277 -2.310 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 54.463 20.785 -2.565 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 90.779 60.933 2.883 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 91.053 61.256 3.742 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 89.989 60.422 3.060 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 51.222 92.947 30.834 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 50.790 92.404 30.175 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 52.143 92.954 30.574 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 61.225 76.723 -11.031 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 61.004 77.426 -10.421 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 62.134 76.504 -10.826 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 45.455 0.637 38.973 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 45.228 -0.221 39.331 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 44.758 1.217 39.279 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 24.337 61.941 0.067 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 23.820 61.270 0.513 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 25.186 61.923 0.508 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 60.729 67.836 59.526 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 60.629 68.659 59.048 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 59.833 67.531 59.669 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 51.275 87.672 1.290 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 51.585 87.372 2.145 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 52.054 88.026 0.862 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 65.593 66.213 -12.708 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 65.385 65.867 -13.576 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 64.745 66.460 -12.338 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 86.794 96.303 33.205 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 86.798 97.016 32.567 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 87.469 95.699 32.895 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 63.741 12.712 2.905 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 63.483 12.576 3.816 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 63.793 11.831 2.536 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 45.393 34.467 60.364 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 46.000 34.565 61.098 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 45.947 34.521 59.585 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 67.030 30.953 -14.327 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 66.377 31.596 -14.053 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 67.830 31.212 -13.870 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 64.838 41.432 10.488 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 65.236 40.974 11.228 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 64.327 42.136 10.887 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 30.932 65.993 -16.365 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 30.978 66.902 -16.068 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 31.822 65.659 -16.249 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 70.643 79.628 21.855 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 69.889 79.110 21.575 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 71.349 78.989 21.955 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 80.001 42.176 43.718 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 79.573 42.452 44.529 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 79.418 42.481 43.023 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 25.387 72.239 61.960 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 26.038 71.565 62.158 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 24.627 72.002 62.491 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 38.160 92.946 36.483 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 38.707 92.287 36.055 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 38.695 93.268 37.209 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 73.064 2.557 8.934 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 72.569 1.747 8.812 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 72.497 3.241 8.577 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 31.256 64.312 1.572 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 30.401 63.938 1.356 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 31.638 63.693 2.195 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 70.938 55.079 -17.610 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 71.498 55.855 -17.629 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 70.879 54.848 -16.683 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 62.319 79.334 -6.428 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 61.997 80.183 -6.730 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 62.456 79.450 -5.488 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 79.066 27.456 26.422 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 79.165 28.398 26.281 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 79.346 27.319 27.327 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 20.670 56.171 -3.400 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 20.478 55.235 -3.449 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 21.551 56.216 -3.029 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 62.375 91.280 31.047 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 62.282 90.827 30.210 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 61.996 90.680 31.689 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 82.705 1.176 -14.110 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 82.412 0.373 -14.541 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 83.236 0.872 -13.374 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 89.770 93.227 67.334 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 90.206 93.882 67.879 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 89.453 93.719 66.576 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 84.674 87.520 -14.098 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 85.064 87.267 -13.262 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 84.802 86.758 -14.663 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 77.920 84.149 32.811 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 78.287 83.471 32.244 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 78.329 84.960 32.512 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 70.382 31.698 47.303 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 70.813 31.958 48.117 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 70.021 30.831 47.488 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 22.873 83.861 -7.324 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 23.061 84.359 -6.529 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 22.520 83.029 -7.007 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 22.652 94.715 28.870 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 22.998 93.852 29.099 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 23.124 94.959 28.074 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 59.375 43.500 0.830 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 59.373 43.391 1.780 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 59.532 42.620 0.487 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 37.153 78.231 -8.713 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 37.148 78.198 -9.669 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 36.931 79.138 -8.503 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 35.223 55.003 -2.161 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 35.981 55.078 -1.581 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 34.467 55.028 -1.575 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 49.259 88.457 16.981 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 50.176 88.731 16.963 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 49.275 87.591 17.389 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 87.244 78.107 5.657 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 86.663 78.300 6.393 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 87.012 77.216 5.395 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 42.686 66.200 51.117 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 43.625 66.034 51.205 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 42.626 66.901 50.469 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 51.129 77.260 14.021 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 51.468 76.405 13.754 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 50.290 77.065 14.438 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 32.053 93.980 -18.143 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 32.366 93.929 -17.240 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 31.333 93.350 -18.183 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 67.211 7.732 61.917 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 67.434 7.703 62.848 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 66.719 6.925 61.763 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 81.009 22.234 44.352 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 81.946 22.278 44.543 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 80.589 22.613 45.123 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 82.069 91.861 13.652 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 82.078 91.105 14.240 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 82.480 92.563 14.157 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 69.157 12.029 -5.718 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 68.305 12.464 -5.679 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 69.772 12.673 -5.366 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 56.626 20.471 53.458 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 55.941 19.995 53.928 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 56.283 21.360 53.371 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 31.920 95.334 62.195 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 31.606 96.226 62.343 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 31.408 94.796 62.798 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 52.837 14.965 0.838 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 53.140 14.064 0.947 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 53.380 15.476 1.438 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 23.781 17.299 -12.888 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 22.905 17.227 -13.267 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 23.859 18.220 -12.637 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 38.284 2.734 23.954 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 38.341 3.542 23.443 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 37.511 2.853 24.506 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 75.564 15.863 4.835 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 76.312 15.502 5.310 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 75.802 16.775 4.670 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 46.223 77.848 55.937 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 46.489 78.427 55.222 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 46.629 78.227 56.716 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 29.455 84.228 57.061 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 29.430 84.994 57.634 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 28.683 83.719 57.308 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 34.436 21.424 29.122 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 34.761 22.130 29.680 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 35.226 21.018 28.765 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 34.652 67.790 25.682 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 34.835 66.979 26.155 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 35.455 68.305 25.768 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 74.817 77.831 12.783 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 74.740 77.413 11.925 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 74.106 77.452 13.299 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 71.996 2.275 51.900 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 72.744 2.080 51.336 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 71.251 1.863 51.463 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 32.271 78.427 25.816 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 32.933 77.835 25.458 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 32.772 79.075 26.312 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 52.218 52.896 21.460 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 51.964 52.167 20.894 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 52.665 53.509 20.876 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 38.838 69.947 28.829 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 38.970 70.493 28.054 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 39.319 69.141 28.640 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 54.663 71.479 62.724 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 55.050 71.467 61.848 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 54.359 70.583 62.864 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 88.043 4.795 50.426 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 88.998 4.724 50.425 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 87.738 3.932 50.705 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 54.536 88.098 49.513 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 55.044 88.836 49.176 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 55.106 87.693 50.167 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 59.049 64.294 28.669 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 58.363 64.022 29.279 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 58.748 63.982 27.815 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 53.920 30.860 -1.142 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 53.975 30.935 -0.189 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 54.689 31.329 -1.464 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 74.426 1.525 11.920 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 73.950 1.728 11.115 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 75.307 1.869 11.770 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 60.140 43.944 -12.730 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 60.160 43.888 -11.775 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 59.235 43.737 -12.964 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 69.294 66.543 29.732 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 68.746 65.895 30.174 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 69.379 66.214 28.837 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 81.854 91.517 39.686 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 81.320 90.775 39.403 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 82.757 91.214 39.585 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 49.810 26.379 39.217 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 49.118 26.500 38.567 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 49.365 26.001 39.975 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 77.318 90.482 -2.641 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 77.542 90.952 -3.444 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 76.951 91.153 -2.065 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 37.905 53.369 2.258 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 37.559 53.126 3.117 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 38.522 54.078 2.440 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 38.691 92.647 49.006 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 37.856 92.796 49.449 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 39.283 93.297 49.385 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 75.381 76.978 -3.075 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 76.303 77.068 -2.834 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 74.901 77.328 -2.324 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 84.843 27.663 6.769 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 84.038 28.104 6.500 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 85.536 28.114 6.287 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 80.515 47.775 41.618 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 79.571 47.917 41.682 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 80.895 48.405 42.231 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 41.595 91.372 54.378 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 42.106 91.888 53.755 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 41.823 90.463 54.181 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 62.663 69.542 -1.668 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 61.908 68.963 -1.561 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 62.364 70.389 -1.336 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 77.920 40.294 41.865 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 77.543 39.668 41.247 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 78.451 40.877 41.323 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 64.122 2.799 14.133 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 63.335 3.097 13.677 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 63.891 1.932 14.468 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 50.079 77.999 3.354 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 49.134 77.855 3.409 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 50.441 77.137 3.147 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 30.367 85.478 1.494 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 31.153 85.972 1.728 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 30.694 84.623 1.216 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 90.088 79.568 20.022 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 89.532 80.237 20.422 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 90.981 79.844 20.229 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 66.682 32.247 -18.879 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 66.292 32.816 -19.543 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 66.092 32.316 -18.128 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 35.821 15.484 14.482 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 35.696 16.039 15.252 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 36.745 15.593 14.254 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 77.454 25.188 28.714 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 78.212 25.190 29.299 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 77.772 24.779 27.910 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 73.762 86.826 42.429 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 73.632 86.580 41.514 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 73.143 86.281 42.915 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 42.259 15.041 48.006 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 42.824 15.780 47.779 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 41.511 15.120 47.415 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 84.048 3.096 43.203 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 84.553 2.488 42.664 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 84.372 2.955 44.093 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 38.876 74.594 -19.640 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 39.175 75.028 -18.842 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 39.674 74.451 -20.149 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 48.788 67.143 4.783 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 49.593 66.784 4.409 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 48.753 66.783 5.669 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 50.653 79.253 7.105 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 51.353 79.421 6.473 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 50.572 78.299 7.125 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 75.617 63.840 12.905 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 75.212 63.085 13.334 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 75.210 63.871 12.039 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 65.399 93.938 25.644 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 65.920 93.956 24.841 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 65.632 94.748 26.099 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 82.809 41.379 -16.424 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 82.045 41.954 -16.474 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 83.181 41.549 -15.559 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 54.737 26.192 18.613 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 54.129 26.563 17.974 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 54.820 26.868 19.286 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 74.764 67.649 33.361 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 74.185 67.853 32.627 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 75.234 66.863 33.084 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 79.154 54.518 13.889 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 78.335 55.013 13.867 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 79.210 54.186 14.785 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 48.929 57.662 10.074 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 49.061 58.186 10.864 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 49.578 57.995 9.454 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 90.851 45.447 67.135 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 89.934 45.668 67.298 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 91.187 46.180 66.620 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 68.917 7.161 8.102 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 68.329 7.745 8.581 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 68.363 6.757 7.434 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 46.293 92.990 34.674 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 46.625 92.092 34.673 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 45.599 92.990 34.015 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 69.011 91.213 54.949 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 68.549 91.019 54.133 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 69.938 91.123 54.726 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 32.980 22.259 -13.631 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 32.447 21.489 -13.829 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 33.367 22.505 -14.471 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 42.010 15.304 -18.930 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 42.777 15.261 -18.359 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 42.309 15.794 -19.696 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 22.524 58.191 56.847 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 22.543 59.057 56.441 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 23.162 57.679 56.350 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 42.258 42.689 0.011 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 42.539 43.311 0.682 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 41.329 42.542 0.194 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 21.387 8.663 1.093 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 21.532 9.580 1.325 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 21.792 8.566 0.232 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 24.149 51.446 -0.419 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 25.044 51.722 -0.614 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 23.667 51.602 -1.231 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 75.802 44.869 17.241 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 76.198 44.905 18.111 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 74.900 44.591 17.398 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 51.877 95.018 40.373 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 51.963 94.296 40.996 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 51.317 94.670 39.679 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 52.101 95.612 23.986 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 52.131 95.388 23.056 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 51.495 96.352 24.035 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 82.393 81.612 19.927 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 82.937 81.183 20.587 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 81.732 80.958 19.699 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 86.546 85.798 59.783 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 86.973 85.069 59.333 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 85.910 86.132 59.150 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 21.573 8.522 -17.641 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 21.669 7.696 -18.117 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 21.164 8.274 -16.812 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 67.663 76.864 11.812 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 67.557 76.950 10.865 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 68.133 76.038 11.928 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 62.682 68.174 61.752 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 61.921 68.358 61.200 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 63.358 67.884 61.139 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 49.422 68.319 9.702 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 49.947 68.550 10.468 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 48.615 68.824 9.802 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 43.794 70.687 61.827 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 43.184 69.954 61.743 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 43.286 71.374 62.259 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 40.759 85.222 -19.617 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 40.464 85.888 -18.996 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 40.266 85.404 -20.416 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 33.364 20.158 31.737 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 32.800 20.115 30.965 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 33.728 21.043 31.719 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 70.690 85.848 -14.415 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 69.930 85.292 -14.587 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 71.354 85.544 -15.034 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 69.644 76.728 54.728 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 68.690 76.705 54.653 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 69.951 76.106 54.068 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 21.438 68.798 48.811 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 21.593 67.854 48.764 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 22.116 69.180 48.253 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 27.632 62.695 -12.962 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 28.207 62.535 -13.710 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 27.748 63.624 -12.764 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 61.508 5.214 -7.163 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 60.634 4.867 -6.989 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 61.974 5.121 -6.332 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 76.245 34.846 -8.220 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 75.405 34.431 -8.026 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 76.899 34.196 -7.962 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 86.731 20.510 4.822 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 87.669 20.601 4.654 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 86.326 21.205 4.303 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 42.816 90.763 10.207 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 43.756 90.921 10.295 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 42.755 89.974 9.669 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 26.187 37.460 63.716 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 27.024 37.635 63.287 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 25.709 38.288 63.657 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 45.034 56.318 64.689 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 44.878 57.078 65.249 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 45.943 56.411 64.405 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 82.937 67.389 39.841 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 83.721 66.912 40.111 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 82.508 66.810 39.211 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 85.256 0.939 3.865 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 85.681 0.113 3.633 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 84.321 0.767 3.752 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 80.032 54.254 31.922 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 80.344 54.762 32.671 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 79.292 54.757 31.582 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 72.398 65.356 -18.275 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 73.230 65.174 -18.712 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 71.739 64.942 -18.832 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 76.688 85.674 -14.718 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 77.229 85.616 -15.506 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 76.404 86.588 -14.689 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 82.036 44.257 0.085 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 82.015 44.850 -0.666 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 81.254 44.481 0.590 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 49.867 85.190 20.152 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 49.109 85.239 20.735 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 50.134 84.271 20.181 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 72.865 94.766 63.222 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 72.791 95.587 63.710 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 73.613 94.900 62.640 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 47.262 95.934 22.676 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 47.987 96.138 23.267 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 47.339 96.579 21.972 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 28.139 62.959 25.987 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 27.857 62.759 25.095 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 28.627 63.778 25.907 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 62.293 48.537 13.007 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 62.361 49.271 13.617 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 61.401 48.209 13.124 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 52.586 67.754 53.705 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 52.522 67.916 52.764 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 52.199 66.887 53.826 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 21.078 44.103 17.033 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 21.103 43.571 17.829 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 21.251 44.995 17.335 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 65.490 3.036 61.716 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 66.187 2.382 61.668 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 64.890 2.801 61.008 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 70.216 58.795 41.964 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 69.552 59.393 41.623 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 69.760 57.958 42.057 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 21.085 46.204 -12.938 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 20.324 45.723 -12.613 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 21.518 46.530 -12.148 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 24.604 88.664 0.071 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 24.316 89.096 -0.732 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 25.191 89.295 0.486 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 24.036 32.400 11.851 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 23.755 33.048 11.205 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 24.465 32.913 12.536 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 68.886 67.161 -19.678 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 68.276 66.692 -20.248 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 68.494 67.102 -18.807 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 89.622 74.431 3.969 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 89.272 73.753 4.547 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 90.543 74.197 3.855 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 69.284 49.687 11.671 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 68.593 49.682 12.332 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 68.822 49.797 10.840 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 32.596 90.676 -4.448 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 32.937 90.784 -3.560 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 31.732 90.282 -4.327 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 39.109 58.696 6.166 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 39.400 59.470 6.648 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 39.411 57.957 6.694 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 90.001 69.595 40.954 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 89.730 68.878 41.528 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 90.888 69.361 40.680 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 24.326 39.534 41.851 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 24.273 40.164 41.132 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 24.993 38.907 41.572 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 78.441 20.923 64.216 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 78.454 21.821 64.546 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 78.810 20.400 64.929 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 66.809 42.770 36.003 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 67.488 42.864 35.334 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 67.284 42.809 36.833 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 71.704 54.550 -15.076 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 71.689 55.234 -14.406 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 72.384 53.943 -14.782 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 70.480 28.157 -15.949 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 70.761 28.555 -16.772 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 69.543 28.347 -15.898 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 31.862 1.354 41.827 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 31.883 1.053 42.735 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 32.313 0.667 41.335 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 64.070 73.126 30.487 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 64.189 72.208 30.244 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 63.122 73.252 30.495 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 40.994 92.963 20.038 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 40.071 93.076 20.265 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 41.039 92.096 19.636 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 89.028 62.742 12.800 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 89.977 62.711 12.923 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 88.778 61.833 12.635 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 27.106 49.606 -16.078 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 27.596 49.971 -16.815 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 27.773 49.417 -15.417 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 22.722 80.475 60.739 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 22.322 79.854 61.349 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 23.343 79.949 60.234 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 47.224 22.774 30.652 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 46.564 22.081 30.689 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 46.949 23.328 29.920 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 87.946 60.362 50.986 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 87.156 60.780 51.328 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 88.441 61.076 50.584 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 54.758 17.722 54.115 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 54.668 17.083 53.408 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 54.520 17.241 54.907 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 89.951 51.852 8.420 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 90.654 52.455 8.661 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 89.610 51.534 9.256 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 82.158 4.949 -6.361 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 81.283 5.177 -6.675 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 82.032 4.724 -5.440 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 72.810 36.587 28.346 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 73.626 36.416 27.878 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 72.990 37.373 28.863 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 59.551 86.366 1.093 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 59.729 86.819 1.917 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 58.638 86.087 1.164 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 85.443 30.251 -18.792 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 85.423 31.206 -18.726 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 86.332 30.011 -18.531 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 80.062 56.273 18.001 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 80.278 55.410 17.649 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 80.846 56.800 17.844 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 49.463 41.845 -13.731 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 49.092 41.530 -14.556 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 49.853 41.068 -13.332 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 47.420 7.636 14.014 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 47.228 8.527 13.724 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 48.349 7.515 13.820 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 62.170 91.201 5.457 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 61.846 92.093 5.578 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 61.407 90.645 5.620 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 52.706 77.791 46.311 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 53.423 77.199 46.082 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 52.224 77.911 45.493 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 37.731 31.242 34.408 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 37.168 31.848 33.927 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 38.614 31.429 34.089 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 85.170 75.829 -3.594 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 86.030 75.410 -3.559 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 84.648 75.259 -4.158 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 37.558 84.660 -6.972 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 37.567 85.549 -7.326 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 37.149 84.133 -7.658 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 73.608 1.011 14.947 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 73.521 1.152 14.004 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 74.553 1.009 15.102 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 42.339 83.141 43.450 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 42.591 83.354 44.349 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 42.796 83.788 42.913 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 82.493 60.496 49.383 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 83.407 60.231 49.276 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 82.204 60.721 48.498 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 54.833 23.407 -5.059 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 54.144 22.768 -5.244 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 54.567 23.814 -4.235 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 50.266 68.187 55.364 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 49.981 68.770 54.661 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 51.217 68.297 55.397 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 88.636 25.147 54.823 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 88.985 24.548 55.483 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 87.712 25.246 55.053 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 83.058 58.648 -0.274 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 82.252 58.577 0.238 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 82.769 58.935 -1.140 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 36.851 21.617 22.302 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 37.159 21.736 21.403 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 36.986 20.686 22.479 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 70.670 64.609 43.083 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 71.531 64.505 42.677 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 70.127 63.938 42.671 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 24.139 54.431 -4.182 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 23.822 54.443 -5.085 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 23.354 54.278 -3.654 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 66.970 93.001 3.935 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 66.313 92.859 3.253 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 66.474 93.344 4.678 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 76.970 28.320 66.600 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 77.420 29.165 66.628 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 77.502 27.784 66.012 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 54.783 30.591 7.351 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 55.659 30.437 6.997 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 54.909 30.620 8.299 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 87.981 75.073 40.587 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 87.832 75.997 40.390 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 88.441 74.735 39.819 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 80.251 62.380 -16.107 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 79.464 62.492 -16.641 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 80.964 62.308 -16.742 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 37.457 21.214 65.115 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 38.369 21.258 64.830 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 37.020 20.692 64.442 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 37.022 10.923 26.540 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 36.428 11.671 26.480 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 37.838 11.232 26.145 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 59.816 69.427 -13.688 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 59.573 69.045 -14.531 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 59.531 70.339 -13.747 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 66.518 1.393 21.266 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 66.026 2.167 20.991 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 65.892 0.673 21.196 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 79.306 24.523 7.041 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 79.755 24.767 7.850 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 79.680 23.674 6.806 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 70.980 96.405 15.330 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 71.752 96.960 15.445 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 71.281 95.688 14.772 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 76.207 69.705 -17.658 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 76.180 70.306 -18.402 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 76.538 68.885 -18.024 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 67.226 8.670 24.365 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 66.642 7.913 24.306 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 67.963 8.363 24.893 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 35.079 91.231 28.030 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 34.897 90.758 27.218 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 35.632 90.637 28.536 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 69.894 21.747 3.440 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 70.538 22.427 3.639 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 69.128 21.981 3.964 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 42.902 1.386 59.575 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 42.946 0.485 59.254 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 41.982 1.514 59.805 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 47.506 79.816 -12.742 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 46.972 79.027 -12.647 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 48.028 79.850 -11.941 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 82.855 63.646 -9.946 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 82.298 63.473 -9.188 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 82.580 64.510 -10.253 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 63.341 15.032 7.237 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 64.276 14.904 7.398 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 63.305 15.678 6.531 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 70.160 83.646 39.412 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 69.872 83.470 40.308 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 69.350 83.809 38.928 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 61.445 57.660 47.113 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 60.617 57.667 47.594 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 61.229 58.034 46.259 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 80.222 51.600 66.729 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 79.439 52.000 66.351 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 80.148 51.771 67.668 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 30.176 62.256 64.981 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 29.976 62.914 64.314 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 29.397 62.234 65.537 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 45.130 35.294 -17.208 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 45.720 35.066 -16.490 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 45.645 35.875 -17.767 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 78.378 58.203 37.299 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 79.075 57.686 37.703 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 77.726 58.311 37.991 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 70.516 31.291 32.642 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 70.902 30.670 32.025 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 69.649 30.934 32.833 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 33.870 80.253 30.980 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 33.988 79.506 30.393 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 32.954 80.202 31.251 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 77.957 69.621 61.068 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 77.121 69.253 61.353 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 78.418 69.828 61.881 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 23.367 9.690 46.167 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 23.173 8.769 46.342 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 23.302 9.773 45.216 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 75.000 78.829 51.363 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 75.481 78.395 50.658 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 74.197 78.315 51.457 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 56.405 19.056 21.568 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 55.747 18.630 21.019 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 55.941 19.789 21.974 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 33.546 84.406 25.954 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 32.832 84.069 25.412 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 34.271 83.801 25.799 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 38.038 30.506 -0.415 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 37.699 31.179 -1.004 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 37.585 30.661 0.414 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 42.528 71.338 7.744 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 42.488 70.778 8.519 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 43.284 71.015 7.254 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 78.652 49.237 -2.794 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 77.843 48.891 -2.417 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 78.672 50.154 -2.520 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 73.903 77.755 4.132 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 74.771 77.359 4.052 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 73.498 77.621 3.275 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 89.195 29.711 -2.241 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 89.225 29.534 -1.300 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 89.844 30.401 -2.377 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 78.480 78.904 -19.975 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 78.074 79.173 -19.151 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 77.779 78.460 -20.454 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 81.834 28.297 10.615 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 81.359 27.482 10.455 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 81.323 28.745 11.289 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 22.266 49.497 -19.354 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 21.770 48.926 -19.940 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 23.183 49.307 -19.553 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 62.077 81.183 10.389 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 61.802 80.711 9.603 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 62.515 80.522 10.925 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 28.335 69.460 53.489 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 28.103 69.471 52.560 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 27.629 69.943 53.918 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 86.641 65.140 28.434 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 86.084 64.680 29.063 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 86.859 64.478 27.778 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 81.786 5.769 0.657 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 80.846 5.812 0.834 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 81.910 6.326 -0.112 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 43.744 90.100 -14.194 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 44.177 90.356 -13.380 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 43.848 90.858 -14.770 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 72.898 77.668 21.434 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 72.713 76.902 21.978 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 73.489 77.343 20.755 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 83.964 91.009 28.725 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 83.836 90.382 28.014 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 83.710 90.532 29.515 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 54.860 80.809 19.774 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 54.934 80.346 20.608 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 54.857 81.736 20.013 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 49.782 95.773 16.500 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 50.655 96.164 16.465 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 49.579 95.558 15.590 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 88.995 68.076 52.646 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 89.397 68.027 51.779 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 88.379 67.343 52.666 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 29.878 63.319 7.639 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 28.922 63.340 7.664 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 30.148 63.731 8.460 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 75.488 82.304 39.764 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 75.217 81.386 39.790 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 74.719 82.789 40.064 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 37.623 77.866 10.978 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 38.225 77.249 11.395 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 38.011 78.726 11.140 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 75.760 95.918 -14.693 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 75.689 96.358 -15.540 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 76.644 95.549 -14.687 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 59.150 65.271 23.738 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 59.428 65.680 22.919 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 58.328 64.831 23.520 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 90.626 71.560 3.459 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 91.454 71.092 3.561 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 90.120 71.023 2.849 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 67.639 45.480 1.073 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 68.567 45.465 1.307 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 67.235 46.046 1.731 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 82.650 87.580 43.029 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 82.986 88.323 42.528 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 81.828 87.895 43.404 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 74.087 56.850 -2.820 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 74.963 57.085 -3.128 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 73.887 57.501 -2.147 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 24.127 25.236 63.373 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 24.026 26.101 63.771 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 24.773 25.366 62.678 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 90.564 34.679 7.188 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 90.969 35.318 7.774 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 90.043 34.120 7.765 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 44.553 91.090 21.299 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 43.718 90.622 21.270 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 45.132 90.582 20.731 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 29.561 58.176 9.642 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 29.563 59.130 9.723 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 30.370 57.897 10.070 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 83.960 2.771 58.992 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 83.262 3.228 58.523 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 83.592 1.910 59.190 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 62.192 78.898 -3.626 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 61.928 78.714 -2.724 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 61.945 79.812 -3.766 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 33.161 68.748 35.746 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 33.801 68.109 36.060 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 33.674 69.364 35.222 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 88.219 41.707 -12.069 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 88.803 42.096 -11.418 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 88.806 41.367 -12.745 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 87.039 39.592 37.808 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 87.918 39.304 37.564 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 87.050 39.613 38.765 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 49.882 89.431 3.596 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 50.386 90.161 3.955 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 50.526 88.736 3.463 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 86.909 58.136 36.412 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 87.099 57.332 36.894 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 85.958 58.134 36.307 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 22.142 80.496 20.013 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 22.551 81.107 20.626 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 22.044 80.998 19.204 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 29.184 21.790 34.381 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 29.509 20.916 34.168 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 28.590 22.007 33.662 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 50.989 81.476 65.130 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 51.367 80.962 65.843 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 51.285 82.371 65.296 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 51.362 79.363 28.478 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 51.369 79.002 27.592 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 50.515 79.101 28.838 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 25.929 27.146 40.437 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 25.994 27.203 41.390 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 25.098 27.573 40.227 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 84.254 54.718 0.174 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 84.140 55.204 0.991 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 84.795 55.290 -0.371 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 24.604 68.431 -0.667 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 24.474 67.982 0.169 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 25.482 68.806 -0.604 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 27.831 72.769 -12.570 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 27.905 72.700 -11.618 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 28.558 73.336 -12.827 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 22.389 42.030 37.363 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 21.488 41.924 37.669 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 22.629 42.918 37.628 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 65.115 83.353 -9.946 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 64.844 83.959 -10.636 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 65.566 82.647 -10.409 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 65.681 64.638 41.910 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 65.237 63.803 42.053 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 66.062 64.561 41.035 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 49.370 83.326 43.606 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 49.815 83.527 44.429 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 48.485 83.674 43.720 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 26.772 57.326 20.635 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 27.505 57.199 21.238 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 26.311 58.093 20.975 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 68.132 89.171 12.287 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 68.233 88.913 13.204 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 68.491 90.057 12.247 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 67.109 10.214 57.657 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 66.768 10.297 58.548 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 66.662 10.901 57.163 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 65.416 21.022 51.770 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 65.274 21.927 51.495 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 64.787 20.514 51.256 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 24.031 76.858 7.558 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 23.146 76.606 7.823 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 24.605 76.406 8.177 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 85.607 70.142 18.465 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 85.999 69.287 18.287 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 84.980 69.977 19.169 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 36.521 52.689 13.468 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 36.996 51.861 13.394 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 36.655 52.962 14.376 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 26.683 67.855 9.496 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 25.847 67.786 9.956 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 27.333 67.949 10.193 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 82.607 77.553 64.970 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 83.410 77.697 65.471 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 81.903 77.806 65.568 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 52.910 40.553 29.225 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 53.565 39.967 28.846 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 52.455 40.925 28.470 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 62.178 73.838 60.910 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 62.435 74.686 60.547 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 62.742 73.205 60.465 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 36.703 59.177 -10.640 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 36.798 59.801 -9.921 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 36.668 58.321 -10.213 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 89.328 75.804 16.732 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 89.071 76.383 17.450 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 89.069 74.930 17.024 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 31.135 41.273 56.093 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 31.151 42.197 55.846 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 31.635 40.832 55.406 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 71.114 3.474 16.973 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 70.744 4.250 16.551 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 71.983 3.380 16.583 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 27.722 19.827 46.928 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 27.121 19.869 46.184 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 27.615 20.669 47.371 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 25.477 76.767 59.288 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 25.762 76.993 60.174 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 24.522 76.725 59.347 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 80.658 68.597 14.047 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 80.992 67.794 14.445 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 80.298 68.317 13.206 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 64.997 16.846 56.909 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 64.377 16.419 57.499 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 65.098 16.232 56.181 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 69.986 43.205 -9.156 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 69.158 43.422 -8.728 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 70.148 42.293 -8.914 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 68.019 68.219 13.991 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 68.018 67.618 14.735 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 68.603 67.810 13.352 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 30.371 75.778 53.447 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 30.887 76.574 53.575 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 31.019 75.075 53.408 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 37.065 53.020 16.123 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 37.453 52.192 15.842 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 37.794 53.509 16.505 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 29.068 10.470 -11.011 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 28.970 10.619 -11.951 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 29.725 11.109 -10.734 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 51.381 89.575 -2.318 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 51.439 90.233 -3.011 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 51.701 88.770 -2.724 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 89.934 66.393 41.671 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 90.438 66.495 40.864 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 89.096 66.028 41.387 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 58.198 66.183 50.048 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 58.814 65.693 49.504 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 57.583 66.570 49.425 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 72.719 80.718 60.079 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 72.133 80.171 60.602 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 72.784 80.265 59.238 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 65.261 45.179 -0.239 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 65.997 45.098 0.369 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 64.734 45.894 0.117 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 85.294 53.141 13.309 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 85.659 54.025 13.328 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 85.898 52.620 13.838 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 69.780 71.577 19.528 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 68.925 71.193 19.332 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 70.359 70.825 19.648 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 56.535 73.059 51.805 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 56.494 72.452 52.544 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 57.179 72.672 51.212 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 83.707 46.243 58.479 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 83.367 46.868 59.120 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 84.462 45.843 58.912 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 33.935 34.745 -15.089 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 33.455 35.445 -15.530 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 34.493 34.370 -15.771 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 86.561 54.589 -4.224 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 86.016 53.815 -4.365 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 86.292 55.200 -4.909 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 72.350 54.061 35.329 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 71.765 53.592 34.734 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 72.603 54.848 34.845 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 74.433 84.848 63.105 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 74.513 83.975 63.490 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 75.251 85.288 63.337 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 62.507 74.065 1.578 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 62.043 73.868 0.765 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 62.305 73.328 2.155 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 29.830 43.391 -7.174 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 29.618 44.314 -7.311 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 29.610 43.228 -6.256 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 42.549 96.400 24.379 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 42.216 95.948 23.604 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 43.209 97.005 24.039 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 28.503 49.327 23.574 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 29.396 48.991 23.490 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 28.120 48.815 24.287 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 38.114 40.443 22.179 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 38.670 40.105 21.476 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 38.717 40.605 22.905 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 64.970 22.731 59.038 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 64.402 22.087 58.615 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 65.241 22.312 59.855 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 48.980 54.722 49.054 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 48.828 55.664 49.124 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 48.648 54.488 48.188 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 38.319 86.454 34.171 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 38.247 86.989 33.381 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 37.458 86.048 34.266 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 33.969 32.933 19.550 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 33.829 33.365 20.393 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 34.480 33.561 19.040 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 84.396 71.724 59.745 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 83.516 72.019 59.512 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 84.864 72.527 59.978 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 34.410 22.792 23.534 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 35.207 22.268 23.453 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 34.681 23.566 24.026 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 38.534 90.893 -11.057 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 37.825 91.483 -11.314 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 39.299 91.217 -11.532 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 90.598 44.070 14.352 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 90.779 44.087 15.292 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 89.729 43.675 14.282 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 81.694 49.371 27.166 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 80.870 49.801 27.393 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 82.154 50.006 26.617 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 85.910 64.358 46.995 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 85.826 64.032 46.099 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 86.019 65.304 46.897 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 55.876 49.456 60.066 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 55.352 50.213 60.328 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 56.111 49.630 59.155 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 49.007 50.035 56.681 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 49.957 49.923 56.693 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 48.710 49.491 55.952 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 80.135 33.439 -9.871 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 80.821 33.384 -9.206 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 79.854 32.533 -10.001 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 68.918 2.786 -16.153 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 68.256 2.930 -15.477 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 69.646 2.370 -15.690 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 70.293 26.650 -0.755 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 70.947 26.184 -1.275 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 69.748 27.099 -1.401 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 83.600 53.381 -2.526 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 83.807 53.446 -1.593 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 83.244 54.239 -2.753 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 41.810 7.682 38.179 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 42.195 8.556 38.242 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 41.886 7.323 39.063 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 56.467 82.690 -9.884 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 56.297 82.293 -9.030 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 56.826 81.977 -10.413 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 74.154 78.249 7.296 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 73.592 77.615 7.743 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 75.038 77.895 7.390 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 54.585 5.554 48.256 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 55.204 5.948 48.871 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 53.728 5.677 48.665 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 85.770 33.572 57.618 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 85.048 33.248 58.157 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 86.551 33.167 57.996 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 69.188 86.345 54.288 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 69.336 87.272 54.476 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 68.837 85.988 55.103 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 27.619 59.776 49.527 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 27.213 60.486 49.029 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 27.453 58.991 49.004 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 20.460 7.566 37.243 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 21.072 6.833 37.299 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 20.298 7.673 36.305 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 72.362 95.295 48.929 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 73.120 95.663 49.382 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 72.395 94.359 49.126 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 61.828 63.996 61.217 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 62.446 64.141 61.933 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 62.166 64.529 60.497 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 83.518 35.237 -13.573 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 83.354 34.300 -13.680 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 82.787 35.550 -13.041 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 72.369 79.022 -6.136 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 72.028 78.611 -5.342 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 73.308 78.841 -6.116 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 30.588 1.672 12.223 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 30.694 1.726 11.273 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 31.482 1.630 12.563 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 35.849 69.286 6.686 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 35.191 68.741 7.117 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 36.644 68.753 6.695 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 54.449 68.006 18.912 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 55.225 67.658 18.472 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 53.733 67.846 18.297 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 51.554 56.014 -15.213 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 52.023 55.971 -16.046 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 52.062 55.458 -14.622 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 20.600 79.481 66.770 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 21.485 79.253 67.054 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 20.117 79.628 67.583 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 25.278 65.088 9.028 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 25.065 65.904 8.576 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 24.668 65.056 9.765 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 48.229 39.076 27.072 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 48.359 38.207 26.692 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 48.086 39.649 26.318 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 74.784 25.762 -14.145 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 74.880 26.592 -13.678 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 74.380 26.001 -14.979 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 32.955 80.859 1.545 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 33.087 80.181 0.882 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 33.745 81.397 1.497 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 64.940 56.771 -7.068 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 65.779 56.765 -6.607 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 65.103 56.275 -7.870 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 49.610 83.222 -13.144 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 49.211 82.353 -13.092 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 49.184 83.724 -12.450 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 89.868 84.682 26.877 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 90.372 85.489 26.989 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 88.955 84.969 26.867 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 73.329 73.303 24.229 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 73.330 73.563 25.150 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 72.567 72.730 24.142 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 26.525 50.014 66.235 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 25.863 49.526 66.725 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 26.378 50.928 66.479 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 46.886 31.596 54.272 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 46.783 32.480 54.623 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 47.532 31.183 54.845 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 85.592 78.758 -8.071 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 85.486 79.464 -7.434 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 84.960 78.093 -7.799 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 54.202 38.702 -15.361 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 53.754 39.159 -14.650 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 53.548 38.646 -16.059 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 85.575 45.662 -12.861 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 84.878 45.014 -12.757 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 86.290 45.334 -12.316 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 63.359 37.142 5.012 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 63.215 36.974 5.943 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 62.973 38.005 4.861 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 43.842 60.307 45.034 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 43.096 60.905 44.992 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 44.608 60.872 44.932 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 29.528 82.460 49.031 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 29.619 81.594 48.633 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 30.229 82.500 49.682 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 65.986 58.212 36.602 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 65.345 58.922 36.613 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 65.622 57.569 35.994 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 55.468 51.169 -8.928 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 55.066 50.956 -9.770 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 55.624 52.113 -8.969 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 31.137 83.677 52.608 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 31.451 83.823 51.716 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 30.443 83.025 52.514 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 71.010 35.353 11.072 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 70.532 34.687 11.566 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 70.481 36.146 11.164 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 70.282 59.932 48.166 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 70.270 60.270 47.271 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 69.502 59.380 48.225 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 24.224 53.504 12.984 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 25.101 53.471 13.366 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 24.252 52.873 12.265 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 82.094 82.437 36.014 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 81.596 82.783 35.273 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 81.484 81.852 36.462 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 23.950 84.881 11.609 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 24.406 84.059 11.429 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 23.240 84.637 12.203 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 21.277 86.280 47.687 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 21.974 86.107 48.320 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 21.698 86.181 46.833 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 21.969 48.395 39.136 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 21.896 47.570 39.616 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 21.188 48.419 38.582 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 80.469 48.205 32.589 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 81.299 47.871 32.250 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 80.708 48.997 33.070 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 72.765 25.429 50.547 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 72.976 26.356 50.656 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 73.292 25.148 49.799 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 47.805 92.476 -17.589 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 48.103 93.382 -17.516 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 47.084 92.511 -18.218 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 50.251 63.943 61.412 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 50.424 63.155 60.896 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 51.070 64.438 61.376 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 52.212 80.368 62.725 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 51.714 80.433 63.540 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 53.034 80.822 62.910 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 66.653 91.343 -16.795 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 66.278 92.209 -16.951 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 67.595 91.463 -16.918 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 31.362 64.867 41.191 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 32.255 64.522 41.183 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 31.188 65.108 40.281 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 80.927 66.034 64.582 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 80.179 65.592 64.181 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 80.950 65.700 65.479 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 37.938 48.281 54.586 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 37.692 47.624 55.237 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 38.635 47.866 54.077 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 53.606 10.209 51.075 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 53.603 9.518 50.413 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 54.439 10.100 51.533 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 49.625 0.415 52.426 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 50.400 -0.117 52.246 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 49.970 1.290 52.604 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 77.368 15.489 -4.688 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 77.024 15.625 -5.571 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 76.682 15.822 -4.109 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 71.145 95.461 -6.466 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 70.862 96.312 -6.801 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 70.484 95.228 -5.814 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 71.481 40.470 57.251 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 70.815 40.631 56.583 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 71.431 41.233 57.827 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 77.706 88.360 17.814 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 76.946 87.819 18.025 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 77.850 88.888 18.600 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 56.348 71.810 39.777 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 56.334 72.669 39.354 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 55.704 71.879 40.482 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 71.725 81.717 -0.315 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 72.574 81.277 -0.262 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 71.728 82.143 -1.172 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 23.455 28.597 -8.909 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 23.105 29.402 -8.529 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 23.257 28.665 -9.843 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 49.371 23.748 62.240 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 49.741 24.245 62.969 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 49.529 24.296 61.471 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 30.054 82.470 -15.288 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 30.613 83.063 -15.791 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 30.654 82.023 -14.692 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 62.713 51.080 39.178 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 62.412 50.515 38.467 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 62.162 51.860 39.114 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 31.244 23.520 -17.185 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 31.553 24.274 -17.688 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 31.285 23.807 -16.273 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 68.565 8.758 -0.341 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 68.605 9.669 -0.633 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 68.957 8.769 0.532 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 83.488 96.054 -16.693 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 84.327 95.596 -16.662 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 82.855 95.380 -16.942 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 43.067 83.083 -9.796 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 43.405 82.383 -9.238 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 42.187 83.254 -9.459 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 30.564 75.834 24.141 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 30.197 76.641 24.503 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 29.929 75.156 24.374 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 36.203 6.981 -12.376 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 36.128 6.569 -13.237 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 36.662 7.804 -12.543 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 55.099 75.335 -6.781 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 54.614 74.756 -6.194 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 54.898 75.010 -7.659 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 90.187 59.655 7.270 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 90.826 59.279 7.875 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 90.638 60.402 6.877 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 42.545 48.457 -18.221 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 43.293 48.491 -18.816 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 42.509 49.329 -17.829 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 35.665 45.005 0.688 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 36.343 45.359 1.264 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 34.995 44.669 1.283 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 76.307 74.419 35.161 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 75.775 73.797 34.663 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 77.183 74.035 35.166 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 57.218 0.868 -14.072 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 56.810 0.559 -14.880 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 57.035 0.180 -13.432 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 79.863 67.970 11.579 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 80.774 67.699 11.693 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 79.425 67.197 11.225 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 40.227 81.268 2.117 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 41.147 81.531 2.081 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 39.802 81.786 1.433 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 20.718 74.375 -15.779 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 20.133 73.962 -15.143 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 21.451 74.698 -15.256 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 85.649 56.980 -16.138 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 85.160 57.526 -15.521 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 84.974 56.528 -16.644 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 89.103 17.164 33.933 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 88.640 16.969 34.748 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 89.146 18.120 33.905 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 63.926 3.816 39.383 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 64.601 3.293 38.951 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 64.385 4.600 39.685 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 45.920 84.068 53.759 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 45.956 84.193 54.707 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 46.586 84.661 53.412 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 23.241 77.834 45.851 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 24.039 77.546 46.294 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 23.532 78.531 45.261 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 60.977 65.004 64.224 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 61.368 64.937 63.353 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 61.474 65.699 64.656 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 67.883 48.008 -5.952 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 67.812 48.723 -5.320 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 67.639 48.403 -6.789 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 40.174 94.656 50.017 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 41.059 94.855 49.712 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 39.708 95.491 49.961 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 36.203 6.959 -8.914 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 35.419 6.576 -9.307 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 36.929 6.586 -9.415 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 23.441 69.780 -2.790 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 23.677 69.141 -2.117 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 23.409 70.616 -2.325 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 60.553 49.449 52.733 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 61.453 49.751 52.611 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 60.640 48.620 53.204 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 89.398 91.690 15.080 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 89.262 90.743 15.097 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 90.105 91.843 15.707 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 22.332 34.813 -9.537 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 21.822 34.067 -9.222 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 22.650 35.240 -8.742 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 35.097 84.005 -15.915 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 34.824 84.803 -15.461 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 34.457 83.899 -16.619 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 26.788 94.409 -6.398 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 26.598 94.503 -5.465 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 26.478 93.531 -6.619 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 85.676 6.523 -4.037 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 86.480 6.778 -3.584 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 85.043 7.202 -3.803 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 82.156 68.415 63.852 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 82.758 67.981 63.247 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 81.506 67.745 64.066 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 73.094 49.774 1.372 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 72.783 50.677 1.433 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 72.970 49.417 2.251 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 23.602 90.666 32.149 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 24.556 90.669 32.067 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 23.324 89.877 31.682 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 32.578 10.430 -4.099 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 32.264 9.708 -4.644 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 33.496 10.537 -4.347 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 49.254 78.008 26.822 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 49.746 77.237 26.540 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 49.214 78.565 26.045 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 52.843 62.112 3.412 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 53.781 61.955 3.524 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 52.782 63.033 3.158 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 80.614 93.004 47.974 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 80.146 92.198 48.190 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 79.957 93.559 47.554 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 72.836 71.741 52.523 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 72.706 72.078 51.637 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 73.474 72.337 52.915 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 32.772 37.579 9.132 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 31.896 37.817 9.435 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 33.268 38.397 9.164 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 57.416 94.381 7.635 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 58.065 94.427 6.932 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 56.741 93.791 7.299 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 22.345 22.184 8.735 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 22.186 22.934 9.307 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 21.822 21.478 9.114 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 33.711 93.266 22.494 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 34.160 93.335 23.336 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 32.780 93.301 22.715 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 29.824 95.098 7.564 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 30.681 95.521 7.604 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 29.566 94.992 8.480 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 32.535 15.471 27.263 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 32.962 16.314 27.414 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 31.812 15.671 26.668 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 23.409 55.344 10.862 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 23.775 54.641 11.400 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 22.472 55.332 11.057 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 83.555 91.871 24.277 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 83.392 91.645 23.361 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 82.698 92.130 24.616 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 25.986 34.567 -12.083 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 25.175 35.024 -11.860 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 26.467 35.187 -12.632 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 29.930 46.999 -8.464 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 29.181 47.407 -8.028 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 30.162 47.609 -9.164 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 40.846 24.642 45.947 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 41.202 23.948 45.391 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 41.425 25.389 45.796 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 35.233 78.003 -14.460 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 34.342 78.132 -14.784 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 35.166 78.136 -13.514 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 45.123 81.266 43.174 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 45.592 82.000 43.570 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 44.198 81.466 43.318 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 33.951 4.106 28.906 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 33.653 3.198 28.849 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 33.758 4.366 29.807 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 24.195 43.107 -18.780 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 24.819 42.424 -18.531 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 23.744 42.752 -19.546 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 77.363 79.907 -12.256 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 76.754 80.131 -11.552 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 77.333 80.658 -12.848 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 67.232 78.539 60.623 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 66.859 78.594 59.743 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 67.086 79.407 61.000 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 52.903 14.320 39.738 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 52.164 13.737 39.566 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 52.717 14.697 40.598 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 38.148 33.083 -16.614 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 39.037 32.797 -16.822 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 38.081 32.987 -15.664 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 61.940 18.689 39.113 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 61.709 17.787 39.335 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 61.291 18.949 38.460 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 26.127 60.125 43.971 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 26.015 61.067 44.093 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 25.735 59.733 44.752 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 46.856 1.899 37.041 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 47.540 2.492 37.350 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 46.491 1.517 37.839 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 86.437 54.464 49.521 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 86.248 53.565 49.788 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 86.750 54.891 50.319 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 28.055 54.555 -6.894 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 27.388 54.899 -7.489 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 27.581 53.941 -6.333 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 67.524 45.794 23.615 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 67.509 46.057 24.536 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 66.823 46.304 23.209 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 52.901 79.198 66.936 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 53.295 78.497 66.416 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 52.526 78.752 67.695 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 52.290 11.395 41.332 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 52.042 11.325 42.254 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 53.247 11.355 41.337 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 84.534 4.556 -16.384 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 84.489 5.452 -16.717 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 84.562 4.655 -15.432 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 74.655 64.391 10.227 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 73.713 64.228 10.185 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 74.756 65.296 9.934 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 60.995 26.660 36.043 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 61.913 26.395 36.107 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 60.506 25.920 36.402 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 64.002 27.380 13.817 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 63.068 27.586 13.792 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 64.434 28.232 13.889 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 25.621 37.332 66.366 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 26.553 37.498 66.509 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 25.504 37.420 65.420 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 89.180 24.163 45.309 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 88.954 23.400 45.842 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 88.723 24.020 44.481 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 58.814 72.671 1.388 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 59.152 73.005 2.219 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 59.049 71.743 1.389 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 80.217 78.184 51.697 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 81.055 78.621 51.546 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 79.779 78.725 52.353 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 47.220 76.846 7.179 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 48.159 76.756 7.341 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 47.063 76.332 6.387 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 65.988 84.550 8.547 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 65.263 84.926 8.048 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 66.061 85.106 9.322 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 38.631 89.927 48.170 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 38.598 90.846 48.433 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 39.300 89.896 47.486 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 78.483 8.054 38.946 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 77.826 8.726 39.127 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 78.101 7.529 38.242 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 26.263 40.049 32.381 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 26.911 39.784 31.728 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 26.267 41.006 32.348 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 73.185 21.426 33.872 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 73.933 22.004 34.022 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 72.441 21.894 34.252 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 73.405 68.815 -16.874 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 74.204 69.331 -16.767 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 73.053 68.730 -15.988 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 55.633 2.241 32.187 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 54.977 1.585 32.423 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 55.412 3.004 32.721 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 20.767 39.369 9.079 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 21.504 39.149 8.509 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 20.154 39.834 8.510 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 38.970 9.726 63.442 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 38.255 9.750 64.078 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 38.971 8.826 63.115 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 20.964 56.392 39.915 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 21.352 57.243 40.119 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 21.586 55.984 39.313 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 45.557 90.063 -18.494 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 46.175 89.974 -19.220 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 45.631 89.238 -18.014 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 61.453 19.069 48.066 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 61.118 18.173 48.092 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 62.316 18.991 47.660 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 48.199 70.341 0.082 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 47.704 70.968 0.609 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 48.742 69.871 0.716 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 33.391 59.714 -8.125 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 33.066 60.581 -8.371 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 34.310 59.858 -7.897 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 50.889 70.924 -10.536 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 50.265 70.596 -9.888 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 50.754 70.366 -11.302 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 74.529 93.663 47.431 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 75.055 93.399 48.186 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 73.976 92.904 47.246 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 67.383 39.208 39.315 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 68.009 39.379 38.611 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 67.411 39.997 39.857 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 56.585 2.125 0.498 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 56.163 2.011 1.350 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 55.880 2.006 -0.137 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 22.576 11.866 -13.296 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 23.330 12.240 -13.752 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 22.809 10.948 -13.160 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 30.572 95.097 -4.740 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 30.770 94.644 -3.921 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 30.962 94.546 -5.419 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 83.278 38.675 11.976 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 84.234 38.662 11.945 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 83.007 38.096 11.263 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 54.521 43.952 55.694 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 54.710 44.623 56.351 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 53.576 44.014 55.553 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 26.779 70.594 -5.997 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 26.803 70.716 -5.048 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 27.669 70.325 -6.227 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 57.728 86.296 -4.110 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 57.983 85.434 -3.780 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 56.772 86.298 -4.061 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 34.161 93.280 -19.936 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 34.140 92.398 -19.565 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 33.572 93.789 -19.380 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 85.835 69.796 -11.574 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 86.606 69.957 -11.029 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 85.652 68.863 -11.460 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 83.347 66.841 -8.522 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 83.353 67.574 -9.139 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 82.552 66.971 -8.005 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 73.990 9.043 50.076 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 73.063 8.850 49.936 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 74.069 9.981 49.898 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 70.152 75.791 42.555 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 69.470 75.983 41.912 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 70.871 75.425 42.040 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 27.559 56.186 25.931 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 28.252 55.642 25.558 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 26.893 56.229 25.246 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 86.662 29.995 -14.343 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 86.602 30.590 -13.596 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 85.783 29.625 -14.426 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 85.331 75.483 -8.784 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 84.382 75.491 -8.660 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 85.649 76.212 -8.252 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 73.563 75.555 10.644 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 73.078 74.732 10.581 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 73.787 75.771 9.739 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 66.464 76.454 25.097 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 66.221 75.536 25.212 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 67.279 76.427 24.596 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 62.944 15.902 12.651 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 63.106 15.893 11.707 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 62.661 15.010 12.853 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 43.010 34.004 54.406 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 42.451 33.726 55.131 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 42.896 33.326 53.741 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 41.014 40.105 43.407 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 40.607 40.926 43.130 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 40.750 39.469 42.741 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 29.750 17.551 65.220 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 29.679 17.569 66.174 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 29.472 18.424 64.942 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 32.505 96.088 -13.576 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 33.267 96.454 -13.128 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 31.882 95.898 -12.874 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 49.764 77.131 55.693 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 50.705 77.122 55.518 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 49.365 77.365 54.855 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 72.006 25.461 64.882 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 72.763 25.958 64.571 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 71.285 25.745 64.319 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 49.995 24.179 49.321 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 49.763 24.573 50.162 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 49.180 23.788 49.007 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 59.040 54.754 -17.185 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 58.143 55.086 -17.165 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 59.387 54.948 -16.314 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 87.577 19.143 -14.175 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 88.075 19.745 -13.621 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 86.777 18.969 -13.680 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 40.958 54.997 -17.363 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 40.855 54.142 -16.944 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 40.899 54.815 -18.300 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 66.986 54.511 52.665 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 66.092 54.679 52.366 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 67.507 54.484 51.863 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 49.478 61.496 50.419 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 49.251 62.425 50.374 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 49.463 61.201 49.508 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 26.948 73.317 40.767 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 27.179 72.493 41.196 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 26.879 73.094 39.839 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 63.903 64.505 62.805 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 64.400 63.958 63.414 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 64.483 65.243 62.617 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 52.518 3.725 35.320 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 53.380 3.495 35.667 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 52.703 4.167 34.491 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 62.493 32.066 8.295 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 61.643 31.690 8.069 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 62.282 32.847 8.806 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 27.776 55.427 65.706 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 27.859 55.730 66.610 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 27.125 56.011 65.316 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 24.016 90.449 57.674 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 23.572 90.497 56.828 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 23.522 91.043 58.239 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 82.927 81.124 -14.365 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 82.586 80.972 -15.246 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 82.308 80.676 -13.788 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 34.034 44.956 2.822 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 34.479 44.767 3.648 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 33.227 45.401 3.080 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 44.901 13.978 -9.512 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 44.540 13.168 -9.874 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 45.742 14.085 -9.956 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 42.412 44.879 34.673 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 42.198 45.574 34.050 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 43.369 44.863 34.695 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 56.525 88.204 44.396 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 56.905 89.052 44.166 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 55.789 88.418 44.970 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 88.895 73.484 -17.588 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 89.781 73.457 -17.226 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 88.371 72.964 -16.978 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 68.260 62.392 -1.576 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 67.973 62.750 -0.736 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 67.563 61.787 -1.830 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 43.041 60.147 47.997 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 43.774 59.718 47.554 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 43.187 61.082 47.850 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 81.903 37.357 57.133 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 82.400 37.153 57.926 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 81.285 38.035 57.405 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 23.197 55.695 -0.952 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 24.066 55.355 -1.166 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 22.777 54.989 -0.460 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 74.557 44.576 50.378 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 75.281 44.957 50.874 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 74.648 44.941 49.498 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 65.648 39.588 8.007 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 65.713 40.160 8.772 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 64.739 39.289 8.008 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 31.830 31.593 -0.056 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 32.017 31.611 0.883 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 30.875 31.556 -0.109 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 66.480 86.324 23.623 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 66.000 86.164 24.437 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 65.854 86.782 23.062 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 62.603 51.801 -13.887 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 62.624 52.418 -13.156 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 63.213 51.108 -13.634 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 21.878 4.675 -15.952 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 22.525 4.455 -16.622 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 21.135 4.100 -16.138 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 36.694 36.435 -4.895 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 36.000 36.949 -5.308 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 37.116 35.974 -5.620 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 44.083 52.297 -18.959 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 44.199 52.950 -19.649 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 44.958 51.936 -18.819 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 43.962 86.689 21.404 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 43.734 86.371 22.277 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 43.835 85.932 20.832 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 78.145 57.386 66.320 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 78.229 57.951 67.088 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 78.690 56.625 66.520 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 28.638 92.165 -18.785 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 28.587 91.468 -19.440 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 28.882 91.716 -17.976 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 82.440 12.374 -11.189 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 81.732 11.730 -11.162 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 82.760 12.342 -12.090 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 34.148 70.091 55.382 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 33.662 70.082 56.207 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 34.389 71.008 55.255 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 67.991 39.310 60.370 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 67.870 39.291 61.320 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 67.849 40.226 60.128 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 49.640 90.609 51.731 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 50.188 90.595 50.947 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 48.743 90.620 51.396 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 33.671 9.712 2.054 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 33.797 8.846 1.667 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 33.282 9.538 2.911 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 49.347 39.893 29.583 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 49.784 40.696 29.299 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 48.962 39.533 28.783 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 67.181 41.358 -4.064 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 66.856 42.014 -3.448 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 66.911 41.682 -4.924 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 86.081 62.008 51.538 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 86.214 62.546 50.757 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 85.136 61.864 51.572 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 76.991 2.341 10.400 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 77.352 1.703 11.016 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 77.755 2.804 10.058 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 81.800 52.002 -4.376 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 81.032 52.512 -4.632 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 82.174 52.484 -3.639 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 55.957 74.204 2.766 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 55.891 74.928 3.389 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 55.448 73.498 3.165 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 79.703 26.059 4.530 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 79.305 26.540 5.254 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 80.447 25.602 4.924 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 72.851 20.723 -18.686 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 72.967 21.669 -18.773 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 73.531 20.345 -19.244 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 47.608 58.276 -14.616 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 47.927 59.026 -15.119 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 48.400 57.801 -14.364 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 67.773 94.630 -7.578 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 68.616 94.598 -8.032 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 67.802 93.894 -6.966 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 25.708 78.407 12.805 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 25.531 77.600 13.288 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 26.313 78.894 13.364 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 74.465 81.523 51.361 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 73.647 81.879 51.707 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 74.362 80.574 51.432 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 83.050 77.508 31.112 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 83.652 76.805 30.866 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 82.607 77.741 30.297 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 31.079 77.972 2.945 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 30.736 78.865 2.896 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 31.437 77.805 2.073 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 31.855 58.757 42.874 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 32.247 59.580 43.164 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 32.581 58.133 42.871 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 36.484 55.717 32.207 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 36.652 56.216 31.408 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 36.881 54.861 32.043 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 38.405 64.314 34.522 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 38.652 65.217 34.321 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 38.966 63.781 33.959 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 26.200 82.011 41.630 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 26.096 81.435 40.873 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 27.147 82.089 41.745 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 40.279 80.290 -14.013 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 41.005 79.881 -13.542 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 39.499 79.837 -13.690 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 28.963 93.231 3.259 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 28.801 93.743 2.466 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 29.916 93.195 3.332 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 87.667 39.107 -9.642 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 86.812 39.026 -10.064 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 87.696 38.383 -9.017 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 46.464 77.820 -19.760 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 46.304 78.697 -19.411 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 46.146 77.859 -20.662 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 59.383 34.767 15.556 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 58.958 35.489 16.019 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 59.467 35.077 14.654 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 33.691 78.002 32.813 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 34.123 78.716 32.344 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 34.128 77.210 32.500 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 57.800 47.538 57.001 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 58.190 47.552 56.127 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 58.527 47.731 57.592 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 41.661 91.746 25.191 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 41.406 91.591 24.281 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 41.601 92.695 25.299 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 45.303 27.007 31.067 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 45.084 27.298 30.181 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 46.137 26.548 30.969 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 67.018 93.850 23.218 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 66.892 93.272 22.466 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 67.555 94.568 22.883 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 32.770 57.432 -6.257 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 32.668 57.932 -7.067 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 33.200 58.038 -5.654 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 55.781 83.185 -20.080 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 55.244 82.447 -20.369 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 55.928 83.024 -19.148 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 76.635 13.607 44.191 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 77.022 13.499 43.323 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 75.711 13.793 44.022 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 23.899 34.073 46.382 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 24.814 34.110 46.102 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 23.885 33.403 47.066 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 42.280 1.997 10.419 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 42.344 1.231 9.849 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 42.448 2.741 9.840 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 44.288 69.236 -11.405 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 44.068 69.978 -10.841 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 44.619 68.568 -10.806 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 49.780 93.633 66.253 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 48.839 93.759 66.376 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 49.977 92.825 66.727 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 50.082 7.169 38.706 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 49.703 6.312 38.508 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 50.643 7.363 37.955 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 26.736 25.128 -0.734 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 27.514 24.623 -0.498 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 26.854 25.329 -1.663 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 35.984 93.475 38.140 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 36.631 93.320 37.452 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 35.682 92.601 38.387 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 68.715 3.579 -18.624 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 68.000 4.214 -18.588 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 68.806 3.268 -17.723 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 40.073 0.495 44.004 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 40.896 0.426 43.521 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 39.471 0.918 43.392 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 47.487 43.638 -13.990 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 47.710 44.366 -13.410 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 48.128 42.958 -13.781 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 46.621 73.223 -18.212 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 47.042 73.465 -17.387 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 47.347 73.093 -18.822 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 43.457 95.289 0.877 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 43.571 95.273 1.827 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 42.517 95.170 0.746 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 25.097 81.567 -16.227 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 25.308 82.122 -15.476 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 24.165 81.372 -16.127 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 24.339 72.328 31.133 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 24.470 71.480 30.707 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 25.002 72.897 30.743 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 55.067 5.282 22.544 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 54.442 5.815 23.036 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 55.345 5.845 21.822 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 62.338 3.763 1.001 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 61.870 3.564 0.190 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 62.485 2.910 1.409 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 36.350 95.577 35.022 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 35.591 95.091 35.346 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 36.733 95.007 34.355 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 74.605 85.435 60.172 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 74.298 84.552 59.965 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 74.555 85.489 61.126 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 55.051 91.134 32.327 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 55.542 91.311 33.129 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 54.428 90.449 32.573 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 32.168 83.629 47.463 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 31.542 84.293 47.173 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 32.669 83.412 46.677 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 32.458 73.172 47.506 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 32.083 74.052 47.498 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 33.363 73.298 47.789 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 76.040 42.799 47.679 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 76.688 42.101 47.585 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 76.001 42.967 48.620 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 29.226 80.294 7.401 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 28.441 79.857 7.729 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 29.910 79.627 7.449 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 63.806 5.359 2.906 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 63.137 5.213 3.575 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 63.407 5.043 2.095 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 34.241 88.379 65.976 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 34.367 88.809 65.130 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 34.253 87.443 65.773 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 77.951 88.694 48.061 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 77.021 88.913 48.109 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 78.165 88.359 48.932 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 89.116 82.936 31.709 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 89.573 82.431 31.036 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 89.344 83.846 31.521 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 56.103 33.345 -14.170 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 56.077 33.308 -15.126 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 56.656 34.101 -13.975 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 77.100 2.267 14.385 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 77.555 2.486 13.572 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 76.892 1.336 14.301 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 24.645 13.417 54.835 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 23.865 13.839 55.195 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 24.395 13.167 53.945 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 38.007 42.445 18.266 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 38.935 42.441 18.504 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 37.926 43.158 17.632 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 41.677 87.997 38.059 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 42.372 87.367 38.248 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 41.326 87.721 37.213 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 34.931 87.251 -4.964 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 35.181 86.331 -5.048 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 34.012 87.227 -4.696 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 31.596 16.713 -13.096 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 32.179 17.055 -13.774 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 31.355 15.839 -13.404 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 67.964 65.697 38.205 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 68.358 64.845 38.017 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 67.093 65.490 38.542 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 88.269 26.084 61.189 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 87.597 25.422 61.023 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 87.882 26.658 61.850 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 76.161 89.746 20.245 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 76.786 89.022 20.217 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 76.200 90.062 21.148 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 77.649 71.349 28.217 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 77.263 70.473 28.242 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 77.600 71.607 27.297 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 58.965 2.043 9.425 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 58.134 2.508 9.322 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 59.430 2.532 10.104 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 68.742 51.662 33.344 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 68.177 51.334 32.644 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 68.159 52.178 33.901 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 73.936 27.216 64.418 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 74.145 28.136 64.577 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 74.635 26.907 63.842 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 73.908 29.850 5.049 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 73.852 30.584 5.661 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 73.634 29.089 5.562 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 22.873 9.249 53.997 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 22.838 9.109 54.944 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 23.662 9.774 53.862 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 56.142 95.872 3.298 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 55.365 95.446 2.936 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 56.788 95.170 3.372 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 32.280 71.883 37.582 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 33.118 71.825 38.041 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 32.517 71.944 36.657 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 78.927 75.947 54.375 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 78.991 76.193 55.298 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 77.989 75.957 54.189 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 53.691 87.262 44.560 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 52.928 87.452 44.014 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 53.681 87.943 45.232 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 84.046 25.842 37.752 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 83.674 25.253 38.408 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 84.159 25.295 36.974 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 33.935 8.566 46.621 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 34.092 7.626 46.711 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 34.666 8.881 46.090 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 70.537 22.273 -15.891 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 71.404 22.266 -15.485 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 70.074 22.989 -15.456 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 27.127 44.835 12.717 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 27.867 44.350 13.083 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 26.646 45.152 13.481 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 82.147 30.089 26.639 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 82.553 29.838 25.810 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 82.280 31.035 26.695 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 29.831 91.874 19.366 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 30.320 91.320 18.758 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 28.918 91.781 19.094 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 55.307 21.898 32.534 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 55.632 20.998 32.517 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 55.139 22.110 31.616 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 63.703 29.593 -18.777 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 63.157 30.302 -18.438 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 63.137 29.130 -19.395 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 21.386 57.618 25.317 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 21.606 58.113 26.106 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 22.221 57.507 24.863 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 62.037 28.056 66.909 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 61.260 27.704 67.343 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 62.411 27.308 66.443 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 55.294 24.631 -7.483 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 55.909 25.361 -7.410 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 55.023 24.455 -6.583 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 82.824 53.709 16.452 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 83.553 53.624 15.837 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 82.915 52.958 17.038 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 24.716 79.017 20.827 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 23.861 78.924 20.405 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 24.531 78.940 21.763 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 21.544 37.131 65.396 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 20.731 37.037 65.891 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 22.228 36.838 65.999 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 59.523 12.336 0.279 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 59.766 13.210 0.584 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 60.206 12.103 -0.351 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 33.194 62.199 64.683 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 32.436 62.618 65.090 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 32.936 61.283 64.582 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 71.398 49.446 34.895 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 70.634 48.955 34.592 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 71.507 50.143 34.248 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 60.016 10.206 45.213 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 60.630 9.484 45.348 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 59.194 9.780 44.971 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 38.708 45.625 19.726 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 39.392 46.294 19.705 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 38.702 45.315 20.631 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 26.319 92.681 47.918 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 25.748 92.003 48.279 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 26.165 93.444 48.475 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 61.668 54.799 21.647 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 61.074 54.443 20.987 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 61.151 55.465 22.101 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 39.712 77.469 24.739 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 40.517 77.010 24.499 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 39.354 76.960 25.467 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 88.154 78.971 47.155 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 88.650 79.712 46.806 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 87.355 78.948 46.629 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 39.083 77.640 32.684 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 39.580 77.633 33.502 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 39.413 78.403 32.209 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 88.969 90.958 27.473 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 89.174 91.615 26.808 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 88.072 91.158 27.740 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 41.034 20.866 66.002 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 40.495 20.286 65.464 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 40.535 20.974 66.812 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 32.563 83.744 0.174 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 32.950 82.880 0.315 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 33.129 84.157 -0.478 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 33.823 84.204 53.059 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 32.883 84.036 52.994 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 33.885 85.064 53.475 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 46.703 56.553 2.893 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 47.472 56.754 2.360 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 46.763 57.152 3.637 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 65.779 2.754 25.768 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 66.139 3.079 26.593 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 66.547 2.585 25.221 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 60.038 61.498 44.218 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 59.170 61.213 43.932 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 60.569 61.488 43.422 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 30.886 3.629 21.290 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 29.942 3.769 21.210 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 31.237 4.487 21.528 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 84.752 42.989 1.647 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 84.164 43.742 1.596 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 84.341 42.406 2.285 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 66.681 33.247 9.745 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 65.772 33.518 9.620 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 67.157 34.065 9.892 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 39.536 6.989 -1.438 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 38.907 6.270 -1.371 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 39.329 7.558 -0.697 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 80.773 17.242 -19.069 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 80.991 16.313 -18.991 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 80.257 17.434 -18.286 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 55.650 92.201 -6.008 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 56.602 92.283 -6.063 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 55.368 92.997 -5.555 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 85.478 67.630 -14.010 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 85.719 67.785 -13.097 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 84.528 67.740 -14.030 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 85.958 87.680 62.002 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 85.031 87.527 62.186 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 86.254 86.878 61.571 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 56.522 11.621 61.052 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 56.578 10.669 60.971 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 57.249 11.950 60.524 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 87.470 64.688 63.484 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 86.701 64.867 64.025 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 87.377 63.770 63.231 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 62.811 76.178 27.626 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 63.542 75.637 27.328 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 62.069 75.575 27.671 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 66.213 75.753 13.943 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 66.139 74.802 13.864 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 66.301 76.062 13.041 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 62.204 55.197 53.881 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 62.218 54.315 54.252 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 62.848 55.170 53.173 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 86.408 22.478 34.828 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 87.198 23.010 34.928 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 86.307 22.372 33.882 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 74.696 60.304 -10.459 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 74.579 60.497 -9.529 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 74.314 61.057 -10.910 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 65.944 40.927 21.271 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 65.206 41.022 21.873 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 65.686 40.214 20.687 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 65.328 9.071 42.575 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 65.659 9.310 41.710 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 64.585 8.494 42.397 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 46.471 80.963 13.965 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 46.351 80.284 13.302 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 46.103 80.586 14.764 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 77.454 57.969 -13.803 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 76.881 58.706 -13.590 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 77.810 57.691 -12.959 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 37.162 40.583 -6.627 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 37.491 39.740 -6.316 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 36.791 40.998 -5.848 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 86.765 40.361 18.258 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 87.435 39.887 17.765 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 86.521 39.765 18.966 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 20.805 42.195 44.927 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 20.474 42.899 45.484 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 20.058 41.608 44.812 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 35.379 90.590 55.057 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 35.414 91.190 54.313 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 34.452 90.556 55.295 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 35.268 37.541 25.091 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 35.551 37.825 24.222 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 35.149 36.595 25.008 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 20.166 62.454 32.658 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 19.931 62.014 33.475 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 20.880 61.928 32.298 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 77.527 55.098 39.142 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 76.921 55.790 38.877 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 78.327 55.561 39.389 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 73.452 51.887 -3.589 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 73.250 51.343 -2.827 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 73.703 52.733 -3.219 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 43.527 83.674 59.293 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 44.253 83.229 58.857 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 43.698 83.555 60.227 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 46.749 1.933 -13.496 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 46.509 2.569 -12.823 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 46.454 1.092 -13.148 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 85.816 79.958 17.202 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 85.257 80.363 16.539 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 85.208 79.660 17.879 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 23.611 82.376 15.516 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 23.499 81.425 15.510 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 24.484 82.512 15.884 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 28.359 63.208 49.657 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 29.232 62.910 49.909 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 28.369 63.197 48.700 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 48.660 91.112 54.321 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 47.758 91.123 54.001 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 49.176 90.804 53.576 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 84.020 65.249 14.031 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 84.114 66.071 14.512 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 84.842 64.784 14.187 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 37.402 55.219 -0.068 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 37.274 54.724 0.741 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 37.627 56.102 0.224 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 39.180 75.489 57.736 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 39.882 75.534 57.087 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 38.415 75.193 57.242 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 63.919 34.376 22.972 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 63.499 35.183 22.673 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 64.081 33.878 22.171 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 66.474 67.872 0.343 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 67.346 67.516 0.174 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 66.084 67.976 -0.525 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 81.998 52.091 37.871 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 81.162 52.313 37.461 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 82.644 52.614 37.397 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 70.685 16.085 49.912 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 70.634 16.758 49.234 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 70.621 16.567 50.736 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 69.495 70.400 -14.716 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 69.553 69.487 -14.996 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 70.265 70.531 -14.163 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 65.333 54.193 26.833 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 64.426 53.933 26.993 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 65.265 54.976 26.287 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 31.572 38.134 5.279 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 32.494 38.390 5.262 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 31.171 38.722 5.920 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 43.512 7.234 -12.717 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 43.397 6.540 -13.366 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 42.803 7.096 -12.089 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 23.121 89.254 21.666 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 22.675 90.090 21.536 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 23.987 89.380 21.278 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 83.231 57.667 37.455 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 83.706 58.451 37.732 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 82.507 58.000 36.926 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 79.367 30.931 -9.337 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 80.094 30.567 -9.841 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 79.363 30.426 -8.523 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 38.693 52.962 -1.103 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 39.297 52.981 -1.845 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 38.398 53.867 -1.010 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 70.017 58.146 22.504 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 69.598 58.880 22.955 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 69.319 57.757 21.977 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 60.753 52.993 38.895 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 60.452 53.314 39.745 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 60.824 53.779 38.353 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 52.682 47.542 -15.508 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 53.293 48.248 -15.720 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 53.121 47.045 -14.817 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 20.394 84.570 64.690 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 20.666 85.481 64.579 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 21.070 84.061 64.243 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 69.352 94.532 48.215 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 69.530 94.657 49.146 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 69.041 95.385 47.913 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 27.333 45.868 54.637 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 27.079 46.791 54.653 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 28.264 45.879 54.413 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 37.925 87.166 -19.761 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 37.393 86.377 -19.866 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 38.526 86.956 -19.046 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 20.602 49.946 -11.164 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 20.217 50.797 -11.374 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 19.879 49.442 -10.789 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 53.239 68.811 55.946 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 53.623 68.216 56.589 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 53.308 68.343 55.114 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 61.941 24.329 48.944 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 61.791 25.210 48.602 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 61.152 23.842 48.704 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 34.093 71.917 2.970 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 34.009 71.951 3.923 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 33.455 71.258 2.696 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 41.404 83.803 -11.935 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 40.653 83.614 -11.372 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 42.163 83.518 -11.428 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 67.241 30.847 44.753 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 66.689 30.212 44.298 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 66.642 31.550 45.003 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 73.234 51.921 63.935 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 73.232 51.350 63.167 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 72.626 52.625 63.712 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 39.607 64.209 49.038 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 39.889 64.870 48.405 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 40.196 63.469 48.889 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 43.165 64.383 40.268 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 42.681 65.203 40.372 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 43.753 64.354 41.023 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 49.740 60.725 47.850 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 48.815 60.822 47.622 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 50.160 60.447 47.037 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 66.427 87.128 -15.534 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 66.894 87.165 -16.368 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 65.591 87.561 -15.707 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 88.408 89.133 57.168 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 87.565 89.412 56.808 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 88.292 89.182 58.116 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 42.880 46.998 57.596 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 43.347 47.663 57.089 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 42.051 47.414 57.830 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 24.782 46.255 38.842 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 24.881 46.264 39.794 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 25.639 45.984 38.514 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 81.867 79.122 41.836 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 82.372 78.311 41.772 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 81.248 79.078 41.107 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 88.992 86.924 16.528 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 89.665 87.505 16.883 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 88.419 86.738 17.272 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 36.696 55.120 65.462 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 35.930 55.581 65.805 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 36.558 54.206 65.713 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 56.039 68.932 53.615 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 55.493 69.178 52.868 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 55.480 68.362 54.143 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 74.132 79.507 64.852 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 73.781 78.853 65.456 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 74.463 78.997 64.112 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 74.704 66.909 8.951 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 73.914 67.336 8.621 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 75.396 67.190 8.353 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 53.232 57.426 -11.987 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 54.159 57.204 -12.081 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 53.233 58.302 -11.602 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 42.642 94.790 65.703 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 43.077 95.607 65.459 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 42.498 94.867 66.646 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 42.167 49.216 31.639 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 42.026 48.910 32.535 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 41.289 49.410 31.311 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 22.932 9.780 43.419 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 23.774 10.230 43.340 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 22.723 9.504 42.527 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 87.893 80.504 -18.700 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 87.687 80.010 -19.493 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 87.119 80.402 -18.146 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 22.483 62.448 -12.845 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 23.193 61.809 -12.898 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 22.464 62.858 -13.710 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 59.110 27.707 29.318 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 59.251 28.538 28.863 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 59.647 27.771 30.107 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 36.325 24.545 45.250 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 36.938 24.419 44.526 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 36.883 24.671 46.018 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 70.132 69.633 -8.066 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 70.281 69.482 -8.999 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 69.423 69.033 -7.836 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 78.580 91.826 49.935 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 78.788 90.897 50.037 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 79.393 92.280 50.157 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 23.020 15.854 4.575 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 23.670 16.526 4.366 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 23.503 15.203 5.084 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 65.772 81.263 21.102 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 65.157 80.535 21.197 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 65.227 82.002 20.833 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 38.941 39.185 63.378 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 39.654 39.617 62.906 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 38.537 39.884 63.892 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 78.817 93.815 23.171 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 79.176 93.750 24.056 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 77.880 93.960 23.302 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 41.460 14.729 36.683 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 41.498 15.619 37.034 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 42.294 14.615 36.226 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 25.360 56.886 65.076 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 24.752 57.613 65.209 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 25.101 56.508 64.235 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 89.186 42.363 3.640 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 88.464 42.631 3.072 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 89.408 41.479 3.346 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 40.693 87.489 59.703 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 40.269 87.234 60.522 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 40.295 86.924 59.040 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 36.232 82.352 -13.913 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 35.731 82.781 -14.607 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 36.836 83.027 -13.602 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 76.939 34.490 64.238 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 77.889 34.606 64.248 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 76.600 35.314 63.889 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 62.339 34.968 -9.638 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 62.263 34.712 -8.719 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 61.509 35.404 -9.835 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 90.321 10.462 50.092 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 91.173 10.407 49.658 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 90.530 10.541 51.022 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 88.325 68.713 63.676 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 87.655 69.320 63.991 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 88.375 68.039 64.353 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 83.807 94.677 12.767 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 83.527 94.820 11.863 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 84.406 95.401 12.950 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 46.570 32.187 51.664 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 46.660 32.099 52.613 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 46.945 33.046 51.466 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 71.312 64.283 31.532 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 70.786 64.973 31.127 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 70.790 63.488 31.424 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 87.564 47.227 56.644 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 87.584 46.496 57.261 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 86.809 47.048 56.084 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 82.954 71.764 -4.533 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 82.173 71.262 -4.766 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 83.425 71.203 -3.917 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 78.823 69.545 -2.559 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 77.948 69.934 -2.569 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 78.714 68.721 -2.085 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 59.847 82.204 11.801 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 59.408 81.370 11.970 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 60.738 81.960 11.548 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 56.470 79.568 66.128 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 56.149 78.670 66.053 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 57.422 79.478 66.182 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 25.372 74.725 66.140 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 24.600 75.130 66.534 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 25.067 73.869 65.838 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 43.991 25.224 4.795 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 44.812 25.277 4.307 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 43.774 26.134 4.999 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 26.382 63.840 13.824 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 26.844 64.180 14.591 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 25.496 63.662 14.137 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 85.575 53.406 61.656 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 85.300 53.568 60.754 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 85.952 54.238 61.945 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 24.300 82.797 45.767 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 24.271 83.637 45.309 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 24.582 82.170 45.101 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 62.824 45.880 56.442 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 62.370 45.489 55.696 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 62.257 45.698 57.191 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 32.150 75.723 13.059 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 32.990 75.415 12.717 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 31.529 75.564 12.348 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 30.212 76.426 19.269 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 29.831 76.135 18.441 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 30.149 75.663 19.844 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 27.376 66.935 60.286 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 27.255 67.881 60.209 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 27.828 66.684 59.481 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 86.383 43.056 17.824 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 87.231 43.416 17.565 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 86.591 42.203 18.205 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 83.976 53.429 59.404 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 83.771 54.072 60.083 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 83.187 52.892 59.335 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 27.304 16.500 -10.552 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 27.798 16.133 -9.819 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 26.486 16.004 -10.561 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 47.477 23.287 55.486 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 47.959 24.041 55.824 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 47.984 22.528 55.776 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 24.279 60.383 41.918 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 24.603 59.863 42.653 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 24.239 61.277 42.257 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 69.068 94.829 64.969 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 68.435 95.490 65.249 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 69.915 95.271 65.021 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 24.259 72.372 -4.403 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 24.050 72.335 -3.470 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 25.166 72.676 -4.434 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 45.179 0.461 30.348 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 45.572 0.808 31.149 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 45.926 0.218 29.800 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 31.445 84.116 -8.565 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 31.311 84.605 -7.753 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 30.808 84.486 -9.176 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 85.726 74.359 16.580 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 85.592 73.411 16.579 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 85.794 74.591 17.507 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 71.175 58.338 52.874 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 71.509 59.197 52.615 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 70.843 57.956 52.062 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 37.041 8.821 58.819 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 37.120 8.517 59.723 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 36.114 9.037 58.719 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 67.116 73.313 -13.000 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 67.484 73.771 -13.755 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 67.069 72.397 -13.274 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 50.576 67.164 -17.629 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 51.006 67.933 -18.002 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 49.955 67.521 -16.994 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 22.436 72.505 -6.545 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 21.654 71.983 -6.366 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 22.925 72.496 -5.723 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 43.944 89.902 -3.014 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 44.540 89.459 -2.410 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 43.557 89.195 -3.530 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 28.255 95.564 48.931 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 28.870 94.861 48.723 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 28.809 96.325 49.102 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 48.043 64.947 -3.922 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 47.392 65.473 -3.458 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 47.970 64.076 -3.533 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 34.009 84.505 38.311 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 33.968 85.183 38.985 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 34.702 84.797 37.718 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 30.905 45.223 -2.871 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 31.115 44.961 -1.975 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 30.775 44.398 -3.338 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 42.705 82.318 7.748 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 42.321 83.117 7.387 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 42.316 82.237 8.618 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 86.262 78.648 58.691 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 86.548 79.560 58.736 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 85.821 78.493 59.527 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 68.989 16.961 62.027 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 69.646 17.169 61.364 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 68.260 17.551 61.837 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 89.431 12.165 -18.540 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 89.897 12.337 -17.722 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 88.551 11.908 -18.264 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 43.676 76.338 11.298 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 43.175 75.556 11.066 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 44.195 76.532 10.517 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 37.982 15.008 18.862 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 37.833 15.262 17.951 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 38.928 14.870 18.921 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 70.186 21.528 42.989 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 70.444 21.525 42.068 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 70.719 22.216 43.387 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 66.096 60.751 -1.332 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 66.048 60.818 -0.378 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 65.374 60.167 -1.568 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 75.872 71.534 -14.909 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 75.241 70.841 -14.715 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 76.332 71.228 -15.691 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 23.326 6.380 52.092 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 23.720 6.346 52.964 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 22.975 5.500 51.953 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 73.038 82.837 44.765 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 73.979 82.977 44.659 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 72.762 82.433 43.943 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 24.357 48.328 48.011 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 23.539 48.230 48.498 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 24.754 49.124 48.366 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 80.353 85.756 -14.032 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 80.341 85.672 -13.079 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 80.069 86.655 -14.197 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 27.549 49.097 51.382 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 28.123 48.426 51.752 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 27.942 49.309 50.535 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 81.486 37.318 16.051 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 80.852 37.347 16.767 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 81.586 38.231 15.782 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 61.536 78.318 50.819 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 61.385 79.105 51.343 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 60.876 77.696 51.125 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 48.609 65.974 7.642 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 48.413 65.447 8.417 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 48.902 66.815 7.993 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 85.104 16.597 66.793 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 86.042 16.684 66.622 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 84.971 15.659 66.932 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 72.145 4.671 42.560 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 71.415 4.790 41.953 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 72.020 5.352 43.222 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 57.441 83.723 49.704 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 57.606 82.856 49.334 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 56.612 83.998 49.312 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 83.100 94.497 44.352 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 82.845 95.109 43.661 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 82.569 94.751 45.106 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 59.441 49.025 2.747 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 60.016 48.296 2.514 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 59.990 49.603 3.277 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 40.362 82.093 64.058 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 39.500 82.141 64.471 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 40.416 81.199 63.719 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 79.268 42.136 25.134 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 79.870 42.679 24.624 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 79.703 42.025 25.980 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 33.484 39.648 26.120 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 34.064 40.331 25.783 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 33.843 38.833 25.769 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 46.174 13.552 52.914 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 47.114 13.685 53.030 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 45.790 13.808 53.753 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 69.422 90.436 33.712 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 69.015 90.209 34.548 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 69.767 89.607 33.380 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 86.763 67.964 3.463 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 85.936 67.481 3.444 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 87.417 67.310 3.711 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 29.612 17.274 -5.906 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 29.971 17.622 -5.090 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 29.380 16.369 -5.699 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 30.829 54.699 -9.598 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 31.359 53.980 -9.254 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 31.410 55.459 -9.572 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 85.894 79.927 26.017 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 86.056 79.683 26.929 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 86.592 79.494 25.525 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 66.219 47.297 8.382 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 66.243 46.387 8.676 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 65.488 47.686 8.863 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 87.384 58.449 -0.309 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 86.804 58.458 -1.070 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 88.159 57.971 -0.605 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 62.858 17.145 63.404 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 61.905 17.222 63.353 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 63.151 17.192 62.494 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 82.913 47.643 39.644 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 82.133 47.922 40.124 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 82.699 46.764 39.329 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 41.760 53.913 -0.754 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 41.593 54.012 0.184 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 41.945 54.801 -1.060 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 33.093 43.861 5.650 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 34.040 43.845 5.513 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 32.985 43.758 6.595 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 44.235 54.968 59.439 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 44.357 55.059 60.384 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 45.090 54.686 59.113 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 21.817 64.938 4.323 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 21.311 64.427 3.692 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 22.716 64.625 4.222 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 55.258 23.419 44.211 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 55.394 24.057 43.511 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 54.581 23.810 44.763 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 57.238 22.818 2.400 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 56.462 23.203 1.993 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 57.058 21.878 2.421 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 38.468 40.647 41.724 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 37.935 40.058 41.190 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 37.840 41.081 42.301 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 23.319 23.427 -11.174 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 24.193 23.232 -11.513 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 23.379 23.244 -10.237 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 89.726 47.810 38.601 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 89.337 47.635 37.744 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 89.070 48.333 39.061 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 58.684 51.322 55.532 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 58.383 51.892 56.240 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 58.872 51.919 54.808 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 43.694 40.671 -0.852 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 43.062 41.253 -0.429 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 44.275 41.259 -1.335 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 68.484 36.351 40.324 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 67.852 36.655 39.673 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 68.894 37.152 40.651 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 54.867 39.707 -7.188 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 55.792 39.697 -6.943 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 54.429 40.137 -6.453 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 39.405 30.644 23.338 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 39.406 30.595 24.294 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 39.152 31.547 23.145 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 49.878 12.369 20.639 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 49.060 11.946 20.375 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 49.662 12.825 21.452 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 82.219 77.615 45.824 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 82.642 78.339 45.363 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 82.594 77.639 46.705 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 50.057 47.260 61.333 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 49.393 47.206 60.646 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 50.837 47.592 60.888 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 50.706 75.552 -14.821 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 51.374 75.139 -15.368 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 51.199 75.977 -14.120 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 25.155 72.905 52.062 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 24.901 73.487 51.346 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 26.109 72.861 52.009 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 75.583 72.228 62.063 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 75.084 72.615 62.782 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 75.566 71.287 62.238 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 67.682 76.008 34.048 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 67.173 76.792 33.841 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 67.110 75.280 33.808 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 44.976 75.767 25.181 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 44.620 75.077 24.622 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 45.888 75.515 25.324 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 53.383 54.316 62.400 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 52.454 54.498 62.541 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 53.542 53.499 62.872 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 68.139 8.196 64.844 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 67.972 8.671 65.658 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 68.394 7.318 65.126 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 24.184 15.246 11.273 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 23.939 14.563 11.897 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 24.844 15.766 11.734 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 35.735 77.733 -0.167 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 36.149 77.716 0.696 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 36.376 78.162 -0.733 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 27.262 74.422 -19.069 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 26.532 74.757 -19.590 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 28.009 74.434 -19.667 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 37.261 40.310 37.182 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 37.941 40.963 37.344 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 37.614 39.765 36.478 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 30.168 94.905 25.654 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 29.478 94.420 26.106 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 30.957 94.736 26.169 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 26.984 65.093 53.169 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 27.448 65.674 52.566 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 27.455 65.182 53.997 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 54.051 84.555 3.729 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 54.556 85.202 4.221 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 53.699 83.966 4.396 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 85.674 68.180 23.894 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 85.998 68.439 24.756 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 85.061 67.467 24.072 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 86.137 54.692 -18.629 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 86.225 53.799 -18.295 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 85.494 55.103 -18.051 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 88.344 65.309 -1.514 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 88.421 65.933 -0.792 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 88.254 64.458 -1.086 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 40.809 89.481 21.985 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 40.282 88.799 22.401 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 40.279 90.275 22.063 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 88.568 6.590 3.906 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 87.907 7.103 3.439 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 89.394 6.821 3.482 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 63.363 20.234 40.904 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 63.847 19.815 41.615 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 63.105 19.511 40.331 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 49.493 8.006 -14.176 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 49.698 8.767 -13.633 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 50.218 7.400 -14.024 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 41.289 51.361 -1.784 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 41.417 52.234 -1.413 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 41.101 50.805 -1.028 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 85.722 32.429 46.104 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 86.677 32.463 46.062 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 85.438 33.305 45.843 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 29.854 82.108 5.324 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 29.728 81.411 5.968 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 30.169 81.657 4.541 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 72.786 69.787 28.219 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 72.078 69.509 28.801 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 72.695 70.739 28.168 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 32.978 53.104 -10.420 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 33.528 53.887 -10.424 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 33.385 52.529 -9.771 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 59.069 92.373 61.015 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 59.679 91.696 61.307 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 59.587 92.925 60.428 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 57.316 0.567 50.131 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 56.954 0.128 50.901 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 58.261 0.572 50.280 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 87.549 6.382 42.530 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 87.592 5.744 43.243 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 88.453 6.672 42.413 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 26.581 76.711 61.977 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 27.296 77.324 62.144 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 27.009 75.937 61.610 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 68.183 27.335 -19.019 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 67.580 27.742 -18.396 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 67.794 27.507 -19.876 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 60.617 75.099 17.535 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 60.274 74.280 17.177 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 61.048 74.843 18.350 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 59.583 85.926 62.892 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 59.329 85.099 62.483 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 59.059 85.968 63.692 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 70.092 41.120 38.055 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 69.553 41.900 38.188 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 69.698 40.682 37.301 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 89.732 93.281 19.651 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 89.685 92.349 19.434 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 90.232 93.669 18.932 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 87.784 10.172 44.688 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 86.982 9.651 44.722 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 88.061 10.245 45.601 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 75.019 37.768 11.563 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 75.070 38.447 10.891 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 74.439 37.104 11.190 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 80.816 90.473 -4.188 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 80.317 90.178 -4.949 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 81.649 90.777 -4.550 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 63.416 37.014 21.731 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 62.667 37.508 22.064 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 63.741 37.536 20.997 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 43.647 72.849 35.058 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 43.330 71.959 35.212 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 44.508 72.731 34.657 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 72.933 71.976 40.204 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 72.166 72.503 40.430 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 72.765 71.680 39.309 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 49.909 94.565 -0.472 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 50.410 94.821 0.303 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 50.259 93.707 -0.711 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 28.805 59.300 46.718 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 28.838 58.906 45.846 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 28.622 58.568 47.306 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 35.532 92.005 52.894 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 35.790 92.807 53.349 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 35.476 92.259 51.973 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 35.910 76.787 43.270 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 36.572 76.127 43.478 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 35.403 76.400 42.556 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 30.051 18.831 50.622 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 30.455 18.720 51.482 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 30.755 19.169 50.068 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 89.131 60.390 39.516 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 89.543 59.608 39.882 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 89.783 60.742 38.909 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 49.469 88.033 -0.989 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 49.865 87.863 -0.134 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 50.212 88.203 -1.568 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 29.852 78.504 28.669 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 29.201 78.266 28.009 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 29.592 79.378 28.959 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 80.907 75.045 53.153 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 80.078 75.431 53.437 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 81.060 75.417 52.285 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 40.400 48.844 42.559 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 39.863 49.598 42.801 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 39.856 48.349 41.946 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 21.903 37.286 39.936 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 21.782 37.665 39.066 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 21.471 37.902 40.528 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 43.370 71.753 57.361 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 43.551 71.466 56.466 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 43.399 72.708 57.318 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 37.180 67.810 15.893 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 37.251 67.597 16.824 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 37.918 67.356 15.486 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 30.923 66.972 42.510 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 31.523 67.718 42.493 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 31.245 66.389 41.823 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 39.848 3.674 -1.400 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 40.187 4.023 -2.225 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 39.002 4.109 -1.287 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 83.852 53.112 7.918 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 83.884 52.848 8.837 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 84.478 53.834 7.855 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 24.961 65.668 47.250 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 24.439 65.365 47.993 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 25.773 65.165 47.305 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 34.171 61.394 57.282 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 33.414 61.393 56.695 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 34.864 60.966 56.780 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 51.553 55.227 50.078 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 50.627 55.095 49.878 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 52.013 54.928 49.294 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 83.552 55.663 57.483 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 83.098 56.115 58.194 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 84.272 55.202 57.913 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 20.339 43.912 58.927 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 20.381 42.958 58.993 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 20.581 44.225 59.798 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 20.760 15.623 63.670 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 20.758 16.580 63.683 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 21.295 15.374 64.424 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 39.483 5.555 -14.315 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 40.083 6.188 -14.711 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 39.777 5.480 -13.408 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 36.326 74.830 22.007 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 36.638 73.938 22.160 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 35.373 74.764 22.065 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 86.219 57.504 -4.706 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 85.879 57.915 -3.912 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 87.132 57.790 -4.752 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 30.846 67.280 46.964 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 30.293 67.700 46.305 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 31.596 66.948 46.472 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 80.431 66.653 58.193 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 79.881 65.989 57.777 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 81.300 66.255 58.232 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 21.329 67.981 36.893 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 20.798 67.820 36.113 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 20.695 68.030 37.609 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 51.250 71.594 8.649 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 50.940 72.317 9.194 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 51.645 70.979 9.267 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 49.368 15.991 66.927 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 49.826 16.747 67.295 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 49.362 16.152 65.983 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 44.444 11.764 47.767 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 44.603 10.845 47.549 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 44.730 11.847 48.676 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 47.904 71.739 2.452 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 47.731 71.185 3.213 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 48.779 72.094 2.608 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 25.008 6.045 -9.711 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 25.934 6.195 -9.516 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 24.544 6.700 -9.190 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 43.322 79.767 65.085 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 43.766 80.615 65.078 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 42.400 79.979 65.225 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 83.127 56.403 45.128 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 82.941 57.281 45.462 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 84.082 56.364 45.076 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 46.001 27.712 -8.396 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 46.152 27.076 -7.697 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 45.139 28.082 -8.202 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 59.297 58.501 34.967 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 59.696 58.796 34.149 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 58.475 58.090 34.699 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 86.277 56.376 63.766 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 86.519 56.378 64.693 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 85.479 56.904 63.726 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 77.836 32.111 0.269 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 77.470 31.863 1.118 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 77.172 32.680 -0.121 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 85.072 68.224 -4.764 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 85.296 68.139 -5.691 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 85.543 67.508 -4.337 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 78.845 87.778 6.606 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 79.406 87.075 6.278 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 78.018 87.664 6.139 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 88.370 0.710 7.877 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 88.354 1.164 7.035 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 87.700 1.150 8.400 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 40.065 42.370 -10.164 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 39.811 43.175 -10.615 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 40.539 41.864 -10.824 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 20.410 49.451 7.108 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 19.913 50.206 7.422 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 20.706 49.010 7.904 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 73.443 26.270 60.712 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 73.769 26.589 59.870 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 73.122 25.388 60.526 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 58.204 90.674 -8.857 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 57.665 90.472 -8.092 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 57.931 91.553 -9.118 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 71.337 79.693 63.990 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 72.271 79.500 64.077 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 71.097 79.336 63.135 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 21.207 86.192 1.764 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 22.145 86.122 1.583 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 21.159 86.519 2.662 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 76.267 85.778 -3.741 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 75.477 85.584 -4.245 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 76.805 84.991 -3.826 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 58.025 84.914 -10.172 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 58.748 84.474 -10.619 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 57.458 84.202 -9.877 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 48.927 88.705 57.015 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 49.392 89.038 56.248 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 48.086 88.400 56.673 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 35.532 17.488 29.772 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 35.092 17.108 29.012 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 36.261 17.986 29.403 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 30.039 76.073 63.496 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 30.558 76.404 64.229 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 29.168 75.929 63.865 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 84.173 32.414 59.556 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 83.701 31.603 59.743 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 83.528 33.106 59.699 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 32.893 75.038 -5.156 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 33.302 74.887 -6.008 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 32.836 74.168 -4.760 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 29.071 87.989 17.818 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 29.456 88.337 18.622 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 29.803 87.939 17.203 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 36.053 59.695 56.293 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 36.707 60.141 56.831 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 36.253 59.968 55.397 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 58.247 6.028 41.445 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 57.681 5.429 40.957 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 57.711 6.318 42.183 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 48.593 32.103 -4.344 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 48.610 32.971 -3.939 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 49.057 32.216 -5.173 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 80.437 79.779 59.263 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 79.775 79.963 58.597 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 80.570 78.833 59.215 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 72.001 39.269 -12.004 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 72.696 39.005 -12.606 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 72.421 39.283 -11.144 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 36.907 62.173 -1.237 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 36.175 61.803 -0.743 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 36.958 63.083 -0.944 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 84.885 29.821 28.541 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 85.155 30.502 29.158 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 85.409 29.986 27.757 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 52.003 53.927 45.580 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 52.672 53.716 44.930 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 51.646 54.768 45.293 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 23.499 75.976 35.965 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 24.092 75.517 35.372 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 23.551 75.484 36.785 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 76.920 80.282 29.722 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 76.409 79.584 30.132 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 76.387 81.068 29.835 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 76.400 71.371 59.606 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 75.814 71.730 60.272 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 77.022 70.834 60.098 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 72.232 80.500 48.481 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 71.683 80.091 47.812 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 72.887 80.992 47.986 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 52.014 89.077 50.256 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 51.878 88.225 50.671 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 52.895 89.024 49.884 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 29.439 67.443 -0.215 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 29.334 68.304 -0.620 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 29.812 67.628 0.647 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 71.225 29.329 42.915 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 71.238 30.132 43.436 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 72.046 29.349 42.423 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 65.367 5.032 6.051 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 65.559 4.253 5.528 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 64.654 4.763 6.629 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 28.597 45.755 -13.393 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 29.416 45.714 -13.887 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 28.632 44.999 -12.807 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 50.089 50.536 49.772 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 50.068 51.170 49.056 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 49.856 51.043 50.549 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 61.028 34.668 33.866 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 60.104 34.455 33.991 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 61.048 35.192 33.065 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 45.763 62.728 2.014 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 46.517 62.149 2.127 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 45.311 62.702 2.858 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 57.116 53.148 35.698 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 56.214 53.247 36.004 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 57.490 54.026 35.766 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 72.493 61.299 52.405 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 73.036 61.748 53.054 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 71.666 61.780 52.410 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 61.539 3.640 44.957 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 62.403 3.501 44.570 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 61.701 3.675 45.900 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 39.777 83.362 46.557 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 39.523 82.578 46.071 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 38.999 83.919 46.537 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 72.968 40.816 -15.422 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 73.279 41.365 -14.702 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 73.469 40.004 -15.338 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 41.912 81.553 -2.440 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 42.657 80.974 -2.599 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 42.186 82.099 -1.704 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 51.113 93.409 -10.850 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 50.897 92.478 -10.795 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 50.271 93.856 -10.762 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 59.764 81.654 34.235 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 59.153 81.279 33.601 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 60.033 80.912 34.777 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 42.091 20.947 -18.573 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 41.207 21.183 -18.853 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 41.975 20.146 -18.061 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 76.016 25.414 -9.500 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 75.601 26.212 -9.171 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 75.290 24.889 -9.838 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 45.827 50.880 -5.573 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 45.152 51.084 -4.925 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 46.558 51.455 -5.346 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 51.008 21.344 -16.084 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 51.853 20.939 -15.889 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 51.166 22.284 -15.996 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 73.318 64.730 2.863 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 73.542 65.261 3.628 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 74.016 64.910 2.233 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 72.554 36.349 -16.246 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 73.126 36.839 -16.837 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 72.350 35.544 -16.721 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 34.157 48.130 35.906 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 34.076 47.531 36.648 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 34.834 47.740 35.354 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 21.251 92.125 44.373 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 20.631 91.514 44.773 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 21.614 91.645 43.629 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 20.028 80.593 35.894 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 19.825 80.004 35.167 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 20.868 80.279 36.230 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 68.529 32.987 55.258 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 68.023 33.444 54.586 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 69.217 32.532 54.772 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 29.311 60.449 51.977 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 29.081 60.762 51.102 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 28.490 60.485 52.468 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 42.485 22.373 29.182 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 42.705 23.019 28.510 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 43.318 22.182 29.614 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 49.409 93.264 18.889 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 49.110 94.159 19.050 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 48.655 92.827 18.492 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 88.256 87.529 19.118 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 88.861 87.342 19.835 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 87.742 88.276 19.426 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 58.621 45.641 46.512 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 58.088 46.431 46.427 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 58.399 45.117 45.742 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 42.895 65.801 62.705 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 43.703 65.662 62.210 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 42.662 66.714 62.533 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 25.078 65.165 26.012 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 25.647 64.443 26.279 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 24.985 65.061 25.065 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 57.156 64.983 52.450 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 57.054 65.167 51.516 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 56.344 64.542 52.698 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 30.478 25.780 44.807 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 31.096 25.270 44.284 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 30.885 25.837 45.672 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 22.831 95.321 -12.904 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 22.254 94.692 -13.336 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 23.444 94.781 -12.405 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 89.524 5.655 45.345 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 89.523 6.603 45.476 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 89.392 5.292 46.221 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 64.685 78.455 -13.728 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 63.900 77.908 -13.732 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 64.504 79.140 -14.372 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 77.898 7.221 51.896 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 77.058 7.056 51.468 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 77.928 6.593 52.617 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 38.111 41.310 46.445 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 38.288 42.085 45.912 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 37.240 41.023 46.170 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 41.130 53.750 35.201 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 40.396 53.964 34.626 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 41.851 54.294 34.883 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 64.203 2.691 46.874 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 64.551 2.031 47.475 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 64.134 2.238 46.034 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 85.026 62.334 -10.764 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 84.116 62.594 -10.621 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 85.525 63.145 -10.669 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 38.507 80.895 28.993 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 38.801 81.152 29.867 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 39.285 80.524 28.577 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 73.835 80.391 -2.128 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 74.026 79.626 -1.584 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 72.941 80.249 -2.437 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 42.066 75.685 56.210 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 42.454 75.444 55.369 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 41.724 76.569 56.073 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 73.740 51.458 53.607 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 72.893 51.215 53.232 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 73.565 52.261 54.096 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 25.441 71.773 8.910 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 25.980 71.674 9.695 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 25.931 72.382 8.357 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 39.647 79.320 -2.176 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 40.061 80.026 -2.674 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 40.235 79.173 -1.436 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 46.434 82.179 -1.586 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 47.327 82.524 -1.576 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 46.501 81.353 -2.065 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 22.085 75.547 48.119 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 21.848 76.042 47.335 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 22.971 75.229 47.944 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 73.298 11.460 58.987 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 72.612 11.248 59.621 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 72.855 11.436 58.138 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 86.108 92.140 50.807 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 86.181 92.001 49.863 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 87.008 92.085 51.129 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 88.760 84.631 12.835 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 88.637 85.061 11.989 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 88.292 85.188 13.457 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 64.692 12.351 -18.269 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 64.475 12.997 -18.940 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 64.674 12.842 -17.448 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 70.522 64.605 52.098 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 70.435 64.775 51.160 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 70.953 65.386 52.444 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 50.288 3.109 52.902 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 50.789 3.536 53.597 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 50.351 3.708 52.158 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 77.173 92.525 9.510 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 76.730 92.762 8.695 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 77.864 93.180 9.606 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 68.496 57.953 51.038 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 67.747 57.766 50.473 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 68.469 58.901 51.167 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 70.262 25.597 21.289 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 70.949 24.943 21.156 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 70.274 26.123 20.489 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 65.566 15.167 0.343 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 65.338 14.317 0.720 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 65.780 15.715 1.098 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 84.004 65.905 7.915 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 84.612 65.420 8.473 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 83.431 65.234 7.545 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 58.510 12.867 -16.425 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 58.253 12.098 -16.933 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 57.790 12.999 -15.808 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 60.375 9.156 23.869 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 59.997 9.705 23.182 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 61.294 9.061 23.622 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 24.947 57.892 -6.711 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 24.446 58.706 -6.768 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 25.365 57.808 -7.568 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 78.761 68.429 46.544 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 78.289 69.260 46.597 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 78.951 68.320 45.612 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 20.018 6.439 2.106 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 20.691 7.074 1.861 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 20.369 6.005 2.884 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 79.035 77.085 17.282 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 78.731 76.523 16.569 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 78.295 77.125 17.887 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 54.294 75.287 52.788 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 53.531 75.562 53.297 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 54.041 74.443 52.414 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 77.246 46.687 56.534 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 77.374 45.758 56.343 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 76.755 47.021 55.783 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 20.844 94.213 17.823 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 20.357 95.013 17.624 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 21.682 94.521 18.167 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 57.570 83.864 -14.607 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 56.918 84.270 -15.179 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 57.143 83.819 -13.751 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 40.446 51.226 -15.210 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 41.006 51.077 -15.972 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 40.831 51.986 -14.774 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 62.719 93.224 27.553 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 63.540 92.860 27.884 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 62.570 94.006 28.085 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 83.153 69.619 41.225 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 82.846 68.830 40.778 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 83.235 70.272 40.530 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 70.801 75.124 7.641 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 70.277 75.828 8.022 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 71.619 75.138 8.138 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 39.114 32.629 56.946 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 38.752 33.511 57.031 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 38.393 32.107 56.594 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 71.232 12.632 50.427 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 71.222 12.487 49.481 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 70.348 12.934 50.634 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 83.293 0.459 60.136 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 82.617 0.669 60.780 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 84.072 0.268 60.658 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 42.039 53.057 60.384 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 42.835 53.560 60.556 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 41.335 53.705 60.407 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 84.232 90.015 2.542 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 84.205 89.491 1.742 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 84.194 89.372 3.251 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 73.365 88.715 33.030 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 73.664 88.129 32.334 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 72.480 88.414 33.233 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 37.097 55.925 43.494 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 37.736 55.417 42.994 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 37.614 56.366 44.168 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 69.393 71.544 56.102 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 68.827 72.143 56.590 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 68.886 70.734 56.037 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 90.000 51.357 16.923 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 90.635 50.959 16.327 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 89.216 50.815 16.834 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 81.429 86.774 -18.789 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 82.236 87.217 -18.529 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 81.594 85.849 -18.607 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 39.164 23.900 26.013 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 39.620 23.067 26.131 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 38.763 23.833 25.147 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 41.224 80.202 28.002 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 41.272 79.252 27.893 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 41.832 80.392 28.717 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 81.987 63.985 41.875 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 81.571 63.129 41.976 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 81.658 64.501 42.611 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 67.088 90.145 -9.395 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 66.272 90.040 -9.885 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 67.673 89.480 -9.758 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 85.397 52.227 51.454 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 85.024 52.560 52.270 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 86.309 52.033 51.669 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 64.011 61.006 67.301 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 63.995 61.502 66.482 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 64.939 60.827 67.455 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 26.518 46.368 -3.297 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 25.601 46.370 -3.574 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 26.513 46.809 -2.448 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 68.337 74.453 -15.204 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 69.164 74.225 -14.779 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 68.538 74.448 -16.140 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 29.571 48.356 42.065 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 29.134 47.522 41.894 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 30.501 48.170 41.939 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 47.753 95.913 8.180 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 48.303 96.516 8.681 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 46.966 95.806 8.714 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 24.201 84.673 2.143 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 24.195 85.143 2.977 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 24.727 83.891 2.312 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 48.864 80.089 49.690 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 49.251 79.389 49.163 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 49.340 80.877 49.428 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 62.718 91.852 36.367 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 61.894 91.394 36.531 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 62.453 92.719 36.058 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 85.371 74.657 28.134 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 86.092 75.019 27.619 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 85.633 73.754 28.314 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 38.591 5.354 10.615 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 37.937 4.662 10.513 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 39.349 4.914 10.999 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 55.586 28.212 65.181 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 56.159 27.570 65.600 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 54.768 28.164 65.677 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 58.786 76.538 33.562 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 58.726 76.849 32.658 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 58.520 75.620 33.518 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 38.764 60.333 54.993 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 38.383 61.207 54.913 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 39.013 60.097 54.100 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 59.633 0.931 -9.628 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 59.950 0.494 -8.837 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 59.216 1.731 -9.309 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 29.186 39.997 -13.374 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 28.741 39.540 -14.087 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 29.962 40.381 -13.782 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 34.318 95.950 48.775 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 35.105 96.401 48.471 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 34.207 96.243 49.680 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 60.725 2.238 41.260 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 60.203 1.882 40.541 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 60.083 2.479 41.927 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 79.228 29.009 31.639 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 78.327 29.284 31.808 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 79.390 29.261 30.730 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 55.844 36.401 50.798 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 54.970 36.730 51.009 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 56.436 36.934 51.330 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 80.340 54.801 52.452 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 80.161 54.930 51.521 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 79.624 55.253 52.899 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 75.562 54.929 33.273 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 74.666 55.119 32.995 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 75.669 55.415 34.090 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 88.928 3.411 -18.961 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 89.128 4.216 -19.439 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 89.004 2.718 -19.618 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 45.582 41.924 10.130 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 45.390 41.159 10.673 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 46.332 42.339 10.557 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 76.523 93.593 21.271 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 75.945 93.220 20.606 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 76.847 92.837 21.760 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 58.906 20.366 19.148 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 58.699 20.007 18.285 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 58.067 20.677 19.486 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 56.392 22.717 35.515 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 56.761 22.752 34.633 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 55.567 23.198 35.451 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 67.874 63.429 0.948 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 68.130 64.214 1.431 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 66.936 63.339 1.116 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 79.313 6.462 62.284 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 79.280 6.505 61.328 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 78.575 5.902 62.524 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 86.274 64.067 -8.021 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 85.746 64.440 -8.728 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 87.028 64.652 -7.950 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 58.853 81.066 51.305 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 58.121 81.673 51.197 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 58.506 80.219 51.026 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 58.975 63.931 40.828 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 58.264 63.314 41.000 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 58.598 64.569 40.223 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 46.401 42.398 -9.681 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 47.071 42.916 -10.128 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 46.343 41.590 -10.191 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 40.583 95.047 1.191 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 40.824 94.446 1.896 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 39.714 95.367 1.435 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 42.645 38.397 34.572 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 43.337 39.004 34.835 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 43.065 37.812 33.942 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 90.748 18.371 -18.768 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 91.380 18.476 -19.479 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 90.085 19.041 -18.935 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 63.253 1.902 24.031 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 62.846 1.261 23.448 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 63.001 1.621 24.910 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 89.405 35.144 59.943 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 89.744 34.605 60.657 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 89.880 35.971 60.020 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 65.773 78.075 44.900 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 65.006 78.351 45.403 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 66.242 77.481 45.486 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 59.645 5.962 49.344 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 59.408 6.852 49.603 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 59.506 5.437 50.132 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 63.542 2.387 -3.640 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 64.219 2.492 -4.309 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 63.582 3.196 -3.129 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 64.429 20.890 -4.681 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 63.913 21.553 -4.221 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 64.681 20.267 -4.001 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 76.617 8.749 3.533 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 76.613 8.576 4.474 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 77.541 8.703 3.285 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 61.239 74.679 -20.057 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 60.407 75.088 -19.819 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 61.852 74.976 -19.384 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 36.717 59.731 15.748 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 36.731 58.805 15.990 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 37.498 60.099 16.161 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 81.014 57.039 -5.311 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 80.217 56.975 -5.837 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 81.689 57.316 -5.931 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 81.535 61.326 46.915 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 81.929 61.912 46.268 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 80.655 61.675 47.051 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 24.664 61.220 46.041 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 24.733 61.512 46.950 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 24.353 61.989 45.564 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 41.687 52.088 39.247 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 41.421 52.683 38.545 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 41.750 52.645 40.022 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 43.091 5.949 62.458 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 43.313 5.157 62.948 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 43.786 6.030 61.805 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 46.718 79.597 -2.872 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 46.914 79.731 -3.799 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 46.642 78.648 -2.777 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 33.409 44.529 28.741 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 34.299 44.200 28.865 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 33.149 44.198 27.881 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 26.709 32.914 -18.978 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 26.905 33.751 -18.557 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 26.031 33.122 -19.621 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 40.885 67.592 37.772 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 41.741 67.621 37.345 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 40.945 66.854 38.379 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 72.373 21.688 57.357 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 73.307 21.752 57.553 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 72.154 22.527 56.951 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 29.863 78.472 -5.602 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 30.514 78.780 -4.971 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 30.080 77.551 -5.741 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 49.005 13.342 47.092 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 49.929 13.534 46.931 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 48.638 13.182 46.223 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 32.704 17.570 -10.617 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 32.170 17.971 -9.931 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 32.110 17.482 -11.363 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 37.629 62.798 54.326 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 37.171 63.224 55.051 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 37.993 63.521 53.815 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 73.903 44.408 -6.280 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 73.491 45.105 -5.769 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 73.546 43.599 -5.914 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 23.921 0.429 -16.210 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 24.043 -0.520 -16.252 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 24.466 0.709 -15.474 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 67.161 79.406 42.725 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 67.557 78.844 42.059 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 66.369 78.939 42.993 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 35.130 73.310 48.290 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 35.540 73.130 49.137 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 35.860 73.335 47.671 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 51.201 8.545 27.847 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 50.476 9.151 27.999 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 50.778 7.706 27.665 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 49.608 68.922 -1.882 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 50.388 68.468 -1.561 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 49.472 69.635 -1.259 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 36.982 63.455 19.164 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 37.388 62.932 18.472 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 36.887 64.327 18.781 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 53.001 37.501 3.128 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 53.610 37.552 3.865 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 52.134 37.483 3.534 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 25.916 88.572 36.446 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 25.124 88.237 36.025 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 26.635 88.164 35.963 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 89.467 87.466 40.703 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 88.783 86.871 40.396 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 89.662 88.018 39.946 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 78.025 65.387 11.605 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 77.552 64.593 11.852 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 77.491 66.102 11.952 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 24.722 22.847 17.773 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 24.430 23.656 17.352 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 24.290 22.852 18.628 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 56.328 75.082 -11.059 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 57.040 74.519 -11.362 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 55.926 75.413 -11.863 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 37.418 27.534 60.577 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 37.027 26.785 60.129 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 37.733 27.179 61.408 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 56.225 88.494 -11.363 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 56.966 87.990 -11.700 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 56.334 88.474 -10.413 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 61.875 3.578 4.544 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 62.602 2.961 4.633 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 61.091 3.028 4.558 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 28.392 94.036 27.499 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 27.489 93.750 27.633 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 28.753 94.115 28.381 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 87.755 58.241 14.596 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 87.304 57.615 14.030 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 88.645 58.283 14.246 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 22.485 53.269 -10.627 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 23.316 53.671 -10.878 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 22.680 52.801 -9.815 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 30.237 70.375 57.038 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 29.612 70.389 57.763 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 30.511 71.287 56.940 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 88.196 79.005 15.709 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 87.518 79.516 16.151 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 88.679 78.581 16.419 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 22.869 61.378 16.983 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 22.032 61.835 16.896 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 22.737 60.773 17.713 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 20.654 59.444 13.192 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 20.310 59.392 14.084 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 21.244 58.694 13.117 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 85.106 81.206 30.097 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 84.512 81.333 30.836 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 85.555 80.382 30.289 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 20.959 60.552 50.346 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 20.653 60.483 51.250 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 20.338 61.148 49.927 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 83.977 91.647 11.309 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 83.546 91.701 10.456 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 83.280 91.825 11.941 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 27.517 12.305 60.850 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 27.847 12.503 61.726 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 26.832 11.652 60.993 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 27.619 68.221 67.708 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 27.351 68.882 67.069 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 27.364 67.387 67.313 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 67.867 87.330 40.551 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 68.800 87.128 40.481 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 67.562 86.804 41.291 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 63.989 84.936 59.518 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 63.688 85.383 60.308 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 64.544 85.578 59.076 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 56.955 24.769 61.101 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 56.580 25.650 61.112 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 57.528 24.743 61.867 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 73.516 94.498 28.137 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 73.566 93.636 28.549 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 72.659 94.512 27.712 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 59.252 8.787 49.714 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 58.802 9.625 49.607 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 60.037 8.998 50.218 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 21.005 70.613 -4.156 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 20.808 69.796 -4.613 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 21.923 70.529 -3.900 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 79.092 84.158 58.395 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 78.556 83.572 57.862 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 79.795 83.601 58.731 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 71.037 68.900 62.504 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 70.347 69.540 62.330 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 71.604 68.941 61.734 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 89.364 41.272 -19.198 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 89.988 41.223 -18.474 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 88.693 41.885 -18.896 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 54.215 56.907 -2.030 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 54.282 56.379 -1.234 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 54.892 57.576 -1.932 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 65.157 4.212 10.589 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 65.251 5.003 10.059 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 64.847 3.547 9.975 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 40.285 31.135 3.042 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 40.266 30.979 2.098 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 39.786 30.409 3.416 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 76.070 82.185 12.903 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 76.524 82.834 12.367 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 75.147 82.283 12.669 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 90.579 26.867 30.034 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 90.701 27.789 30.259 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 90.673 26.837 29.082 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 59.892 88.791 35.615 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 59.409 88.212 35.026 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 60.192 88.218 36.322 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 26.876 16.082 61.471 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 26.866 15.420 60.779 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 25.954 16.297 61.610 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 72.212 70.424 32.476 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 72.200 71.275 32.913 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 71.328 70.079 32.597 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 86.043 14.425 -4.009 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 85.405 13.989 -3.444 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 86.711 14.753 -3.407 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 52.942 27.190 -9.799 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 53.566 27.914 -9.745 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 53.487 26.405 -9.829 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 26.863 49.263 54.506 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 25.946 48.988 54.505 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 26.828 50.218 54.454 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 68.600 52.754 67.161 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 68.685 53.646 67.496 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 69.182 52.727 66.401 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 28.855 94.722 61.708 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 28.437 95.288 61.059 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 28.578 95.079 62.552 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 63.642 88.805 57.369 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 64.051 88.504 56.558 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 62.710 88.865 57.160 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 32.658 35.907 -18.675 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 32.590 35.049 -18.256 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 32.974 36.488 -17.983 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 34.197 72.691 67.221 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 33.467 72.154 67.529 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 34.014 72.835 66.293 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 43.087 66.932 -7.055 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 43.427 67.365 -6.271 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 42.410 67.524 -7.382 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 70.500 82.306 16.780 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 70.457 82.017 17.691 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 70.458 81.498 16.269 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 60.661 94.363 53.946 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 60.910 93.791 53.219 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 61.228 95.129 53.854 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 67.492 88.376 -13.357 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 66.735 88.325 -12.774 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 67.229 87.885 -14.136 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 51.663 55.911 67.066 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 51.980 55.008 67.108 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 50.866 55.861 66.540 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 54.432 0.543 53.721 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 53.766 0.315 54.369 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 53.936 0.767 52.934 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 62.703 4.288 65.629 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 62.760 5.130 65.177 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 62.859 3.637 64.945 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 47.716 26.679 37.378 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 47.142 25.933 37.550 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 47.123 27.381 37.109 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 64.511 76.436 48.398 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 63.938 76.985 47.862 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 64.522 75.590 47.949 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 61.630 89.372 3.414 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 61.924 89.910 4.149 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 61.414 90.003 2.726 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 28.577 49.516 48.726 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 28.799 50.359 49.120 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 28.411 49.718 47.805 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 35.279 28.426 13.463 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 35.559 28.476 14.377 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 34.607 29.102 13.380 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 31.890 55.142 47.256 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 32.029 55.727 48.001 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 32.470 54.400 47.422 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 25.061 34.322 -16.271 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 25.467 33.506 -15.979 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 24.859 34.792 -15.461 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 49.229 16.075 63.927 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 49.770 16.068 63.138 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 48.574 15.394 63.776 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 29.869 16.885 19.322 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 30.451 17.358 18.727 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 29.946 15.969 19.054 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 43.880 64.783 65.082 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 43.870 65.098 65.986 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 43.949 65.577 64.552 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 62.957 6.432 53.011 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 63.112 6.422 53.955 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 63.247 7.299 52.729 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 64.480 46.616 12.771 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 64.286 45.715 13.030 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 63.773 47.134 13.156 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 47.388 90.617 66.563 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 47.663 89.893 66.001 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 47.449 91.391 66.004 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 85.067 52.163 57.099 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 84.534 51.370 57.167 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 84.888 52.642 57.908 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 38.607 87.691 -10.345 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 39.471 87.481 -9.988 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 38.285 88.402 -9.792 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 42.886 45.333 66.108 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 43.064 45.975 65.420 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 43.140 45.773 66.919 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 64.100 73.742 35.271 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 64.008 72.854 35.617 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 63.217 73.981 34.988 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 67.484 83.340 0.118 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 67.169 82.824 -0.624 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 68.381 83.035 0.259 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 62.552 94.592 66.836 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 61.668 94.265 66.666 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 62.955 94.654 65.970 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 86.393 86.046 29.057 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 86.413 85.616 29.912 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 85.589 85.728 28.647 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 74.616 60.164 66.952 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 75.455 60.531 67.229 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 74.850 59.467 66.338 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 66.541 60.770 47.564 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 66.720 59.875 47.853 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 65.591 60.860 47.636 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 59.528 9.824 -4.185 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 59.537 9.700 -5.134 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 60.355 9.446 -3.886 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 52.082 96.142 51.117 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 51.801 95.624 50.363 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 52.688 95.570 51.588 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 83.513 74.443 62.555 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 84.221 74.799 62.018 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 83.954 73.874 63.186 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 43.030 20.416 59.823 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 42.830 19.588 59.387 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 43.940 20.597 59.589 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 63.961 57.124 47.585 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 63.021 57.147 47.404 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 64.035 56.634 48.404 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 33.646 63.761 24.458 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 34.584 63.811 24.277 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 33.577 63.164 25.203 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 45.666 86.316 30.650 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 45.323 86.896 29.970 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 46.571 86.146 30.387 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 66.441 4.980 -18.444 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 66.633 5.753 -17.913 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 65.485 4.927 -18.452 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 67.120 5.667 -12.461 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 66.292 5.491 -12.015 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 66.893 6.295 -13.148 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 82.968 49.567 31.875 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 82.444 49.960 31.177 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 83.366 50.313 32.325 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 38.553 74.956 6.159 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 38.185 74.102 6.388 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 39.113 75.182 6.902 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 83.500 75.553 0.170 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 83.241 75.366 -0.732 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 82.889 76.231 0.459 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 78.020 0.468 11.903 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 77.710 -0.385 12.208 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 78.920 0.308 11.619 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 69.818 30.528 -1.930 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 69.031 31.071 -1.957 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 69.490 29.629 -1.934 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 52.090 46.081 -9.539 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 51.604 46.733 -9.035 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 52.099 46.425 -10.432 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 56.557 91.966 46.113 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 56.162 92.826 46.258 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 57.298 92.137 45.533 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 35.729 12.071 -6.743 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 36.684 12.108 -6.797 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 35.459 11.645 -7.556 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 35.036 87.932 45.609 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 35.055 87.917 46.566 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 34.333 87.328 45.373 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 69.707 18.661 4.176 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 70.496 18.272 4.552 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 69.934 19.580 4.038 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 38.441 17.699 67.208 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 38.149 16.826 66.944 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 39.052 17.540 67.927 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 44.821 2.173 4.284 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 44.459 2.382 5.145 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 44.190 2.538 3.663 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 61.152 88.144 43.427 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 60.999 87.485 44.104 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 62.077 88.045 43.200 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 51.767 84.200 65.673 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 51.005 84.622 66.069 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 52.518 84.626 66.086 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 77.653 91.855 45.390 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 76.707 91.717 45.351 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 77.788 92.709 44.979 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 63.662 50.752 -7.621 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 63.425 49.958 -7.140 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 63.941 51.368 -6.943 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 86.721 95.999 66.204 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 86.762 95.242 65.620 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 85.838 96.349 66.081 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 34.071 11.507 31.212 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 34.542 10.785 31.629 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 33.510 11.858 31.903 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 42.071 27.835 40.207 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 42.782 28.323 39.791 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 41.294 28.377 40.068 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 25.661 76.481 49.225 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 25.210 75.640 49.308 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 25.706 76.638 48.282 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 72.136 88.895 13.905 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 72.132 88.040 14.335 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 71.806 89.499 14.571 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 39.666 89.592 10.797 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 38.892 89.514 10.240 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 40.308 89.004 10.399 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 67.208 28.580 -2.020 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 66.920 28.516 -1.110 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 66.403 28.495 -2.532 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 41.543 89.340 -15.806 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 42.400 89.168 -15.416 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 41.712 89.383 -16.747 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 86.685 89.498 20.990 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 87.204 89.528 21.794 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 85.827 89.837 21.246 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 80.037 56.108 38.581 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 80.375 55.874 37.716 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 80.479 55.508 39.182 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 60.632 76.078 2.478 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 61.274 75.431 2.189 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 60.094 75.613 3.119 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 75.024 65.760 45.729 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 75.268 65.426 44.866 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 74.977 64.981 46.284 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 34.695 58.178 61.793 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 35.078 57.307 61.892 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 34.762 58.365 60.857 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 77.614 89.404 66.697 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 77.580 90.351 66.559 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 76.962 89.050 66.092 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 26.384 0.375 19.991 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 25.439 0.434 19.853 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 26.593 -0.546 19.836 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 42.935 61.546 -8.554 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 42.525 62.324 -8.178 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 43.089 60.970 -7.805 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 30.655 68.465 65.346 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 30.780 67.524 65.467 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 29.855 68.537 64.825 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 59.081 75.730 -13.559 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 59.613 75.069 -13.115 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 59.309 76.552 -13.124 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 77.832 83.611 -1.095 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 77.274 82.841 -0.984 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 77.824 83.779 -2.037 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 63.877 5.511 -18.226 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 63.180 6.151 -18.085 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 63.496 4.677 -17.952 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 51.128 2.160 48.170 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 50.996 3.050 48.498 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 50.412 2.025 47.549 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 81.184 65.067 44.224 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 80.298 65.430 44.212 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 81.678 65.658 44.793 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 27.266 53.093 -4.630 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 27.658 52.220 -4.662 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 28.013 53.692 -4.657 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 42.548 69.573 -19.450 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 42.611 69.183 -18.578 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 43.309 70.150 -19.510 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 43.245 4.842 33.980 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 43.304 5.667 34.463 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 43.628 4.192 34.569 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 76.721 50.726 40.221 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 75.774 50.697 40.084 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 77.031 51.397 39.612 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 21.074 58.542 66.304 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 20.702 59.004 67.055 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 21.912 58.977 66.146 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 56.189 70.991 49.536 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 55.972 71.474 48.738 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 57.119 71.165 49.677 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 62.676 49.321 33.243 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 62.703 49.356 32.287 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 61.761 49.131 33.450 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 83.461 7.736 -10.869 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 82.624 7.931 -11.290 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 84.088 7.693 -11.590 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 59.496 83.824 9.227 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 58.644 84.056 9.595 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 59.836 83.150 9.815 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 42.790 60.150 52.546 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 42.924 59.672 51.727 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 43.395 60.890 52.493 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 82.693 57.666 -19.756 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 82.500 56.862 -19.274 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 83.480 58.013 -19.338 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 31.796 84.567 -16.374 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 31.114 84.963 -16.916 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 32.586 84.609 -16.912 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 37.587 64.675 7.656 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 37.814 63.771 7.436 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 38.419 65.077 7.905 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 42.076 28.997 58.207 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 41.415 29.685 58.140 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 42.362 28.850 57.305 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 49.986 3.663 -12.620 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 50.701 3.229 -13.085 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 49.464 4.072 -13.310 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 90.242 72.992 -13.729 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 89.808 73.712 -13.272 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 90.791 72.581 -13.062 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 70.516 2.879 66.799 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 69.843 3.184 67.407 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 70.027 2.538 66.050 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 29.750 11.431 59.449 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 28.974 11.750 59.909 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 30.487 11.790 59.943 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 45.680 1.169 27.203 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 44.834 1.615 27.251 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 45.500 0.364 26.717 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 22.220 32.573 31.603 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 21.567 32.909 30.988 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 21.747 31.923 32.123 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 71.497 8.907 46.010 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 72.407 9.197 46.072 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 71.542 8.074 45.540 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 59.868 8.216 -9.311 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 60.667 8.332 -9.825 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 59.335 7.614 -9.831 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 61.893 28.296 8.392 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 61.691 27.414 8.079 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 62.085 28.182 9.323 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 47.650 80.439 60.870 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 47.189 79.928 60.204 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 48.419 79.912 61.087 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 76.111 92.350 53.624 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 76.799 92.858 54.054 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 76.317 91.439 53.836 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 70.736 64.173 62.272 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 71.003 64.097 61.356 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 70.466 63.288 62.517 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 59.373 73.078 65.149 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 59.285 72.641 64.302 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 60.315 73.092 65.316 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 29.261 34.386 40.132 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 30.173 34.321 40.415 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 29.311 34.467 39.179 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 79.190 59.679 27.905 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 78.520 59.879 27.251 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 79.037 58.762 28.132 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 73.730 31.361 1.061 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 72.993 31.289 1.667 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 74.299 30.625 1.286 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 54.836 67.437 57.574 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 54.858 66.516 57.834 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 55.746 67.652 57.372 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 55.434 80.582 60.291 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 55.636 80.806 59.382 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 55.206 79.653 60.264 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 25.414 1.087 45.046 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 25.672 0.190 45.258 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 24.807 1.333 45.744 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 53.853 4.034 46.228 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 54.721 4.076 45.826 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 53.879 4.691 46.923 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 80.490 70.654 16.259 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 79.568 70.395 16.251 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 80.940 69.956 15.783 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 20.835 64.669 34.133 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 21.728 64.700 34.478 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 20.844 63.942 33.511 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 66.863 79.486 35.822 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 67.760 79.767 35.644 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 66.503 79.272 34.961 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 51.730 74.535 -5.168 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 51.328 75.100 -4.508 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 51.810 73.684 -4.739 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 40.905 91.444 -12.525 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 41.308 90.745 -12.009 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 41.486 92.195 -12.407 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 29.372 97.121 21.683 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 29.969 96.791 21.012 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 29.204 96.367 22.248 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 46.811 24.484 -17.150 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 47.377 24.669 -16.401 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 45.924 24.637 -16.824 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 54.879 92.438 0.613 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 54.350 92.089 1.331 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 55.658 91.882 0.598 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 81.640 85.001 14.762 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 80.817 85.017 15.250 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 82.130 84.271 15.141 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 58.682 11.532 59.352 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 58.746 11.875 58.461 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 59.274 10.780 59.363 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 82.624 74.907 49.144 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 82.285 75.779 48.938 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 82.190 74.327 48.519 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 75.484 84.869 0.899 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 75.440 84.119 0.306 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 76.421 85.002 1.048 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 43.993 2.107 45.074 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 43.611 1.474 44.466 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 43.776 1.768 45.942 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 48.166 72.096 -11.289 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 48.664 71.396 -10.865 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 47.644 71.649 -11.955 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 36.112 40.198 25.299 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 36.138 39.243 25.360 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 36.092 40.377 24.359 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 45.274 60.375 4.482 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 45.382 59.485 4.815 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 45.940 60.886 4.942 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 47.714 17.954 34.943 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 48.595 17.787 34.606 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 47.288 18.467 34.256 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 21.376 17.507 56.250 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 21.596 17.200 55.370 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 20.633 18.096 56.120 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 81.226 55.862 -13.379 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 81.200 56.746 -13.012 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 81.132 55.285 -12.621 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 60.417 71.274 -11.439 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 60.346 70.639 -12.151 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 59.843 70.933 -10.754 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 61.786 11.127 33.094 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 60.974 10.996 32.604 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 61.784 12.059 33.315 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 29.148 83.010 35.027 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 29.227 82.365 34.324 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 30.049 83.179 35.301 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 61.183 75.985 44.167 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 62.051 75.622 43.989 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 61.110 76.733 43.574 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 29.761 64.891 43.697 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 30.412 64.663 44.360 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 30.240 65.427 43.064 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 62.480 79.878 54.090 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 62.409 80.372 53.274 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 61.582 79.608 54.286 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 85.561 82.317 -9.347 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 84.896 83.005 -9.310 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 85.526 81.904 -8.485 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 55.477 81.072 14.296 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 55.457 81.498 15.153 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 54.677 80.547 14.271 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 70.002 61.056 -9.129 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 70.345 61.363 -9.969 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 69.350 61.712 -8.882 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 33.515 89.250 3.790 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 33.256 88.381 3.486 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 32.729 89.603 4.206 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 55.439 1.290 27.263 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 55.836 1.656 28.054 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 56.126 1.352 26.599 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 88.785 64.617 56.115 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 88.460 64.209 56.918 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 89.692 64.316 56.044 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 48.190 68.611 -4.629 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 48.035 68.172 -3.792 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 47.954 69.524 -4.468 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 61.736 79.343 48.219 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 61.415 80.237 48.340 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 61.623 78.930 49.075 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 59.316 20.547 28.306 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 58.546 21.061 28.064 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 59.676 20.246 27.472 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 29.311 76.247 35.338 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 29.360 75.964 34.425 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 30.221 76.395 35.593 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 76.592 60.958 -7.294 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 76.395 61.079 -6.365 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 75.743 61.031 -7.731 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 82.262 11.535 50.603 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 81.708 11.196 49.900 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 82.109 10.940 51.337 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 43.294 11.990 11.680 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 43.921 12.149 12.385 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 43.634 11.219 11.226 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 76.679 71.277 -2.882 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 76.126 71.009 -2.148 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 76.090 71.280 -3.637 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 38.400 5.444 54.216 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 38.770 5.453 53.334 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 38.729 4.634 54.606 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 85.867 37.028 57.047 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 85.437 37.316 56.242 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 85.518 36.151 57.205 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 90.523 67.718 66.378 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 89.629 67.379 66.422 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 90.641 67.966 65.461 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 24.405 83.619 -19.276 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 24.028 82.786 -19.559 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 25.106 83.373 -18.674 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 87.759 92.454 60.999 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 88.123 91.897 60.311 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 88.368 92.360 61.732 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 69.871 47.526 -3.978 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 69.353 47.239 -3.226 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 69.249 47.996 -4.533 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 68.911 80.018 6.717 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 68.750 80.929 6.961 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 68.280 79.516 7.233 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 65.057 9.381 50.316 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 65.018 9.839 49.477 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 65.151 8.457 50.082 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 57.128 7.103 35.026 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 57.482 7.966 35.241 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 56.920 7.154 34.093 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 60.288 81.044 65.769 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 59.990 81.933 65.577 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 60.412 80.641 64.910 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 58.180 62.177 35.541 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 57.727 61.462 35.989 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 58.351 61.839 34.662 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 30.072 74.439 21.177 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 30.058 73.529 21.476 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 30.036 74.956 21.981 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 69.752 56.892 -19.701 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 69.626 56.110 -20.239 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 69.658 56.581 -18.801 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 28.113 91.024 50.783 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 28.254 90.164 51.178 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 28.952 91.242 50.376 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 72.587 38.064 43.283 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 73.486 38.107 42.956 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 72.233 38.939 43.125 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 62.664 68.515 -14.089 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 63.299 69.181 -14.350 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 61.843 68.792 -14.496 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 61.889 30.256 44.749 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 61.163 30.807 44.459 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 61.827 30.261 45.704 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 25.763 38.425 55.343 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 25.630 39.373 55.369 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 26.021 38.195 56.235 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 60.632 16.807 32.407 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 61.126 17.530 32.020 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 60.860 16.048 31.871 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 65.257 71.576 40.763 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 65.476 70.660 40.936 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 66.103 72.021 40.724 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 79.799 83.435 61.575 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 80.457 83.633 60.909 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 80.033 82.563 61.892 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 23.997 41.574 39.840 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 23.762 41.599 38.912 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 23.530 42.314 40.226 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 24.004 68.535 47.277 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 23.736 69.097 46.550 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 24.725 68.013 46.924 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 31.552 87.212 16.234 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 32.184 87.267 16.951 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 32.076 87.330 15.442 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 68.687 29.517 6.135 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 68.244 30.305 6.450 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 69.569 29.811 5.909 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 44.421 93.065 32.411 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 43.823 92.317 32.425 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 43.983 93.712 31.858 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 73.826 89.628 42.166 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 74.470 89.264 41.559 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 73.573 88.890 42.720 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 79.894 91.186 59.493 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 80.423 90.644 60.077 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 80.511 91.501 58.833 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 81.513 83.392 26.756 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 80.850 82.738 26.535 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 81.838 83.123 27.615 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 47.148 95.523 53.389 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 47.668 95.239 52.637 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 46.709 94.728 53.691 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 39.426 30.926 46.869 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 39.898 30.412 47.524 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 40.038 31.620 46.623 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 29.829 71.739 48.027 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 30.778 71.843 47.964 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 29.698 71.194 48.803 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 77.241 1.372 -11.439 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 77.931 1.809 -11.938 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 76.557 1.191 -12.084 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 72.613 20.942 48.063 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 72.367 20.034 47.887 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 72.143 21.165 48.867 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 23.957 69.870 65.535 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 23.907 70.186 66.437 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 24.895 69.829 65.347 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 75.006 75.556 -12.187 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 74.264 75.506 -11.584 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 75.090 74.669 -12.537 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 86.051 90.123 66.601 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 85.855 89.812 65.717 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 86.999 90.024 66.685 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 60.947 33.986 48.807 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 60.733 34.252 47.913 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 61.221 34.795 49.240 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 90.370 25.294 -9.881 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 90.986 25.974 -9.609 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 89.534 25.752 -9.976 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 56.625 90.316 42.610 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 57.358 90.932 42.633 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 56.866 89.682 41.934 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 37.165 7.959 49.970 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 37.360 8.045 50.903 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 36.982 7.027 49.848 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 46.649 87.129 -5.492 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 45.784 86.956 -5.122 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 46.860 88.017 -5.205 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 24.001 68.040 37.555 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 23.159 68.421 37.303 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 24.601 68.785 37.589 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 61.791 31.844 64.253 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 62.530 31.289 64.005 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 62.092 32.736 64.083 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 31.272 89.365 53.928 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 32.034 88.832 54.153 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 31.634 90.109 53.447 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 89.396 94.098 44.449 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 90.151 93.565 44.201 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 89.247 94.669 43.695 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 71.596 45.332 9.062 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 71.870 45.985 9.707 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 70.646 45.439 9.001 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 87.515 95.396 -11.195 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 87.853 95.080 -12.033 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 87.567 96.350 -11.259 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 47.034 79.247 46.917 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 46.832 78.783 46.105 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 46.197 79.617 47.197 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 85.191 76.683 25.049 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 84.785 76.428 24.221 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 84.723 77.475 25.313 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 40.846 23.319 -10.511 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 40.931 22.955 -11.392 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 41.452 24.060 -10.498 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 69.500 71.937 -17.028 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 69.542 71.546 -16.155 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 70.322 71.679 -17.447 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 73.166 74.701 58.249 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 73.291 74.671 57.301 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 73.567 75.528 58.518 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 67.866 5.841 66.546 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 67.268 5.997 67.278 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 67.298 5.568 65.826 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 66.854 42.683 -18.401 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 66.573 41.865 -18.812 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 66.669 43.356 -19.056 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 28.463 86.570 30.677 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 29.347 86.238 30.832 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 28.595 87.418 30.254 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 25.453 81.796 53.884 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 26.191 81.605 53.306 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 24.919 82.422 53.394 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 41.539 10.340 55.955 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 42.221 9.703 56.167 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 40.718 9.877 56.124 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 62.784 73.954 -14.731 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 62.771 73.466 -13.908 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 63.480 73.542 -15.243 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 49.457 79.966 -1.279 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 48.561 79.634 -1.211 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 49.813 79.878 -0.395 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 59.408 79.653 4.930 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 59.457 78.758 5.267 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 59.202 80.187 5.697 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 31.102 57.822 13.754 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 31.941 57.440 13.497 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 31.282 58.260 14.586 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 48.972 6.169 24.908 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 48.913 6.863 24.251 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 49.465 5.471 24.477 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 74.868 25.460 -0.107 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 74.725 26.211 -0.682 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 75.779 25.209 -0.261 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 32.332 59.723 -0.429 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 31.577 59.557 -0.994 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 32.317 59.008 0.208 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 27.419 23.264 18.143 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 26.666 22.675 18.182 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 27.696 23.240 17.227 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 49.784 31.250 63.383 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 48.890 31.049 63.659 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 50.137 31.793 64.088 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 56.128 58.366 -5.714 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 56.568 57.538 -5.521 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 55.996 58.773 -4.858 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 37.448 82.555 62.200 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 36.507 82.475 62.356 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 37.624 81.948 61.480 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 37.073 93.179 10.986 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 37.590 93.758 10.427 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 36.500 92.709 10.381 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 58.493 3.220 19.678 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 59.418 3.360 19.476 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 58.049 3.981 19.305 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 22.578 71.694 63.431 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 22.232 71.689 64.324 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 22.636 72.622 63.203 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 36.553 41.086 28.337 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 37.327 40.732 28.775 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 36.431 40.523 27.572 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 57.340 93.513 49.868 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 57.996 93.138 49.281 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 57.041 94.304 49.420 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 28.176 74.287 50.096 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 27.818 74.822 50.805 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 27.968 74.774 49.299 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 28.029 91.442 -10.751 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 27.594 92.260 -10.992 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 28.705 91.705 -10.126 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 38.469 48.723 28.648 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 38.751 47.835 28.866 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 38.568 48.781 27.698 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 77.236 73.433 -9.773 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 77.097 73.024 -10.628 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 77.493 74.332 -9.976 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 34.332 82.750 33.961 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 34.817 81.992 33.637 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 33.901 82.438 34.757 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 89.391 84.265 40.313 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 88.829 84.829 39.782 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 90.216 84.746 40.385 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 55.769 81.580 17.263 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 55.642 81.697 18.204 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 56.170 80.714 17.181 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 37.084 11.007 50.142 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 37.386 10.218 50.592 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 37.799 11.233 49.547 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 40.062 57.032 42.670 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 40.518 57.770 43.072 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 40.718 56.621 42.107 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 30.873 4.339 53.954 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 31.803 4.534 53.841 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 30.484 4.522 53.098 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 90.439 50.394 36.009 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 89.742 51.038 35.889 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 90.077 49.579 35.660 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 51.089 61.266 64.592 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 50.576 61.830 64.013 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 50.570 60.466 64.670 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 28.305 85.470 51.746 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 28.086 85.870 50.904 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 28.043 84.555 51.652 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 52.182 59.499 1.775 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 52.272 59.141 2.658 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 53.082 59.617 1.471 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 34.238 45.030 32.921 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 34.965 45.648 32.841 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 34.602 44.193 32.634 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 55.590 89.812 8.448 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 55.891 89.727 7.543 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 54.635 89.791 8.386 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 84.889 1.963 -5.727 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 84.281 2.320 -6.373 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 84.640 2.385 -4.904 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 46.217 41.592 28.154 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 47.012 41.111 28.386 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 45.674 40.951 27.695 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 53.104 70.429 32.727 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 52.836 71.207 33.216 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 53.929 70.162 33.133 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 55.582 1.655 3.360 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 55.961 0.796 3.546 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 56.010 2.245 3.980 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 21.082 93.829 22.808 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 21.458 94.523 22.266 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 20.176 94.101 22.950 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 76.174 87.807 56.127 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 76.145 87.549 57.049 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 76.643 87.094 55.693 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 85.771 95.732 61.313 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 86.514 95.619 61.906 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 85.077 95.193 61.692 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 73.819 59.718 55.811 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 73.296 59.034 56.227 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 73.328 60.525 55.968 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 55.807 77.922 34.655 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 55.674 77.037 34.993 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 55.227 77.978 33.895 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 34.695 40.247 56.801 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 34.156 39.562 56.402 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 35.552 40.148 56.387 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 78.596 76.768 28.398 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 78.498 76.576 29.331 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 79.129 76.047 28.060 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 43.879 89.586 6.138 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 43.226 88.907 5.967 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 44.336 89.286 6.924 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 62.055 43.490 -4.014 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 61.705 44.380 -4.064 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 62.160 43.325 -3.077 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 54.229 42.822 65.317 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 54.295 43.130 66.221 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 53.309 42.581 65.212 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 69.834 29.432 30.125 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 70.025 28.507 29.968 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 68.909 29.528 29.896 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 25.995 51.107 60.991 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 25.864 50.729 61.860 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 26.925 51.335 60.966 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 25.566 59.891 -3.947 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 26.063 60.468 -3.367 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 26.016 59.048 -3.891 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 58.374 28.541 57.179 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 59.118 28.355 57.753 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 58.402 29.489 57.050 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 31.963 86.902 -12.306 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 31.586 86.471 -13.072 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 32.892 86.676 -12.336 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 68.074 51.048 64.590 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 67.320 51.022 65.178 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 68.180 51.975 64.376 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 69.938 87.378 63.480 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 69.684 87.412 64.402 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 70.889 87.491 63.488 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 28.538 68.707 38.734 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 27.789 68.580 38.152 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 29.273 68.307 38.270 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 55.461 75.065 48.008 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 54.869 74.913 48.744 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 55.542 74.210 47.584 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 46.431 31.676 48.487 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 46.141 30.936 49.020 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 47.346 31.481 48.282 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 22.892 70.754 55.532 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 22.263 70.735 56.253 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 22.403 71.123 54.796 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 82.389 50.223 0.618 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 81.862 50.867 0.146 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 83.294 50.493 0.463 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 85.549 90.124 63.587 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 85.415 89.332 63.066 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 84.673 90.363 63.890 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 42.896 44.992 60.236 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 42.605 45.695 59.656 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 43.664 45.351 60.681 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 79.085 93.649 -12.163 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 78.918 93.834 -13.088 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 80.014 93.423 -12.128 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 32.812 94.126 47.031 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 32.938 93.896 46.111 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 33.333 94.920 47.153 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 42.067 10.776 -12.684 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 41.158 10.733 -12.980 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 42.170 11.669 -12.353 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 61.678 77.863 -1.212 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 62.228 77.991 -0.440 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 60.913 77.388 -0.886 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 57.780 96.519 61.803 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 57.384 95.700 62.101 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 58.702 96.442 62.046 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 21.300 87.733 32.304 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 21.399 87.050 32.967 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 21.829 87.430 31.566 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 20.868 75.576 19.870 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 20.431 76.131 20.516 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 20.334 74.782 19.836 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 48.351 91.617 43.269 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 48.569 90.823 43.756 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 47.477 91.856 43.579 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 42.802 51.778 3.902 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 42.691 51.441 4.791 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 43.726 52.021 3.851 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 58.962 76.004 50.867 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 59.148 75.317 50.227 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 58.419 76.633 50.393 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 90.036 83.984 53.580 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 90.809 84.240 53.077 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 89.307 84.084 52.968 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 74.733 54.550 23.933 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 74.970 53.630 23.811 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 73.890 54.642 23.489 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 71.357 69.588 51.746 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 71.516 70.414 52.205 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 71.570 69.777 50.832 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 67.602 8.964 53.540 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 67.021 9.712 53.677 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 68.430 9.226 53.941 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 52.916 83.294 19.225 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 52.191 83.205 19.844 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 52.677 82.726 18.492 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 56.468 25.139 50.926 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 56.962 25.686 50.315 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 55.563 25.192 50.620 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 68.360 73.527 57.825 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 67.500 73.334 57.452 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 68.261 74.392 58.223 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 39.355 96.059 53.768 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 39.056 95.220 53.417 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 40.188 96.222 53.324 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 78.744 70.395 -8.298 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 78.199 70.891 -7.687 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 78.143 70.135 -8.997 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 86.376 72.997 -10.601 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 86.837 72.191 -10.369 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 87.015 73.693 -10.446 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 23.913 36.434 61.784 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 24.216 36.856 60.980 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 24.618 36.583 62.414 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 90.362 77.465 52.930 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 91.185 77.724 53.344 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 90.477 77.690 52.007 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 77.434 72.132 -12.468 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 76.841 72.008 -13.209 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 78.283 72.320 -12.870 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 33.741 10.928 -14.876 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 33.547 11.304 -14.017 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 33.991 11.677 -15.415 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 22.668 73.778 37.890 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 22.823 73.040 37.300 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 22.292 73.382 38.676 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 54.835 91.961 40.566 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 55.689 91.689 40.903 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 55.019 92.749 40.055 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 34.358 9.722 7.426 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 34.289 10.420 8.077 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 35.216 9.329 7.586 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 21.042 57.472 -6.904 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 20.790 57.926 -6.100 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 21.334 58.170 -7.492 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 63.395 18.150 -11.694 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 63.375 18.590 -10.844 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 63.781 18.794 -12.289 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 51.264 76.355 60.827 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 50.627 75.685 61.072 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 51.476 76.796 61.650 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 62.064 49.457 46.803 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 62.490 50.149 46.296 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 61.156 49.462 46.501 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 41.614 59.217 0.571 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 40.984 59.850 0.228 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 42.113 59.706 1.226 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 48.388 86.960 45.715 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 48.714 86.072 45.861 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 47.551 86.988 46.180 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 41.037 88.110 31.479 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 40.340 87.458 31.550 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 41.752 87.650 31.040 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 58.268 5.504 32.442 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 59.047 6.034 32.604 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 58.434 4.684 32.909 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 77.293 93.172 41.060 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 77.774 93.635 41.746 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 76.412 93.060 41.419 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 86.926 17.209 -0.966 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 86.240 16.542 -0.956 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 87.356 17.099 -1.815 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 36.169 7.552 63.820 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 36.543 6.917 63.209 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 35.305 7.201 64.033 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 25.336 50.532 48.793 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 24.733 51.218 48.507 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 26.170 50.759 48.383 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 46.085 60.288 0.012 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 46.036 60.990 0.661 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 47.018 60.081 -0.047 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 42.073 28.967 24.067 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 42.244 28.769 23.147 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 41.661 29.831 24.055 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 63.131 26.967 -15.370 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 63.921 27.222 -14.894 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 62.413 27.174 -14.772 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 60.517 33.886 -14.121 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 60.517 33.141 -13.520 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 60.377 34.648 -13.560 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 53.127 63.881 44.454 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 53.201 62.985 44.783 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 53.223 63.796 43.505 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 51.553 90.047 6.345 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 52.023 89.919 7.169 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 50.831 89.419 6.381 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 70.200 77.273 28.584 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 69.592 77.940 28.266 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 69.656 76.497 28.720 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 32.351 71.617 -5.232 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 32.669 71.090 -5.965 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 33.139 71.832 -4.732 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 27.020 5.510 63.521 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 27.334 5.660 62.629 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 26.495 4.712 63.459 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 36.993 50.214 -9.337 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 37.058 50.094 -10.285 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 37.822 50.625 -9.091 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 73.826 76.618 29.192 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 74.616 76.678 29.730 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 73.513 75.724 29.324 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 78.788 69.883 57.256 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 78.369 70.528 56.686 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 79.723 70.082 57.197 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 61.265 69.230 57.004 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 62.083 69.314 57.494 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 61.396 68.462 56.448 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 78.241 79.983 44.389 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 78.154 79.061 44.147 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 78.977 80.301 43.866 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 56.270 46.141 41.112 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 57.115 46.591 41.114 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 55.735 46.637 40.491 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 55.431 94.281 45.047 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 55.636 93.782 44.256 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 55.373 95.189 44.749 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 67.521 78.390 -13.242 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 66.571 78.400 -13.129 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 67.651 78.167 -14.164 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 29.525 69.399 -18.264 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 29.224 70.307 -18.279 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 28.824 68.906 -18.691 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 32.834 70.080 16.057 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 32.395 69.501 16.679 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 33.631 70.357 16.508 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 59.390 62.084 50.939 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 58.471 62.304 51.088 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 59.418 61.128 50.983 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 62.523 52.415 54.877 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 62.308 52.285 53.953 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 63.477 52.359 54.912 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 88.920 11.445 35.658 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 89.001 12.117 34.982 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 89.020 11.920 36.483 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 43.345 77.240 -2.205 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 42.891 76.657 -2.814 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 44.268 77.001 -2.286 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 35.454 58.631 38.244 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 36.069 59.354 38.126 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 34.591 59.028 38.128 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 27.960 61.583 66.850 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 27.421 61.899 67.575 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 27.372 61.585 66.095 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 89.804 23.635 57.040 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 89.654 23.480 57.972 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 90.402 24.381 57.013 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 83.483 41.182 24.135 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 83.242 41.587 23.302 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 82.824 40.501 24.270 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 35.762 44.044 65.277 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 36.023 43.438 64.583 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 35.405 44.801 64.812 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 84.389 82.678 0.387 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 85.067 82.500 -0.265 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 84.094 83.567 0.190 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 81.051 44.951 41.170 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 81.230 45.844 41.463 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 81.223 44.968 40.228 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 26.569 44.370 -15.469 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 26.458 44.771 -14.607 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 25.706 44.439 -15.879 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 89.854 14.526 48.528 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 90.257 13.881 47.948 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 89.075 14.087 48.871 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 49.428 27.805 -8.937 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 50.002 27.064 -9.128 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 49.786 28.526 -9.456 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 59.192 94.949 41.877 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 59.994 94.944 41.354 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 58.589 94.381 41.397 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 66.207 91.677 -2.110 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 65.513 92.053 -1.568 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 65.754 91.067 -2.692 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 68.653 36.377 13.213 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 68.980 36.191 14.093 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 68.194 37.212 13.299 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 53.943 7.357 18.371 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 53.129 7.581 18.821 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 54.634 7.652 18.963 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 62.610 78.740 60.989 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 62.296 78.909 61.877 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 63.382 79.298 60.897 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 58.750 91.849 16.666 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 58.938 91.828 15.728 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 59.512 91.437 17.073 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 76.090 81.625 -1.114 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 75.383 81.121 -1.517 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 76.809 81.000 -1.023 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 78.359 85.765 29.155 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 77.883 86.428 29.655 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 78.471 86.153 28.287 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 62.219 58.941 16.683 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 61.382 59.402 16.737 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 62.023 58.052 16.982 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 34.625 21.216 50.515 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 34.286 20.691 51.240 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 35.048 21.964 50.937 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 48.830 93.505 51.786 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 48.847 92.552 51.691 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 49.507 93.818 51.186 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 25.188 82.722 4.003 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 25.075 81.813 3.725 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 26.088 82.937 3.761 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 34.479 2.865 40.505 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 33.844 2.388 41.038 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 35.259 2.925 41.056 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 33.116 68.618 53.507 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 33.486 68.989 54.308 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 32.187 68.498 53.703 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 67.396 83.922 29.800 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 66.894 83.409 29.167 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 67.267 84.831 29.529 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 42.098 78.673 -11.959 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 42.304 78.480 -11.044 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 41.313 78.156 -12.142 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 37.641 6.422 46.594 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 37.930 6.146 47.463 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 38.332 6.122 46.004 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 75.414 84.492 44.335 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 76.305 84.217 44.551 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 75.394 85.425 44.545 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 68.736 67.421 -6.640 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 68.889 66.971 -7.471 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 68.520 66.721 -6.024 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 25.717 51.587 42.209 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 25.160 51.974 42.885 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 26.461 51.224 42.691 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 49.124 59.441 57.471 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 49.641 59.875 56.792 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 48.397 60.041 57.639 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 89.082 56.480 12.682 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 88.565 56.096 11.974 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 88.850 55.966 13.455 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 70.485 80.714 9.068 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 70.338 81.656 8.988 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 69.608 80.342 9.166 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 33.131 7.599 34.182 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 32.618 7.836 34.955 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 33.216 6.647 34.233 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 26.119 63.487 51.088 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 26.354 64.025 51.844 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 26.956 63.274 50.675 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 28.773 91.758 47.884 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 27.873 92.071 47.973 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 28.818 91.403 46.996 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 38.524 56.046 38.276 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 37.945 56.798 38.150 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 39.391 56.429 38.408 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 72.423 81.155 6.734 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 72.951 81.175 7.532 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 71.585 81.538 6.991 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 84.775 49.223 -3.715 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 84.962 49.576 -2.845 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 83.968 48.721 -3.602 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 84.435 81.958 51.666 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 85.220 82.100 51.138 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 84.178 82.833 51.956 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 74.645 65.055 -19.637 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 75.551 64.749 -19.612 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 74.264 64.616 -20.397 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 67.115 90.499 67.320 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 66.315 90.085 66.996 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 66.892 91.427 67.393 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 37.674 60.921 52.075 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 37.762 61.869 52.178 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 38.568 60.587 52.155 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 74.403 65.729 60.696 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 73.594 65.369 60.333 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 75.101 65.245 60.255 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 78.450 89.070 -12.348 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 79.088 89.714 -12.039 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 78.788 88.787 -13.198 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 85.384 34.384 63.257 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 85.306 33.460 63.019 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 85.819 34.789 62.507 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 76.898 64.759 25.578 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 75.973 64.745 25.824 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 77.323 65.261 26.273 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 51.739 29.806 42.420 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 51.038 30.244 41.937 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 51.808 28.943 42.013 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 40.478 88.915 -5.766 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 40.628 89.757 -5.337 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 39.529 88.794 -5.731 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 88.070 84.330 51.859 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 88.165 84.989 51.171 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 87.901 83.514 51.388 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 72.163 3.747 4.661 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 72.178 4.685 4.471 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 71.601 3.668 5.432 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 47.911 72.656 46.958 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 47.814 72.050 46.224 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 48.241 72.115 47.674 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 40.519 14.251 28.235 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 39.711 14.701 28.479 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 40.815 13.833 29.043 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 51.099 86.132 -8.315 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 51.180 85.387 -7.719 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 51.628 85.889 -9.075 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 64.460 2.024 -17.992 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 63.770 2.439 -18.511 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 64.182 2.143 -17.084 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 85.614 83.756 30.663 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 85.762 82.820 30.526 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 84.662 83.855 30.635 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 90.303 1.515 -0.666 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 91.033 2.108 -0.486 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 90.154 1.059 0.162 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 73.111 28.187 54.446 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 73.622 28.827 53.951 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 72.224 28.264 54.095 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 36.477 68.248 -9.922 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 36.877 68.005 -9.087 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 36.473 67.437 -10.431 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 90.494 71.111 -16.279 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 89.936 71.194 -15.506 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 91.386 71.128 -15.933 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 77.799 57.115 50.697 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 78.453 57.813 50.738 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 76.967 57.555 50.873 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 38.866 89.976 34.543 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 38.681 89.437 33.774 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 39.358 90.722 34.200 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 50.761 64.981 -19.181 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 50.305 64.161 -18.994 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 50.324 65.630 -18.630 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 49.916 44.025 21.941 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 50.649 44.483 21.531 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 49.177 44.177 21.351 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 66.132 8.323 -13.714 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 66.958 8.747 -13.482 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 65.660 8.246 -12.885 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 73.865 75.207 7.957 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 73.992 74.264 7.858 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 74.539 75.600 7.403 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 25.765 35.689 -0.678 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 26.656 35.887 -0.388 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 25.875 35.007 -1.340 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 69.905 52.417 56.153 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 69.589 52.236 55.268 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 69.135 52.741 56.621 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 26.159 78.181 41.737 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 26.852 78.271 42.391 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 26.624 78.061 40.909 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 76.774 73.458 3.752 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 76.734 74.203 4.352 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 76.808 73.853 2.881 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 37.503 32.330 5.078 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 37.854 31.710 5.717 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 36.727 31.896 4.724 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 47.144 61.689 62.131 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 46.351 61.973 62.586 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 47.061 62.057 61.251 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 72.272 76.600 36.605 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 72.361 76.043 35.832 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 73.163 76.687 36.943 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 88.768 85.590 21.508 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 87.845 85.691 21.742 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 89.239 85.719 22.331 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 76.263 4.067 7.216 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 76.815 4.335 7.950 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 76.871 3.670 6.592 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 87.960 51.931 51.810 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 88.274 51.486 51.023 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 88.565 52.662 51.931 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 88.198 67.348 -7.690 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 87.274 67.171 -7.513 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 88.211 68.239 -8.037 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 82.999 65.113 58.364 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 83.187 64.327 57.851 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 83.308 65.836 57.818 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 26.284 9.587 5.404 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 26.851 9.138 4.778 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 25.939 10.337 4.919 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 79.866 2.503 51.621 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 80.416 3.228 51.323 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 79.104 2.927 52.015 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 53.789 87.077 58.442 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 54.435 87.715 58.745 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 54.310 86.360 58.082 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 90.512 89.148 28.958 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 90.682 88.382 28.409 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 89.974 89.721 28.411 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 84.925 73.172 51.891 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 85.305 72.474 51.358 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 84.265 72.733 52.428 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 51.681 76.996 -1.258 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 51.834 76.107 -0.937 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 51.557 77.519 -0.466 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 30.298 4.676 61.515 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 30.502 5.177 62.304 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 30.048 5.337 60.869 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 54.968 91.237 54.300 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 54.099 91.349 53.914 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 55.574 91.494 53.605 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 88.602 14.378 52.078 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 89.555 14.291 52.104 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 88.409 15.082 52.697 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 30.543 94.188 48.548 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 31.375 94.492 48.187 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 30.370 93.364 48.092 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 84.870 0.242 -12.539 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 84.945 -0.491 -13.149 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 85.775 0.459 -12.312 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 84.205 96.142 54.956 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 84.244 96.940 55.484 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 83.777 96.413 54.143 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 85.601 13.914 52.477 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 86.405 14.423 52.581 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 85.858 13.169 51.934 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 49.719 72.155 32.602 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 50.409 72.233 33.260 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 49.378 71.268 32.715 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 57.627 49.384 54.237 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 58.157 50.046 54.680 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 56.741 49.522 54.572 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 47.429 78.498 0.314 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 46.734 77.915 0.007 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 48.167 77.917 0.496 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 58.118 85.675 51.370 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 58.950 85.458 51.791 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 57.887 84.888 50.875 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 26.901 33.678 21.359 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 27.558 33.429 20.709 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 26.945 34.634 21.391 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 57.119 93.023 -9.043 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 57.049 93.881 -8.624 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 56.434 93.026 -9.711 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 74.606 51.477 -16.231 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 75.110 50.971 -16.869 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 74.240 52.203 -16.736 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 66.072 81.044 11.534 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 65.977 80.451 10.789 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 66.590 80.549 12.169 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 44.041 70.783 27.648 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 44.875 70.319 27.577 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 43.765 70.644 28.554 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 26.105 34.847 24.106 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 26.623 35.648 24.184 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 26.498 34.378 23.369 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 32.006 39.185 61.262 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 32.393 39.553 60.468 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 32.599 38.476 61.512 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 21.177 0.852 47.160 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 20.652 0.068 46.997 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 21.329 1.224 46.291 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 44.118 53.429 -8.091 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 44.524 52.758 -8.640 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 44.454 54.256 -8.436 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 56.871 8.308 10.420 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 56.065 8.786 10.226 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 56.762 8.010 11.324 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 61.326 13.873 33.557 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 61.399 14.814 33.714 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 60.497 13.625 33.966 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 29.862 14.941 51.769 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 29.230 14.222 51.777 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 29.632 15.455 50.995 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 47.239 62.220 8.877 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 47.898 62.857 9.153 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 47.272 61.536 9.546 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 79.196 95.699 28.932 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 78.417 96.255 28.950 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 79.627 95.863 29.770 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 83.041 4.646 -11.709 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 83.224 3.771 -11.365 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 83.055 5.214 -10.938 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 37.561 85.434 53.171 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 37.158 84.871 52.510 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 37.434 84.964 53.996 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 39.515 38.951 47.153 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 40.052 39.734 47.029 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 38.730 39.114 46.630 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 76.407 30.365 -17.282 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 76.650 31.276 -17.118 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 75.484 30.314 -17.034 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 88.186 86.231 -4.031 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 89.082 86.260 -4.367 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 88.288 86.139 -3.084 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 85.686 88.066 44.036 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 85.331 87.499 43.352 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 86.619 87.855 44.062 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 57.192 6.356 57.688 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 57.583 6.028 56.878 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 57.849 6.178 58.361 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 32.424 71.853 25.178 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 32.468 71.551 24.271 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 31.776 71.281 25.590 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 87.080 63.790 60.503 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 87.729 64.463 60.707 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 87.312 63.053 61.069 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 54.029 31.441 46.492 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 54.410 30.598 46.739 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 53.887 31.373 45.548 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 33.125 3.309 61.484 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 32.526 2.921 60.846 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 33.544 4.030 61.012 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 72.532 48.422 49.699 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 72.092 47.603 49.473 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 72.027 48.772 50.432 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 79.089 50.523 28.509 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 78.346 51.121 28.429 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 78.703 49.650 28.432 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 79.512 7.763 -8.923 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 80.102 7.722 -9.676 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 79.933 8.377 -8.322 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 64.573 72.940 59.792 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 65.483 73.134 60.018 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 64.454 73.324 58.923 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 77.586 60.497 -10.305 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 76.691 60.768 -10.512 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 78.135 61.206 -10.639 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 34.163 66.377 13.282 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 33.841 67.074 12.711 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 34.823 65.923 12.757 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 48.099 19.810 63.884 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 47.244 19.417 63.709 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 48.462 19.991 63.016 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 76.468 70.743 12.474 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 75.645 71.118 12.160 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 76.588 69.952 11.948 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 56.728 48.686 2.898 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 57.675 48.699 2.759 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 56.475 49.609 2.911 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 71.990 58.546 57.391 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 71.516 58.095 56.693 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 71.367 59.192 57.725 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 77.078 17.286 -18.115 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 76.329 16.691 -18.132 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 77.606 16.988 -17.375 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 48.405 65.125 57.306 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 48.026 64.750 56.511 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 49.218 64.637 57.438 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 66.923 2.796 4.855 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 67.107 2.487 3.968 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 66.779 1.998 5.363 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 58.619 60.250 26.998 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 57.704 60.309 26.724 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 58.838 59.323 26.906 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 32.477 95.260 52.412 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 33.276 94.735 52.461 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 32.766 96.153 52.600 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 77.223 80.054 -7.484 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 76.503 80.003 -8.113 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 76.795 80.212 -6.642 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 61.374 95.236 57.473 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 61.503 95.767 58.259 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 60.556 95.561 57.095 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 44.661 92.951 45.451 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 45.108 93.614 44.925 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 45.296 92.238 45.528 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 69.467 62.984 19.859 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 69.435 62.030 19.940 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 68.638 63.218 19.443 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 72.297 54.548 22.842 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 71.688 54.816 23.530 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 71.794 54.630 22.032 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 49.854 79.124 61.563 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 49.560 78.467 62.195 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 50.725 79.378 61.869 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 84.774 51.677 16.960 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 85.019 50.781 16.728 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 85.554 52.197 16.766 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 33.605 58.319 -14.732 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 34.528 58.441 -14.955 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 33.570 58.431 -13.783 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 79.794 0.099 31.479 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 80.588 -0.379 31.717 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 79.347 0.251 32.312 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 52.624 35.249 49.590 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 52.609 34.936 48.685 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 53.064 36.097 49.543 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 20.696 48.934 -0.420 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 20.229 49.657 -0.839 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 20.083 48.601 0.235 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 54.120 84.859 8.276 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 55.042 84.690 8.085 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 53.678 84.034 8.075 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 37.918 74.310 -14.558 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 38.023 74.221 -15.506 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 38.669 73.845 -14.189 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 37.441 78.848 41.358 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 37.629 78.606 40.451 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 37.150 78.034 41.768 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 54.122 18.137 39.283 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 53.303 18.499 39.620 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 54.379 18.736 38.582 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 54.841 14.544 24.672 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 53.968 14.730 24.328 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 54.840 13.600 24.833 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 45.197 0.942 47.547 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 45.629 0.655 48.351 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 45.473 0.307 46.886 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 52.302 8.964 56.418 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 52.094 9.860 56.680 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 52.739 8.586 57.181 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 73.744 82.808 -16.724 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 74.186 83.557 -17.123 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 73.806 82.966 -15.782 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 65.214 25.730 42.276 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 65.683 24.934 42.526 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 64.306 25.563 42.529 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 50.661 5.584 1.677 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 51.053 6.345 1.249 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 49.812 5.478 1.249 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 26.888 16.536 32.765 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 26.293 15.961 33.247 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 27.197 16.002 32.034 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 52.506 9.642 32.126 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 52.470 10.359 32.759 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 52.674 10.071 31.287 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 60.177 77.830 55.632 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 60.156 78.587 55.047 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 59.827 78.158 56.460 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 66.542 65.640 20.790 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 66.425 65.105 20.005 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 66.316 65.057 21.514 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 70.948 3.422 55.544 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 71.691 3.518 54.948 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 70.479 4.254 55.478 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 27.032 -0.219 60.135 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 26.115 -0.147 59.869 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 27.231 0.625 60.540 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 32.227 59.207 -20.229 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 32.760 59.227 -19.434 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 31.978 60.120 -20.374 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 85.420 22.017 56.108 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 85.525 22.960 55.986 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 84.801 21.936 56.835 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 33.582 64.054 -0.099 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 34.073 63.939 0.714 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 32.819 64.575 0.153 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 53.807 83.058 43.678 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 54.024 82.934 42.754 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 53.136 82.399 43.857 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 77.534 82.692 37.884 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 77.380 83.320 37.179 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 76.801 82.822 38.486 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 52.528 60.718 49.502 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 52.847 61.085 48.678 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 51.586 60.610 49.368 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 53.950 12.214 36.019 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 54.614 11.558 36.232 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 54.450 12.974 35.722 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 76.672 11.738 3.961 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 76.917 10.877 4.300 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 75.864 11.958 4.425 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 86.628 8.057 48.513 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 86.191 8.238 47.681 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 87.399 8.625 48.507 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 86.301 56.433 32.647 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 85.634 56.394 33.332 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 85.806 56.553 31.836 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 56.255 13.574 -9.099 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 55.973 12.852 -8.537 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 56.857 14.080 -8.554 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 70.127 0.440 -14.731 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 69.932 0.930 -13.932 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 70.206 -0.469 -14.441 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 57.147 17.009 -6.279 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 57.831 17.211 -5.641 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 57.486 16.257 -6.765 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 32.155 54.872 35.132 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 32.950 55.256 34.764 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 31.520 54.902 34.416 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 78.148 75.544 2.310 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 78.811 75.039 2.780 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 77.598 75.918 2.999 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 75.719 23.541 -12.906 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 75.356 24.118 -13.579 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 75.080 23.570 -12.195 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 53.977 84.192 51.199 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 54.608 83.994 50.507 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 53.146 84.311 50.739 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 39.102 1.116 0.861 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 39.179 1.809 0.206 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 39.486 1.491 1.653 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 85.198 39.604 66.933 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 85.230 39.633 67.889 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 84.914 40.481 66.676 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 89.355 90.993 -11.466 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 88.445 91.243 -11.627 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 89.324 90.047 -11.328 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 62.617 84.270 42.743 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 62.500 84.103 43.678 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 63.317 83.673 42.478 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 58.284 15.476 -3.273 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 58.424 14.565 -3.533 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 57.621 15.430 -2.584 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 23.292 52.308 10.636 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 23.222 51.414 10.302 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 23.350 52.854 9.852 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 54.727 70.261 -13.518 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 54.443 69.733 -14.264 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 54.562 69.707 -12.755 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 34.721 56.088 34.348 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 35.097 56.404 35.169 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 35.467 56.021 33.752 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 60.037 42.434 44.558 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 60.447 41.584 44.400 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 60.642 43.068 44.174 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 58.021 27.785 46.844 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 58.110 28.675 46.504 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 58.649 27.270 46.338 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 85.873 71.591 63.020 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 84.973 71.836 62.803 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 86.207 71.176 62.225 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 81.944 95.802 5.441 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 82.539 95.332 6.025 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 82.390 95.803 4.594 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 56.130 94.257 54.474 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 55.608 93.512 54.772 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 57.017 94.066 54.781 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 65.201 30.590 51.403 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 65.608 30.837 52.234 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 64.272 30.492 51.610 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 21.013 19.744 -4.052 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 21.156 20.556 -3.566 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 21.890 19.466 -4.319 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 60.762 92.219 45.895 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 61.090 93.085 45.651 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 60.545 91.801 45.062 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 54.414 16.352 56.520 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 53.744 15.797 56.920 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 54.446 17.129 57.077 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 64.399 41.273 41.030 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 64.026 41.551 40.193 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 65.333 41.167 40.852 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 27.360 91.744 9.635 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 27.952 92.455 9.390 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 27.468 91.658 10.583 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 84.993 40.002 -17.786 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 85.659 39.841 -17.117 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 84.274 40.422 -17.313 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 38.342 1.418 18.120 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 37.975 0.801 18.752 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 37.895 2.245 18.303 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 79.330 62.159 51.598 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 79.323 61.212 51.461 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 78.483 62.455 51.265 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 70.935 29.210 39.834 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 70.246 28.550 39.904 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 70.628 29.808 39.153 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 41.347 90.616 46.880 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 42.111 90.934 47.361 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 41.665 90.482 45.987 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 26.942 93.876 -11.589 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 26.357 94.360 -11.006 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 27.595 94.520 -11.861 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 67.418 90.840 58.402 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 67.975 91.540 58.743 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 66.609 91.281 58.142 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 63.231 43.634 -1.512 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 63.979 44.196 -1.310 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 62.968 43.271 -0.666 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 71.761 44.140 62.007 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 70.902 44.532 61.845 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 72.384 44.841 61.815 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 50.463 91.673 -0.847 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 49.747 91.628 -0.213 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 50.574 90.770 -1.147 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 78.866 80.485 56.662 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 79.100 81.276 56.176 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 77.911 80.444 56.609 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 28.208 46.139 58.659 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 28.814 46.516 58.021 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 27.869 46.892 59.142 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 82.202 80.917 64.869 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 81.558 80.303 65.222 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 81.984 81.754 65.277 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 23.182 57.245 -12.520 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 22.760 56.753 -13.224 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 23.688 57.921 -12.971 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 69.753 79.897 67.456 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 69.660 80.209 66.555 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 70.648 80.135 67.700 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 84.476 60.055 -8.082 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 85.149 60.586 -7.656 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 83.670 60.560 -7.976 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 23.863 64.487 -10.646 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 24.063 64.074 -11.486 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 24.684 64.442 -10.155 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 87.966 37.615 62.746 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 87.958 38.561 62.595 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 88.895 37.387 62.784 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 36.602 58.486 25.219 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 36.398 58.752 24.322 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 37.160 59.187 25.557 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 72.541 69.187 23.585 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 71.770 68.763 23.207 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 72.222 70.034 23.894 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 21.890 0.995 51.876 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 21.434 0.418 52.489 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 21.268 1.124 51.160 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 29.148 24.215 27.038 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 29.339 24.647 27.870 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 28.826 23.348 27.285 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 78.039 32.601 14.391 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 77.941 32.156 13.549 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 78.642 33.322 14.212 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 78.953 66.233 60.858 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 79.252 65.529 60.283 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 78.656 65.786 61.651 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 79.654 21.495 6.482 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 79.407 21.551 7.405 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 80.421 20.921 6.474 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 26.644 6.883 5.692 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 26.169 6.462 4.975 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 27.349 6.272 5.904 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 33.003 4.843 31.219 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 32.729 4.098 31.754 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 32.211 5.372 31.122 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 76.523 69.040 27.983 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 77.040 68.918 27.187 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 75.692 68.602 27.799 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 59.355 52.081 64.325 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 59.604 52.982 64.530 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 58.627 51.892 64.917 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 77.664 9.751 7.826 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 76.854 10.115 8.182 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 78.235 10.510 7.703 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 82.940 61.814 -5.577 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 82.724 61.702 -4.652 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 83.610 62.497 -5.587 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 84.029 51.186 47.175 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 83.564 51.762 46.568 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 83.542 50.363 47.147 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 89.906 90.509 35.364 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 89.285 90.060 34.791 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 90.755 90.126 35.144 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 52.730 89.280 -7.135 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 52.637 88.609 -7.811 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 52.176 90.001 -7.434 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 41.647 87.328 46.621 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 41.417 87.830 47.403 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 40.806 87.100 46.226 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 46.138 37.411 38.723 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 45.656 37.386 37.897 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 46.341 38.337 38.855 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 54.824 26.240 30.789 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 55.727 26.186 30.476 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 54.294 26.237 29.992 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 80.108 29.748 -4.401 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 80.758 29.374 -4.996 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 80.336 29.391 -3.543 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 85.677 3.971 40.271 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 86.076 3.350 40.879 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 86.419 4.412 39.857 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 42.726 94.638 48.038 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 43.010 95.341 47.454 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 43.528 94.160 48.246 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 64.621 6.062 16.455 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 65.065 6.876 16.218 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 64.721 5.502 15.684 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 27.401 1.896 61.978 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 28.289 2.121 61.702 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 27.498 1.599 62.882 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 78.632 79.836 8.665 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 79.215 79.221 8.221 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 78.256 79.332 9.387 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 29.756 82.426 20.476 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 29.008 82.274 21.053 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 30.475 81.942 20.882 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 83.682 56.317 51.545 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 84.450 56.867 51.694 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 83.810 55.958 50.666 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 74.713 13.914 -5.598 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 74.628 14.736 -5.115 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 73.824 13.560 -5.626 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 64.918 69.248 -5.570 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 64.647 68.764 -6.350 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 64.418 68.852 -4.856 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 90.834 7.865 -15.515 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 91.048 7.332 -14.749 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 90.342 8.606 -15.162 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 36.494 88.970 -18.178 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 36.577 89.634 -18.863 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 36.891 88.185 -18.556 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 88.608 73.357 17.771 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 89.177 72.622 18.000 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 88.047 73.474 18.538 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 54.599 83.603 21.458 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 55.315 84.228 21.570 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 54.385 83.648 20.526 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 56.761 40.226 41.519 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 56.455 40.065 40.627 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 57.187 41.082 41.476 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 22.013 93.097 -1.220 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 21.675 92.794 -0.377 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 21.968 94.052 -1.167 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 70.550 53.556 30.481 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 71.317 53.502 29.910 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 70.026 52.788 30.252 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 81.195 2.968 43.107 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 82.141 3.105 43.170 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 80.936 3.448 42.320 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 27.454 3.572 53.132 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 27.692 3.040 52.373 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 27.273 4.439 52.770 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 38.249 31.396 -11.990 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 38.783 31.631 -12.749 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 38.380 30.453 -11.888 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 25.703 31.400 21.710 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 25.904 32.311 21.921 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 24.752 31.383 21.599 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 65.216 60.139 -9.713 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 64.837 60.237 -8.839 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 64.812 59.344 -10.062 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 20.498 94.246 5.587 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 20.250 94.511 6.473 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 20.934 93.402 5.703 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 47.829 1.258 -9.472 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 47.949 0.832 -10.321 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 48.415 2.015 -9.499 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 81.339 85.641 -2.773 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 81.642 86.423 -3.233 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 81.363 84.949 -3.434 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 40.480 1.663 25.248 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 41.122 1.131 24.777 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 39.767 1.789 24.622 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 86.894 7.194 39.814 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 86.854 7.143 40.769 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 87.044 6.292 39.532 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 32.241 73.207 54.704 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 32.326 72.661 53.922 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 32.889 73.900 54.585 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 67.347 58.296 25.508 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 67.076 58.970 24.886 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 66.703 57.596 25.401 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 85.578 41.150 48.447 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 85.366 40.623 47.676 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 86.409 40.793 48.760 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 50.044 88.588 59.404 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 49.512 88.681 58.614 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 50.936 88.784 59.118 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 36.793 12.036 45.573 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 36.741 12.655 44.845 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 37.401 12.443 46.191 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 42.510 70.075 10.074 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 43.442 70.133 10.283 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 42.127 69.602 10.814 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 31.544 84.257 50.080 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 31.416 84.319 49.134 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 32.371 84.711 50.241 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 85.212 88.882 24.730 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 84.871 88.234 24.113 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 84.481 89.483 24.875 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 72.320 72.637 49.911 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 72.224 73.240 49.174 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 71.834 71.856 49.647 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 88.527 65.202 13.642 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 88.818 64.312 13.442 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 88.693 65.695 12.838 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 48.982 4.979 14.228 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 49.239 5.218 15.119 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 48.057 5.219 14.174 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 72.961 59.153 -1.393 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 72.891 58.848 -0.488 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 72.307 59.849 -1.463 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 60.826 90.656 57.938 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 60.683 91.137 57.123 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 60.910 89.742 57.666 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 39.080 8.809 56.575 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 38.428 8.837 57.276 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 38.625 9.159 55.809 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 85.268 61.187 57.228 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 85.528 61.353 56.322 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 85.011 60.265 57.238 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 37.572 11.846 6.488 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 36.787 12.050 5.981 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 37.332 12.043 7.393 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 36.821 48.589 10.622 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 36.064 49.136 10.413 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 37.058 48.837 11.515 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 29.705 54.942 58.438 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 29.052 54.996 59.135 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 30.520 54.723 58.889 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 57.454 22.356 63.597 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 56.651 22.236 64.104 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 57.191 22.195 62.690 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 63.855 76.607 -3.693 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 63.454 77.458 -3.514 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 63.310 75.981 -3.215 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 79.897 95.151 20.649 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 79.402 94.765 21.372 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 79.262 95.700 20.189 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 60.536 7.672 54.988 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 59.974 7.286 54.316 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 60.923 6.920 55.437 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 39.906 59.027 64.388 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 40.225 59.613 63.702 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 39.279 58.457 63.944 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 51.530 -0.077 65.068 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 51.071 -0.405 65.841 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 50.897 0.500 64.640 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 26.239 83.042 49.977 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 26.940 82.462 50.274 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 25.649 83.110 50.728 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 89.181 92.590 25.152 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 89.006 91.832 24.594 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 88.316 92.954 25.339 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 67.555 19.122 66.730 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 67.669 18.363 66.159 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 67.779 19.872 66.179 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 30.760 30.136 5.258 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 30.041 29.652 4.851 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 30.514 31.056 5.164 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 85.883 1.192 -18.659 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 85.641 2.080 -18.922 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 86.259 1.296 -17.785 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 28.004 62.357 60.977 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 28.648 61.670 61.145 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 27.157 61.930 61.107 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 22.588 26.167 41.005 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 23.327 26.447 41.545 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 21.906 25.934 41.635 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 46.884 90.802 48.410 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 46.994 90.247 49.182 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 47.472 90.424 47.756 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 90.617 77.956 -5.760 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 90.524 77.906 -4.809 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 90.128 78.741 -6.008 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 80.524 70.483 -4.812 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 80.109 71.272 -5.160 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 79.851 70.079 -4.265 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 89.339 6.417 -17.390 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 89.156 5.588 -16.949 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 89.917 6.887 -16.789 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 53.791 14.982 10.983 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 53.594 15.901 10.799 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 54.253 14.999 11.821 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 46.064 83.546 10.502 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 46.496 83.936 11.262 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 46.740 83.007 10.092 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 51.168 69.633 -4.401 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 51.763 69.510 -3.662 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 50.294 69.548 -4.023 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 60.048 84.008 27.704 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 60.244 83.479 26.930 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 60.705 83.744 28.348 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 57.394 88.629 16.470 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 58.077 89.288 16.595 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 56.741 89.062 15.921 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 21.919 81.571 42.722 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 20.983 81.391 42.643 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 22.317 80.713 42.869 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 89.474 61.055 66.774 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 89.984 60.869 65.986 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 89.583 61.996 66.914 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 30.581 70.694 -8.930 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 30.955 69.975 -9.438 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 31.140 71.445 -9.130 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 73.416 67.833 14.250 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 73.032 66.986 14.478 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 72.931 68.467 14.779 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 39.498 63.155 -5.816 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 38.569 63.200 -5.591 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 39.952 63.400 -5.010 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 39.785 2.088 -11.031 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 39.444 2.898 -11.408 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 40.121 2.345 -10.172 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 48.297 4.976 -14.497 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 47.874 5.825 -14.373 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 47.598 4.403 -14.814 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 76.722 62.076 36.502 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 75.874 61.659 36.658 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 76.689 62.885 37.013 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 61.822 11.944 56.456 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 62.005 11.013 56.579 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 61.697 12.041 55.511 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 72.354 65.151 -15.598 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 72.563 65.141 -16.532 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 71.422 64.935 -15.558 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 55.636 92.527 51.609 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 54.797 92.281 51.220 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 56.068 93.053 50.936 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 58.239 89.669 20.433 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 57.793 90.099 19.704 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 59.117 89.481 20.100 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 21.246 59.023 -4.560 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 21.977 58.711 -4.026 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 21.399 59.963 -4.652 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 37.139 7.200 32.433 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 36.390 6.919 31.907 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 36.855 8.023 32.833 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 26.093 90.789 30.593 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 27.001 90.596 30.826 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 25.822 90.049 30.049 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 57.896 87.018 46.268 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 57.270 87.475 46.830 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 57.605 87.212 45.377 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 34.704 42.381 -0.429 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 35.545 42.687 -0.769 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 34.075 42.592 -1.119 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 84.421 8.630 -2.896 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 83.573 9.072 -2.921 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 84.316 7.945 -2.236 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 59.980 26.379 -19.429 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 59.186 26.834 -19.148 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 60.534 26.359 -18.649 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 29.481 5.687 -7.886 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 28.693 6.130 -7.574 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 29.184 4.810 -8.128 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 78.603 75.110 57.894 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 79.450 74.768 57.608 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 77.990 74.390 57.743 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 22.894 92.565 54.102 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 22.221 92.435 54.771 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 23.707 92.286 54.523 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 83.343 69.870 2.508 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 82.509 70.039 2.070 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 83.669 70.737 2.748 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 75.161 81.457 16.846 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 74.604 81.936 16.233 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 75.161 80.557 16.518 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 50.655 15.469 -13.504 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 51.482 15.818 -13.171 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 49.986 15.860 -12.943 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 30.406 8.242 -3.876 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 29.524 8.513 -4.133 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 30.267 7.558 -3.221 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 30.288 78.087 -20.122 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 30.877 77.365 -20.342 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 29.666 77.709 -19.500 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 55.180 85.183 -16.325 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 55.588 85.703 -17.017 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 55.463 84.286 -16.500 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 22.249 21.548 56.706 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 22.522 21.162 55.873 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 22.466 20.884 57.361 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 36.298 12.741 33.291 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 35.560 13.341 33.179 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 37.034 13.307 33.524 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 75.826 20.624 -14.051 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 76.002 20.959 -14.930 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 75.840 21.400 -13.491 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 54.132 78.414 49.745 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 53.303 78.029 49.459 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 54.686 78.396 48.965 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 60.003 83.954 65.904 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 59.326 84.197 65.273 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 60.775 84.451 65.631 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 27.315 18.295 54.713 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 28.048 18.363 55.324 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 27.170 17.353 54.616 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 78.433 66.596 48.503 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 78.408 67.126 47.706 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 78.722 67.203 49.185 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 69.467 12.928 -13.007 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 70.190 12.866 -13.631 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 68.810 13.462 -13.455 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 38.740 12.769 21.764 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 38.301 12.577 20.936 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 39.558 13.196 21.510 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 70.011 94.295 -8.995 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 69.970 93.483 -9.501 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 70.821 94.222 -8.490 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 36.879 1.759 50.161 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 36.277 2.387 49.761 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 37.223 2.213 50.930 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 40.635 5.516 1.451 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 40.215 5.396 2.302 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 40.137 6.220 1.034 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 81.953 52.683 46.451 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 81.479 52.448 45.654 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 81.566 53.515 46.724 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 22.204 50.867 60.764 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 22.543 51.332 59.999 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 22.625 51.295 61.510 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 89.517 61.775 55.773 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 88.773 62.345 55.968 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 89.134 61.033 55.306 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 42.673 71.454 31.963 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 43.456 71.554 32.505 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 42.702 72.199 31.362 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 85.471 68.686 48.530 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 85.402 67.781 48.834 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 85.812 68.615 47.638 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 59.807 84.433 -18.510 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 60.755 84.528 -18.412 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 59.689 84.126 -19.409 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 27.298 29.034 56.635 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 27.431 29.208 57.567 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 27.998 28.422 56.404 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 21.783 54.232 61.715 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 21.119 53.600 61.990 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 21.819 54.869 62.429 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 23.573 2.117 50.130 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 23.116 1.507 50.709 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 24.500 1.995 50.337 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 68.923 91.007 -7.477 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 68.185 90.671 -7.985 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 68.522 91.396 -6.700 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 88.976 42.689 54.959 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 89.202 43.472 55.461 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 88.209 42.330 55.404 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 85.236 63.618 17.038 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 85.508 64.367 17.568 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 85.535 63.829 16.153 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 74.665 85.477 5.501 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 75.446 84.987 5.758 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 74.238 84.921 4.849 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 50.160 54.392 -18.356 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 50.432 55.217 -18.758 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 50.960 54.042 -17.963 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 41.479 77.636 7.805 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 42.138 78.059 8.355 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 41.711 76.708 7.823 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 60.642 45.774 2.642 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 60.510 46.203 3.487 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 60.198 44.930 2.728 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 47.036 13.006 60.497 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 46.392 12.993 59.789 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 46.897 12.181 60.963 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 72.015 6.623 -7.067 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 71.298 7.234 -6.897 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 71.664 6.015 -7.717 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 70.380 62.795 17.022 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 70.674 62.087 17.595 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 69.439 62.649 16.923 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 83.412 26.458 42.452 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 84.173 26.873 42.046 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 82.664 26.961 42.129 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 22.107 46.153 22.491 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 23.007 46.017 22.789 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 21.904 45.372 21.976 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 74.220 64.525 23.785 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 74.318 63.580 23.902 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 73.285 64.652 23.626 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 62.102 87.933 67.413 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 62.973 87.652 67.695 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 62.253 88.764 66.963 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 34.517 87.469 -9.659 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 34.233 88.051 -8.953 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 34.792 86.668 -9.213 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 71.238 39.806 -18.157 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 70.944 39.021 -18.620 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 72.104 39.989 -18.521 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 77.233 82.499 51.421 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 76.328 82.342 51.150 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 77.738 82.456 50.609 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 33.521 18.151 27.341 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 33.982 18.132 26.503 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 33.233 19.059 27.436 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 30.607 56.838 37.378 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 31.166 56.103 37.123 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 30.953 57.584 36.889 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 62.035 35.692 31.358 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 61.412 36.179 30.818 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 62.865 35.758 30.886 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 71.279 20.992 66.377 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 71.326 20.734 67.297 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 72.171 21.259 66.156 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 79.386 34.868 63.982 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 79.859 35.421 63.360 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 80.043 34.249 64.300 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 28.491 77.044 -18.458 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 28.041 77.706 -17.934 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 28.035 76.227 -18.255 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 21.798 58.931 5.515 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 22.361 58.424 4.931 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 21.486 58.296 6.159 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 78.161 88.334 59.516 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 77.671 87.552 59.262 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 77.786 88.590 60.359 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 89.513 13.337 4.713 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 89.105 12.949 5.488 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 90.125 13.985 5.063 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 66.012 72.829 49.799 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 65.268 72.972 50.383 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 66.723 72.553 50.378 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 21.640 31.563 -18.288 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 21.233 32.428 -18.333 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 22.370 31.608 -18.905 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 61.156 94.340 40.366 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 61.046 93.395 40.265 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 62.046 94.444 40.703 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 41.524 2.447 -4.722 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 41.609 3.337 -4.380 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 42.361 2.030 -4.516 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 37.154 52.115 -5.841 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 37.434 53.023 -5.958 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 36.740 52.102 -4.978 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 46.105 55.755 52.106 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 45.557 55.999 52.851 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 45.548 55.898 51.341 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 60.455 81.599 59.400 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 59.568 81.958 59.395 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 60.408 80.838 58.820 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 27.970 22.668 15.472 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 27.276 22.782 14.824 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 28.121 21.723 15.498 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 67.108 28.265 65.920 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 67.251 29.208 65.837 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 66.981 27.961 65.021 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 55.246 15.646 12.929 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 55.430 16.543 12.648 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 54.986 15.731 13.847 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 62.229 72.676 63.480 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 62.166 73.076 62.613 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 63.017 72.135 63.439 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 85.533 31.474 54.454 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 85.763 30.580 54.201 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 86.309 31.803 54.908 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 67.653 12.010 67.513 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 68.282 12.725 67.604 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 67.062 12.297 66.817 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 61.275 73.570 33.111 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 61.309 72.791 33.665 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 60.368 73.869 33.173 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 35.451 80.838 65.406 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 34.883 80.154 65.761 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 35.692 80.522 64.535 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 61.441 80.074 14.572 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 60.717 79.889 15.171 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 61.072 79.936 13.700 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 23.363 91.482 26.043 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 22.447 91.367 25.791 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 23.381 92.321 26.503 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 28.939 59.164 60.884 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 29.696 59.271 61.459 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 28.309 58.667 61.406 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 28.812 84.260 47.016 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 27.865 84.286 46.881 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 28.930 83.697 47.781 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 57.945 71.757 67.064 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 58.548 72.108 66.409 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 57.636 72.526 67.543 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 77.878 81.424 60.229 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 77.443 81.314 61.074 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 78.354 82.251 60.310 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 22.842 3.350 7.904 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 22.266 2.788 7.386 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 22.739 3.037 8.802 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 40.144 94.768 31.546 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 40.288 95.685 31.779 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 39.886 94.792 30.624 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 65.453 58.455 60.902 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 65.162 57.969 60.130 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 65.298 59.373 60.680 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 73.479 91.558 64.295 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 73.962 92.044 64.964 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 73.269 92.212 63.628 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 37.062 54.371 50.688 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 37.191 54.632 51.599 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 37.551 55.019 50.181 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 55.196 91.814 27.230 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 55.445 91.039 26.726 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 55.427 92.552 26.666 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 81.605 94.723 18.422 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 81.924 93.828 18.533 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 81.211 94.944 19.266 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 45.371 37.242 52.215 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 45.657 37.229 51.302 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 45.076 38.141 52.361 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 72.599 14.384 46.420 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 72.374 13.958 47.247 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 72.152 13.863 45.753 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 24.122 91.175 -13.669 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 24.731 90.458 -13.844 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 24.265 91.793 -14.386 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 66.860 9.590 7.453 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 67.753 9.645 7.792 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 66.369 9.143 8.143 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 44.983 57.873 11.903 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 45.725 58.141 11.362 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 45.024 58.448 12.667 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 64.195 71.577 13.538 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 64.175 70.866 12.896 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 64.043 71.145 14.378 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 22.030 11.265 1.844 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 22.213 12.153 1.537 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 21.591 11.387 2.685 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 64.027 83.740 15.462 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 64.404 84.143 14.680 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 64.670 83.081 15.725 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 23.949 12.697 9.604 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 24.096 13.620 9.399 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 24.783 12.395 9.964 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 88.850 58.554 44.666 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 88.820 57.628 44.425 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 89.660 58.878 44.272 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 59.840 58.762 59.723 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 59.275 59.449 60.077 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 60.143 59.110 58.884 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 84.505 54.974 30.655 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 84.838 54.937 29.759 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 83.912 55.726 30.660 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 86.963 69.900 12.820 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 87.213 70.181 13.700 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 87.741 69.458 12.479 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 65.781 33.915 34.052 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 65.114 34.600 34.004 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 65.435 33.206 33.510 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 34.314 41.302 30.046 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 35.073 41.221 29.468 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 33.777 41.984 29.642 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 64.118 77.631 -11.024 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 64.750 77.653 -10.305 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 64.652 77.706 -11.815 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 29.605 39.008 -7.385 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 30.174 38.534 -6.778 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 30.108 39.784 -7.629 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 80.521 49.928 60.267 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 79.929 50.620 59.969 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 80.922 50.281 61.061 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 87.063 85.624 35.871 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 86.771 85.121 35.111 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 86.908 85.044 36.617 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 31.322 58.331 51.282 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 30.686 59.001 51.532 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 31.479 57.837 52.087 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 74.256 3.878 15.393 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 74.192 2.991 15.040 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 75.142 3.929 15.753 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 34.673 53.180 66.650 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 33.912 53.417 67.180 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 34.472 52.305 66.319 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 29.946 5.615 51.876 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 29.033 5.679 51.595 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 30.253 6.521 51.901 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 21.445 74.357 23.335 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 21.364 73.412 23.208 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 22.248 74.464 23.845 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 74.552 49.664 -0.900 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 74.026 49.499 -0.118 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 73.955 49.498 -1.630 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 69.155 2.128 40.905 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 69.309 1.643 40.094 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 68.236 1.962 41.114 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 26.777 64.301 42.000 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 27.584 63.796 41.894 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 26.523 64.536 41.107 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 65.541 87.502 55.673 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 65.676 87.809 54.777 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 65.869 86.603 55.671 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 69.766 48.496 61.433 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 70.151 48.947 62.184 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 69.413 49.199 60.887 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 28.066 15.302 37.834 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 28.748 14.666 38.054 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 28.541 16.041 37.455 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 75.415 73.142 26.725 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 75.924 73.929 26.919 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 74.514 73.455 26.638 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 75.594 81.709 -4.270 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 74.722 81.534 -3.918 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 76.144 81.016 -3.904 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 29.186 57.231 -8.183 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 29.299 56.316 -8.440 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 29.152 57.210 -7.227 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 44.472 55.260 0.306 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 44.078 55.911 0.886 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 45.034 54.737 0.878 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 44.992 10.376 55.000 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 44.464 10.837 54.348 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 44.516 10.495 55.822 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 63.908 95.558 33.937 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 63.853 94.750 33.426 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 63.308 95.420 34.669 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 34.807 49.920 -16.165 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 35.726 50.136 -16.327 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 34.716 49.959 -15.213 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 28.013 84.805 -14.586 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 27.773 85.704 -14.811 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 28.792 84.625 -15.112 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 60.581 57.163 52.995 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 61.223 56.461 53.098 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 59.754 56.709 52.828 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 72.048 38.621 0.010 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 72.405 37.998 0.642 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 72.379 39.472 0.298 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 89.011 64.648 -8.475 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 88.970 65.594 -8.617 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 88.749 64.269 -9.314 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 37.108 39.780 55.336 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 37.726 40.183 55.947 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 37.195 40.293 54.533 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 35.413 65.696 54.804 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 34.470 65.676 54.644 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 35.775 66.162 54.050 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 84.442 62.526 62.303 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 84.721 63.424 62.128 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 83.491 62.545 62.195 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 79.276 12.896 49.192 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 79.797 12.479 48.506 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 78.687 13.486 48.721 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 34.772 49.499 -13.445 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 35.672 49.563 -13.127 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 34.273 50.083 -12.874 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 61.527 83.482 46.201 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 60.817 83.303 46.817 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 61.609 82.677 45.689 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 25.160 94.565 45.933 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 25.870 95.202 46.011 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 25.405 93.859 46.532 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 70.015 59.344 -18.570 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 69.689 58.525 -18.943 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 70.926 59.394 -18.858 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 34.684 45.598 -7.404 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 33.785 45.730 -7.102 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 35.028 46.482 -7.527 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 71.215 72.417 35.959 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 71.462 71.650 36.474 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 70.268 72.333 35.842 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 80.331 84.898 17.252 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 79.629 84.680 17.864 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 80.217 85.832 17.078 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 48.420 69.123 29.104 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 48.382 68.369 29.692 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 49.195 68.967 28.564 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 71.236 70.245 49.065 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 70.745 69.485 48.752 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 71.395 70.768 48.280 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 65.878 84.785 46.203 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 65.767 85.306 45.407 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 64.992 84.693 46.555 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 79.607 68.014 43.616 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 79.579 68.212 42.680 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 80.524 68.138 43.861 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 24.429 93.101 36.379 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 24.489 93.705 35.639 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 25.293 92.690 36.424 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 66.633 10.081 -10.579 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 66.132 9.490 -11.141 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 67.267 9.514 -10.140 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 74.572 80.842 67.229 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 75.354 81.362 67.412 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 74.735 80.458 66.368 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 87.084 20.687 -4.164 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 86.296 20.662 -3.622 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 87.065 21.552 -4.575 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 45.031 79.750 40.452 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 44.138 79.569 40.158 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 45.050 80.696 40.595 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 70.983 81.081 -14.933 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 70.828 81.367 -15.834 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 71.895 80.790 -14.928 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 73.152 38.198 19.846 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 73.690 38.345 19.067 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 72.964 39.076 20.177 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 48.695 44.318 51.208 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 48.961 43.846 51.997 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 47.979 43.797 50.846 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 69.043 96.591 13.587 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 69.769 96.612 14.210 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 68.895 95.659 13.424 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 72.139 67.803 38.622 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 71.685 67.136 38.107 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 71.508 68.519 38.697 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 42.155 95.375 53.349 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 42.224 95.964 52.597 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 41.830 94.553 52.981 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 80.119 89.201 40.345 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 79.483 88.491 40.264 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 79.589 89.998 40.361 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 69.913 41.830 -3.287 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 68.983 41.695 -3.472 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 69.942 42.056 -2.357 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 87.501 86.131 65.639 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 87.393 85.691 64.796 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 87.720 85.428 66.250 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 47.788 78.219 36.018 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 47.079 77.614 36.238 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 48.082 77.937 35.151 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 20.302 12.612 -16.337 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 21.259 12.617 -16.343 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 20.063 13.203 -15.623 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 38.692 77.939 59.017 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 39.144 78.449 58.345 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 38.596 77.068 58.634 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 29.427 61.947 0.232 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 29.976 61.543 0.904 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 29.027 61.208 -0.227 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 52.630 65.072 52.150 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 51.802 65.128 52.627 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 52.695 65.905 51.683 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 22.778 54.321 -18.762 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 22.566 54.863 -18.002 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 22.451 54.819 -19.511 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 43.514 86.441 -16.848 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 43.778 87.019 -16.132 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 42.620 86.179 -16.628 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 87.430 3.549 44.582 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 87.480 3.027 43.781 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 88.181 4.141 44.529 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 25.774 91.628 -6.649 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 25.908 90.825 -7.153 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 25.656 91.329 -5.748 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 39.375 83.593 42.777 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 39.268 82.642 42.762 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 40.267 83.738 42.462 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 61.978 95.406 35.893 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 61.243 95.611 36.470 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 61.581 95.288 35.030 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 71.500 24.662 52.857 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 72.187 24.990 53.438 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 71.806 24.879 51.976 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 80.240 53.381 8.869 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 80.183 52.817 8.097 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 79.541 53.069 9.445 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 49.979 45.153 44.102 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 49.458 45.059 43.305 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 50.442 44.319 44.186 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 28.256 34.106 34.786 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 28.108 33.619 33.976 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 28.625 34.942 34.501 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 47.800 71.036 51.640 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 46.962 71.248 51.228 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 47.568 70.467 52.375 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 27.306 70.133 -14.607 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 26.933 69.947 -13.745 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 28.244 70.233 -14.446 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 85.112 72.031 -19.550 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 85.430 72.915 -19.366 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 84.173 72.071 -19.368 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 89.005 59.041 -7.443 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 89.809 59.514 -7.656 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 89.086 58.837 -6.511 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 27.125 43.101 56.471 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 26.984 43.981 56.123 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 26.248 42.721 56.526 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 86.005 80.655 -15.937 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 86.867 80.815 -15.553 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 85.423 80.550 -15.185 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 44.642 69.332 -2.345 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 45.546 69.071 -2.170 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 44.276 69.519 -1.480 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 89.749 85.814 -18.228 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 89.696 86.566 -17.638 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 90.504 85.316 -17.916 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 79.797 7.570 64.994 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 79.717 7.062 64.187 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 79.227 8.327 64.858 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 42.262 93.281 36.038 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 43.114 93.717 35.999 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 41.777 93.764 36.707 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 81.823 51.439 7.471 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 81.450 51.461 8.352 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 82.331 52.247 7.405 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 25.943 40.253 -6.296 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 25.676 39.712 -7.039 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 25.364 39.985 -5.583 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 65.398 47.777 58.730 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 66.105 47.267 58.334 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 65.098 48.356 58.029 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 43.200 9.937 38.662 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 43.783 9.556 39.319 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 43.749 10.036 37.884 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 79.158 82.017 31.480 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 78.806 82.163 30.602 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 79.484 81.117 31.461 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 62.957 63.311 -18.655 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 62.286 62.866 -18.138 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 63.414 62.605 -19.114 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 78.980 18.571 43.548 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 79.265 17.972 42.858 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 78.131 18.229 43.827 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 79.304 61.096 36.385 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 78.464 61.403 36.726 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 79.188 60.153 36.276 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 63.801 42.660 26.486 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 63.855 43.370 25.846 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 63.150 42.957 27.121 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 23.347 66.934 -15.911 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 24.279 67.024 -16.109 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 22.966 66.570 -16.709 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 80.897 65.618 47.415 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 79.999 65.516 47.728 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 80.805 66.008 46.546 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 71.998 77.865 -3.089 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 72.561 77.267 -2.598 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 71.107 77.591 -2.869 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 68.557 9.938 50.256 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 68.225 9.110 49.909 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 68.344 10.584 49.582 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 25.811 81.350 44.175 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 26.659 81.157 44.575 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 26.019 81.571 43.267 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 47.319 73.181 56.771 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 47.237 72.512 56.092 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 46.853 73.939 56.418 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 67.620 26.429 32.677 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 68.278 25.942 32.180 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 68.002 26.527 33.549 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 75.511 3.112 36.358 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 75.344 2.222 36.047 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 74.983 3.192 37.153 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 85.229 0.192 35.632 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 84.735 0.942 35.301 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 85.222 -0.437 34.911 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 32.829 79.199 67.668 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 33.347 79.135 66.865 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 31.942 78.958 67.401 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 84.936 15.291 -1.048 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 85.318 14.518 -0.633 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 84.047 15.337 -0.696 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 86.151 93.088 12.309 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 86.484 92.192 12.359 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 85.397 93.032 11.721 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 82.442 85.135 -11.355 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 83.019 85.887 -11.489 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 82.760 84.731 -10.548 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 57.425 71.651 -9.443 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 56.985 71.687 -8.594 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 58.289 72.029 -9.282 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 61.876 91.539 40.800 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 62.721 91.514 40.352 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 62.099 91.599 41.729 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 82.051 38.595 41.481 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 82.708 39.039 40.946 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 81.999 37.712 41.115 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 83.178 62.737 51.210 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 82.885 62.344 50.388 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 82.492 62.515 51.840 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 62.365 74.292 50.204 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 62.289 75.246 50.230 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 62.533 74.089 49.284 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 68.597 1.737 16.655 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 69.475 1.873 17.012 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 68.016 1.803 17.413 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 41.663 11.706 67.093 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 41.085 12.298 66.611 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 42.141 11.231 66.413 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 31.252 46.353 16.438 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 31.943 46.963 16.694 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 31.019 45.899 17.248 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 65.033 28.840 -13.725 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 65.829 29.268 -13.409 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 64.501 29.553 -14.079 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 77.489 29.313 54.139 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 78.001 29.467 53.345 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 78.120 29.401 54.853 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 53.013 20.240 -14.148 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 53.735 19.733 -13.775 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 53.253 21.152 -13.988 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 72.897 8.939 43.123 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 72.355 8.822 42.343 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 72.687 8.187 43.676 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 32.742 70.111 47.823 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 32.851 69.897 46.896 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 32.866 71.059 47.867 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 21.376 85.181 55.305 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 21.691 86.084 55.352 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 20.613 85.223 54.729 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 40.489 82.292 -4.667 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 40.919 82.166 -3.821 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 39.769 82.895 -4.483 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 85.417 6.926 -19.495 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 86.135 7.539 -19.336 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 85.700 6.112 -19.078 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 51.166 62.683 -11.486 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 50.781 62.121 -10.813 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 50.478 63.317 -11.691 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 54.640 68.372 -8.068 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 55.200 68.958 -7.559 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 55.190 67.609 -8.246 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 43.407 53.197 49.655 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 43.021 52.777 48.887 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 44.294 52.842 49.703 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 68.399 72.153 24.283 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 67.600 72.675 24.206 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 68.347 71.526 23.561 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 25.465 10.524 -14.101 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 24.958 10.911 -14.815 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 25.038 9.684 -13.931 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 76.080 75.159 21.229 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 75.453 75.256 21.946 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 76.645 75.929 21.300 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 29.319 11.209 11.340 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 30.045 10.689 11.685 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 29.666 12.099 11.285 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 26.291 45.252 51.230 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 26.630 44.554 51.790 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 26.957 45.360 50.551 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 60.815 96.492 -6.977 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 61.062 96.843 -6.122 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 61.548 96.717 -7.550 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 75.755 79.713 40.903 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 76.091 79.264 41.678 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 76.431 79.584 40.238 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 58.962 71.667 62.763 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 58.384 71.309 63.437 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 59.315 70.898 62.317 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 75.011 6.244 2.522 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 75.527 5.594 3.000 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 75.002 7.011 3.095 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 70.729 89.878 45.528 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 70.344 89.506 44.734 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 70.044 90.445 45.883 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 34.911 66.849 7.901 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 34.329 66.091 7.855 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 35.585 66.596 8.533 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 75.019 95.648 43.101 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 74.773 96.557 43.278 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 74.986 95.572 42.147 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 64.054 96.038 37.606 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 64.866 95.819 37.150 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 63.372 95.940 36.942 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 61.437 46.079 58.775 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 60.740 46.686 58.527 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 61.837 46.477 59.549 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 21.358 83.259 67.101 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 21.315 83.870 66.365 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 22.018 82.617 66.842 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 87.061 35.205 33.841 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 87.092 36.157 33.937 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 87.727 34.882 34.447 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 77.272 65.384 -16.951 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 78.035 65.337 -16.376 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 76.544 65.597 -16.367 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 64.514 1.389 55.740 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 64.540 0.481 55.438 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 63.653 1.483 56.147 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 55.152 93.951 -3.608 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 54.340 93.523 -3.336 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 55.797 93.681 -2.955 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 86.843 10.110 -4.292 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 85.960 9.788 -4.111 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 86.728 10.740 -5.003 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 29.931 94.878 45.061 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 29.116 95.360 45.205 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 29.933 94.203 45.739 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 84.818 86.589 66.709 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 85.769 86.483 66.703 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 84.520 86.044 67.437 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 21.731 84.607 32.575 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 20.872 85.026 32.628 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 22.264 85.070 33.222 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 52.538 5.211 27.791 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 52.462 4.779 28.641 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 51.653 5.521 27.599 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 41.781 27.532 45.738 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 41.638 27.461 44.795 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 41.993 28.455 45.880 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 83.315 7.525 4.983 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 84.023 6.881 5.009 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 83.528 8.085 4.236 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 24.801 45.835 -0.439 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 25.444 46.540 -0.371 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 24.874 45.363 0.391 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 22.447 58.854 40.339 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 21.906 59.482 39.860 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 22.998 59.394 40.905 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 21.924 53.010 -2.820 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 22.149 52.392 -3.516 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 21.012 52.810 -2.608 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 60.083 40.526 0.894 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 59.964 39.709 1.379 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 59.277 40.624 0.387 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 44.911 62.279 47.671 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 45.717 62.713 47.949 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 45.149 61.825 46.863 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 69.245 91.755 -17.241 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 69.499 92.146 -18.077 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 69.727 92.257 -16.584 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 77.299 38.537 40.005 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 77.415 38.904 39.129 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 76.646 37.846 39.891 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 51.346 31.044 46.225 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 52.239 31.008 46.567 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 51.407 31.606 45.453 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 87.850 49.360 -13.811 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 88.479 48.993 -13.190 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 88.282 49.287 -14.662 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 55.540 63.663 36.817 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 54.918 63.165 37.349 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 55.378 63.369 35.921 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 69.136 74.510 -17.626 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 68.488 74.456 -18.329 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 69.346 73.599 -17.422 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 70.120 84.569 30.113 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 70.262 85.000 29.270 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 69.215 84.259 30.075 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 38.871 73.641 60.360 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 38.699 74.437 59.857 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 38.770 73.907 61.273 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 34.107 53.914 13.693 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 34.964 53.497 13.785 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 33.829 54.093 14.591 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 39.103 80.867 19.295 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 39.540 80.696 20.129 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 38.576 80.084 19.135 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 60.968 76.817 20.952 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 60.561 77.484 20.399 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 61.897 76.849 20.723 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 47.776 95.368 -17.546 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 47.169 95.196 -16.826 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 47.263 95.204 -18.337 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 66.667 46.583 34.194 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 66.678 45.973 33.456 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 65.759 46.883 34.243 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 29.426 82.752 11.228 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 28.640 82.223 11.366 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 29.415 82.959 10.294 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 26.097 72.463 45.052 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 26.751 72.100 45.649 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 26.534 73.208 44.641 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 26.805 51.725 39.617 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 26.365 52.301 38.991 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 26.146 51.553 40.289 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 63.429 38.916 28.075 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 63.705 39.218 27.209 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 62.473 38.962 28.052 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 28.334 41.422 54.334 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 29.004 40.920 54.798 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 28.114 42.138 54.930 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 62.903 54.516 -7.502 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 63.125 54.877 -6.644 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 63.685 54.034 -7.770 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 73.952 68.092 44.994 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 74.212 67.374 45.571 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 74.736 68.282 44.479 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 25.678 88.261 44.887 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 26.368 87.771 44.440 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 25.694 89.126 44.480 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 78.755 93.836 43.311 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 78.976 94.579 42.749 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 79.470 93.214 43.179 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 58.643 82.500 39.148 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 58.570 81.652 38.710 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 59.171 82.325 39.926 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 30.814 79.612 45.464 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 30.938 80.107 46.274 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 31.259 78.779 45.622 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 86.373 83.843 44.060 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 86.058 84.227 43.242 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 86.466 84.588 44.654 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 57.143 13.543 63.129 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 56.994 12.647 62.827 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 56.266 13.919 63.207 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 44.014 78.178 2.073 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 43.375 77.930 2.741 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 44.612 77.432 2.025 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 79.501 67.074 -4.817 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 79.630 68.014 -4.942 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 80.382 66.726 -4.682 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 84.674 45.802 6.588 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 83.854 45.554 6.162 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 85.323 45.195 6.233 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 26.597 18.186 -19.306 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 26.674 18.269 -20.257 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 27.479 17.959 -19.013 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 41.042 68.883 33.119 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 41.339 67.980 33.008 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 41.776 69.327 33.544 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 56.881 44.390 -18.480 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 57.371 44.662 -19.256 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 56.857 45.170 -17.926 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 22.393 68.945 20.147 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 21.493 68.650 20.286 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 22.874 68.149 19.919 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 72.871 55.514 16.838 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 71.923 55.384 16.846 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 73.233 54.654 17.054 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 66.037 77.807 32.831 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 65.777 78.109 31.961 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 65.369 77.165 33.072 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 24.407 15.522 59.224 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 25.289 15.153 59.195 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 24.336 15.907 60.097 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 58.229 90.891 -15.727 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 57.358 90.675 -16.061 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 58.829 90.578 -16.404 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 23.635 18.155 58.195 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 23.696 17.290 58.602 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 24.027 18.042 57.330 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 48.668 56.673 67.166 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 49.039 57.076 67.951 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 47.903 57.210 66.959 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 29.832 84.229 60.272 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 29.668 83.394 59.835 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 30.701 84.493 59.966 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 66.719 24.729 12.769 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 66.795 24.425 13.673 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 65.796 24.604 12.550 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 43.112 12.826 3.277 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 43.178 12.652 4.216 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 42.191 13.050 3.139 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 34.923 86.175 2.232 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 35.461 86.476 2.963 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 35.305 86.598 1.463 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 35.624 38.020 -15.145 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 36.521 37.800 -15.395 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 35.620 38.975 -15.080 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 40.577 51.470 1.633 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 40.131 52.260 1.328 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 41.500 51.719 1.683 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 29.097 7.756 44.631 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 28.318 7.274 44.908 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 29.283 8.349 45.359 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 46.172 76.471 60.079 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 46.551 76.602 60.948 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 46.453 75.592 59.825 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 57.912 80.513 32.519 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 58.018 81.061 31.741 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 56.983 80.586 32.738 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 41.580 84.107 -7.115 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 41.040 84.724 -6.622 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 41.315 83.245 -6.794 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 63.588 75.564 20.671 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 63.671 75.301 21.588 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 63.933 74.821 20.176 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 28.757 51.309 27.064 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 28.462 51.787 26.289 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 29.711 51.290 26.986 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 30.778 68.690 54.998 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 30.679 69.355 55.679 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 30.108 68.909 54.350 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 21.016 58.253 53.895 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 20.890 59.198 53.979 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 21.849 58.162 53.432 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 44.684 8.736 60.104 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 44.910 7.853 60.396 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 45.467 9.045 59.647 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 44.472 25.396 -15.951 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 43.538 25.248 -16.095 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 44.507 26.107 -15.311 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 48.233 14.469 3.796 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 47.557 14.861 3.243 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 48.680 15.215 4.195 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 68.212 87.480 10.281 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 68.431 88.099 10.978 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 67.256 87.497 10.236 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 26.880 72.869 19.436 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 27.488 72.146 19.279 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 27.040 73.477 18.714 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 25.690 45.956 57.341 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 25.975 45.582 58.175 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 26.411 46.527 57.075 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 64.517 90.129 -3.532 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 63.668 90.189 -3.094 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 64.932 89.358 -3.147 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 37.497 13.202 12.693 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 37.633 13.663 13.521 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 38.206 12.560 12.658 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 51.032 14.052 50.793 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 50.788 13.213 50.402 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 50.443 14.687 50.386 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 34.568 95.566 37.954 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 35.141 94.882 38.301 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 34.166 95.172 37.180 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 72.638 62.199 -16.513 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 72.156 62.851 -16.005 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 72.044 61.963 -17.226 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 71.493 14.092 41.920 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 71.162 13.194 41.880 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 71.198 14.493 41.103 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 49.774 23.960 3.052 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 49.902 24.742 3.590 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 49.971 23.230 3.640 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 55.971 87.596 11.285 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 56.151 88.028 10.450 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 55.902 88.313 11.916 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 47.004 83.972 -15.903 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 46.094 83.728 -16.077 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 47.379 83.204 -15.470 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 79.990 94.389 34.782 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 79.224 93.983 34.377 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 80.144 93.875 35.575 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 75.179 68.301 66.631 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 75.093 67.649 65.935 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 74.598 67.990 67.325 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 22.508 42.509 54.055 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 22.148 43.195 53.493 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 23.025 42.980 54.708 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 29.176 34.526 62.045 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 29.585 33.952 61.396 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 28.364 34.079 62.282 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 30.595 5.111 -5.364 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 30.106 5.156 -6.185 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 31.258 5.797 -5.442 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 26.480 57.126 0.486 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 27.074 56.580 1.001 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 26.132 56.537 -0.184 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 77.932 19.447 34.285 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 78.387 18.824 34.851 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 77.126 19.655 34.757 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 36.941 38.564 -10.218 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 37.532 39.279 -9.982 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 36.142 39.000 -10.513 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 67.892 51.383 9.796 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 67.793 52.012 10.512 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 67.040 50.951 9.737 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 22.822 29.073 26.374 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 22.574 29.498 25.554 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 23.431 28.382 26.112 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 69.469 94.170 44.284 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 68.876 94.884 44.516 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 70.252 94.326 44.813 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 79.437 51.714 36.206 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 79.186 51.289 35.385 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 79.679 52.604 35.951 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 66.076 16.342 10.255 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 65.998 16.817 11.082 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 66.810 15.743 10.390 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 88.091 57.870 -16.925 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 87.259 57.566 -16.562 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 88.048 58.824 -16.860 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 24.204 8.931 -16.667 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 23.287 8.686 -16.787 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 24.693 8.290 -17.184 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 27.241 86.287 43.633 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 27.592 86.344 42.744 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 27.814 85.661 44.077 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 39.529 54.117 11.633 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 40.114 54.236 12.381 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 39.302 55.007 11.362 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 59.321 85.653 48.542 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 58.598 85.159 48.929 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 58.956 86.026 47.740 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 62.005 10.145 -16.321 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 62.473 10.663 -15.667 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 62.306 9.248 -16.177 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 71.542 90.834 58.892 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 71.341 89.948 58.588 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 71.156 90.880 59.766 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 31.839 79.461 60.797 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 32.187 80.320 60.561 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 31.042 79.372 60.274 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 60.145 32.059 6.970 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 59.801 31.996 6.079 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 60.651 32.872 6.975 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 38.199 0.025 66.443 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 38.324 0.883 66.039 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 37.286 -0.197 66.259 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 69.917 91.262 10.019 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 69.181 91.458 9.439 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 70.288 90.451 9.671 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 69.395 0.195 43.106 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 69.045 0.894 43.658 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 69.693 0.641 42.313 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 49.472 79.160 24.215 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 48.696 78.627 24.042 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 50.209 78.580 24.021 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 64.438 49.751 63.616 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 64.890 49.628 62.781 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 63.559 49.401 63.466 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 78.877 21.156 60.796 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 79.213 20.926 61.663 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 79.518 21.775 60.447 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 84.241 70.057 -3.041 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 84.531 69.587 -3.823 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 84.033 69.368 -2.410 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 41.720 33.146 56.744 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 40.812 32.925 56.949 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 42.093 33.429 57.579 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 23.072 43.686 -11.471 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 22.295 43.177 -11.241 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 22.806 44.199 -12.234 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 26.463 89.261 56.396 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 27.141 89.343 57.066 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 25.646 89.178 56.888 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 45.528 40.494 -6.327 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 46.074 40.757 -5.586 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 45.097 41.302 -6.606 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 65.830 8.452 16.114 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 65.432 9.243 15.752 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 66.773 8.608 16.056 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 53.719 4.996 0.402 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 54.560 5.454 0.412 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 53.580 4.770 -0.517 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 68.492 27.907 12.831 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 68.754 28.810 12.651 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 68.889 27.707 13.679 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 68.303 63.344 23.349 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 68.537 64.092 22.799 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 67.349 63.386 23.417 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 76.840 44.256 -13.377 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 77.671 44.704 -13.223 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 76.218 44.697 -12.798 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 21.018 78.472 57.264 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 20.118 78.149 57.314 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 20.943 79.415 57.411 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 66.285 45.720 -4.710 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 66.944 46.390 -4.890 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 66.556 45.334 -3.877 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 60.689 22.008 31.865 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 61.498 22.364 31.497 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 60.035 22.142 31.180 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 75.088 23.681 34.404 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 75.892 23.261 34.712 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 75.366 24.209 33.655 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 86.987 79.878 12.357 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 87.467 79.704 13.166 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 86.068 79.752 12.592 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 21.372 47.443 -15.701 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 21.496 46.994 -14.865 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 20.707 46.926 -16.155 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 36.264 91.043 24.895 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 36.583 91.943 24.955 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 36.713 90.582 25.604 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 42.358 20.737 55.699 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 42.070 21.598 55.395 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 43.255 20.656 55.376 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 35.516 50.579 -1.652 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 36.150 50.157 -2.232 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 36.049 50.979 -0.965 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 26.248 58.995 16.129 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 26.828 58.835 16.874 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 26.818 59.368 15.457 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 29.594 38.154 14.459 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 30.095 37.517 13.950 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 29.794 38.997 14.053 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 71.656 46.218 54.034 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 71.964 45.690 53.297 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 71.176 46.939 53.628 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 58.431 1.628 33.051 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 58.443 0.845 32.500 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 57.659 2.114 32.760 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 76.732 89.679 54.095 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 76.290 89.388 54.893 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 77.663 89.556 54.278 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 49.311 43.031 36.094 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 49.399 42.078 36.081 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 49.452 43.296 35.185 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 56.392 92.301 34.735 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 56.895 92.691 35.451 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 56.058 91.480 35.096 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 53.841 34.949 -10.798 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 54.696 35.305 -10.560 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 53.227 35.380 -10.203 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 63.116 70.035 2.589 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 63.651 69.257 2.751 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 63.290 70.606 3.338 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 89.809 90.622 59.203 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 90.352 89.849 59.047 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 90.184 91.297 58.639 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 36.806 61.317 12.941 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 37.599 61.649 12.521 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 37.037 61.246 13.868 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 51.066 3.128 9.606 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 50.478 2.398 9.800 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 50.790 3.823 10.203 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 80.263 71.761 -11.084 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 80.544 71.880 -10.176 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 79.901 72.611 -11.336 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 53.023 55.324 56.180 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 52.213 55.829 56.255 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 53.705 55.983 56.049 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 86.116 45.582 63.711 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 85.325 45.136 64.015 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 86.105 46.425 64.163 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 74.294 79.770 19.528 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 73.638 79.360 20.093 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 75.133 79.513 19.909 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 43.092 83.556 12.563 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 42.191 83.504 12.880 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 43.258 82.700 12.169 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 64.538 41.302 61.308 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 64.561 41.663 62.194 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 64.318 40.379 61.430 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 37.024 22.050 6.558 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 36.968 22.683 7.273 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 36.166 21.625 6.545 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 47.825 41.869 20.335 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 47.997 42.703 19.896 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 48.577 41.321 20.112 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 66.797 51.166 3.627 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 66.114 51.013 2.974 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 66.322 51.279 4.450 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 73.262 0.117 65.460 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 73.521 -0.594 66.047 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 73.822 0.851 65.713 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 40.528 47.862 18.692 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 40.921 48.733 18.747 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 41.206 47.272 19.023 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 88.893 93.153 -1.503 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 88.954 92.859 -2.412 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 88.116 93.713 -1.484 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 21.264 68.305 -14.681 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 21.864 68.108 -15.401 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 21.835 68.552 -13.953 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 81.377 9.581 48.591 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 82.079 8.951 48.428 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 80.652 9.280 48.043 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 49.223 54.423 -7.252 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 49.663 54.871 -7.974 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 49.277 55.037 -6.519 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 83.939 47.981 35.124 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 83.692 48.536 35.864 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 84.071 47.114 35.509 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 37.871 51.768 4.695 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 38.247 50.903 4.860 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 38.372 52.359 5.257 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 45.102 47.196 34.371 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 45.745 46.905 35.018 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 45.458 46.903 33.532 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 84.943 5.268 65.650 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 85.193 5.789 66.414 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 84.036 5.518 65.476 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 87.648 38.038 54.134 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 87.039 38.757 53.964 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 87.118 37.247 54.040 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 25.906 4.168 50.175 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 24.951 4.217 50.194 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 26.098 3.230 50.173 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 67.934 55.792 -6.644 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 68.707 56.339 -6.501 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 68.193 54.925 -6.332 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 66.072 35.494 6.469 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 65.546 34.695 6.436 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 65.481 36.182 6.162 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 29.094 62.785 -4.545 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 29.343 62.972 -3.640 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 29.653 63.357 -5.071 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 85.965 58.720 20.072 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 86.504 59.492 19.899 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 85.069 59.011 19.902 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 75.232 31.684 61.387 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 76.158 31.821 61.588 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 74.935 32.524 61.038 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 74.932 3.007 29.272 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 75.412 3.191 28.465 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 74.808 2.058 29.267 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 26.672 46.409 2.325 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 27.020 47.300 2.365 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 26.133 46.326 3.112 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 55.693 77.600 52.148 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 55.310 77.953 51.345 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 55.257 76.757 52.272 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 33.044 17.517 37.722 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 33.959 17.730 37.907 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 32.859 17.957 36.892 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 40.165 21.411 30.849 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 40.928 21.657 30.325 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 39.750 22.243 31.074 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 55.807 31.807 41.126 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 56.416 32.432 41.517 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 55.252 32.338 40.554 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 40.914 20.723 35.242 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 41.763 20.896 35.648 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 41.091 20.734 34.301 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 61.642 28.247 -5.776 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 61.419 28.867 -5.081 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 60.803 28.037 -6.188 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 25.402 89.879 49.570 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 26.339 89.951 49.755 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 24.996 89.774 50.430 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 56.524 79.004 5.043 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 57.393 79.102 5.434 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 56.100 78.325 5.567 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 29.708 45.799 34.720 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 30.274 45.119 34.355 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 29.460 46.335 33.966 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 71.737 45.726 58.738 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 71.811 46.264 57.950 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 71.910 46.332 59.459 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 90.668 80.323 -18.066 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 89.797 80.595 -18.357 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 90.808 80.801 -17.248 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 26.735 64.627 30.018 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 26.980 63.907 29.436 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 25.955 65.007 29.613 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 37.610 41.592 -13.162 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 37.042 41.435 -12.408 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 37.367 42.467 -13.467 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 35.577 33.448 64.073 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 36.313 33.752 63.542 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 34.800 33.724 63.588 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 67.580 17.982 2.957 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 68.217 18.113 3.660 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 67.965 18.422 2.199 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 55.067 96.625 -11.007 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 54.218 96.210 -11.161 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 55.657 96.201 -11.630 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 82.476 93.777 50.077 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 82.197 93.594 49.179 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 82.535 94.731 50.120 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 40.488 40.091 -5.125 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 40.324 40.297 -4.205 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 40.115 40.830 -5.606 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 74.866 2.612 -10.402 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 75.308 1.904 -10.872 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 75.159 2.517 -9.496 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 81.545 59.417 26.303 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 80.907 59.567 25.606 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 81.026 59.409 27.107 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 78.606 24.368 10.986 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 77.656 24.434 11.085 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 78.940 25.203 11.315 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 74.534 49.490 15.408 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 73.943 50.137 15.793 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 74.109 48.648 15.572 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 52.696 76.248 -12.988 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 53.516 76.737 -12.917 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 52.768 75.562 -12.324 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 76.494 88.637 -15.200 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 76.684 89.211 -15.942 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 76.060 89.204 -14.563 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 74.092 6.101 56.869 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 73.300 5.724 56.486 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 74.633 5.344 57.095 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 26.272 72.622 -16.108 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 26.663 73.438 -15.798 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 26.980 71.980 -16.054 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 34.762 86.760 63.197 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 34.138 86.870 62.479 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 35.418 87.442 63.051 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 35.163 80.077 8.515 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 35.406 80.693 7.824 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 35.590 79.257 8.267 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 58.558 33.717 34.548 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 58.059 33.085 34.031 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 57.925 34.067 35.175 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 89.110 76.092 21.258 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 89.033 75.255 20.799 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 88.379 76.094 21.876 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 23.537 79.730 43.613 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 24.332 80.258 43.685 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 23.665 79.210 42.820 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 78.851 93.152 -18.906 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 79.585 92.760 -18.433 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 78.814 94.054 -18.588 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 26.000 16.501 -5.857 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 26.443 17.287 -6.179 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 26.708 15.938 -5.544 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 86.503 82.286 8.801 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 85.982 81.483 8.792 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 87.384 82.003 8.554 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 28.279 7.898 13.215 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 28.994 8.429 12.865 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 28.361 7.983 14.165 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 69.653 75.329 2.559 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 70.025 74.493 2.839 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 68.709 75.223 2.676 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 54.510 21.648 41.015 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 55.417 21.449 41.249 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 53.986 21.189 41.671 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 77.097 35.251 -0.712 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 77.373 35.978 -1.271 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 77.000 34.511 -1.312 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 83.248 82.514 43.400 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 84.044 82.274 42.925 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 82.985 83.351 43.018 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 23.804 86.009 -0.481 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 23.914 86.953 -0.372 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 23.968 85.646 0.389 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 35.943 28.038 20.614 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 35.023 27.868 20.412 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 36.121 28.891 20.216 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 81.971 83.007 7.579 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 82.407 82.298 7.107 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 81.051 82.935 7.324 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 89.163 79.432 29.334 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 89.619 79.778 28.567 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 89.019 80.196 29.892 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 70.914 82.803 46.449 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 71.548 82.766 45.733 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 70.424 81.984 46.378 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 27.767 0.756 64.531 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 28.581 0.733 65.035 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 27.155 1.239 65.087 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 68.269 46.636 -15.309 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 69.075 46.820 -14.827 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 67.746 47.432 -15.217 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 84.541 66.357 56.371 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 84.307 66.899 55.618 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 85.107 65.675 56.008 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 53.273 7.477 43.269 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 53.281 8.038 42.493 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 53.058 8.067 43.990 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 62.471 37.512 -10.997 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 62.621 38.046 -10.217 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 62.982 36.717 -10.845 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 41.878 6.402 58.202 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 41.870 7.329 58.440 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 41.075 6.277 57.697 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 45.018 29.110 53.511 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 45.240 29.242 52.589 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 45.138 29.971 53.912 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 22.658 93.206 38.615 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 22.561 92.256 38.558 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 23.452 93.398 38.117 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 33.687 28.795 28.337 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 34.533 29.021 27.949 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 33.279 29.640 28.530 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 21.534 41.211 6.080 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 22.077 41.991 6.196 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 20.694 41.442 6.475 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 49.862 36.940 36.469 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 49.206 36.443 35.980 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 50.248 37.530 35.821 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 37.049 33.942 58.006 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 36.262 33.509 57.675 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 37.153 33.603 58.895 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 79.231 24.064 -7.914 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 79.781 24.682 -7.431 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 78.811 24.594 -8.591 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 38.295 87.156 -0.270 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 37.374 87.411 -0.214 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 38.777 87.939 -0.003 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 86.159 72.718 12.368 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 86.617 72.953 13.175 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 86.252 71.768 12.306 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 23.762 60.214 50.771 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 22.886 60.551 50.959 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 24.330 60.983 50.821 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 40.756 1.357 20.557 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 41.015 0.711 19.900 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 40.218 0.866 21.178 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 35.778 42.797 32.096 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 35.402 41.999 31.722 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 36.671 42.824 31.754 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 55.126 80.977 7.130 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 55.458 80.786 8.007 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 55.614 80.387 6.555 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 76.245 28.692 37.411 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 76.059 28.204 36.609 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 75.760 28.228 38.092 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 81.606 75.523 2.529 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 81.032 75.561 1.764 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 81.012 75.560 3.278 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 58.137 80.169 0.052 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 57.226 80.189 0.347 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 58.599 79.680 0.733 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 60.982 24.512 22.013 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 61.239 25.360 22.376 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 60.051 24.610 21.814 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 61.354 38.344 23.380 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 60.935 37.640 23.875 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 61.205 39.129 23.907 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 43.909 51.229 40.549 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 43.071 51.333 40.098 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 44.463 50.767 39.921 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 73.202 59.455 30.122 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 73.810 59.393 29.385 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 73.315 58.632 30.597 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 66.025 54.164 0.883 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 65.507 54.506 0.154 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 66.372 54.944 1.317 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 75.295 55.750 28.680 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 75.290 56.573 28.192 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 74.382 55.615 28.933 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 37.012 87.529 10.842 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 37.580 86.836 10.503 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 36.967 87.363 11.783 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 78.943 57.465 -7.048 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 78.036 57.498 -7.351 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 79.294 58.333 -7.245 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 44.688 80.308 54.962 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 44.574 81.215 55.247 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 44.879 79.826 55.767 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 45.258 93.844 42.626 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 44.815 93.009 42.474 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 46.051 93.796 42.093 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 49.157 4.143 39.375 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 49.862 4.504 39.913 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 49.606 3.625 38.708 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 39.133 14.799 48.860 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 38.479 14.233 49.270 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 39.871 14.794 49.471 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 44.077 46.514 -12.568 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 43.946 46.852 -13.454 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 44.850 46.978 -12.246 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 20.937 33.449 -0.401 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 20.690 33.577 0.515 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 21.667 32.830 -0.368 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 87.905 7.397 53.918 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 87.568 7.971 53.230 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 87.538 6.537 53.713 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 85.195 92.473 1.483 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 86.025 92.837 1.790 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 85.050 91.705 2.037 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 64.492 25.578 -5.884 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 65.311 25.841 -6.306 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 64.622 24.657 -5.661 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 58.632 26.765 12.814 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 58.195 26.150 13.403 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 57.977 27.444 12.648 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 78.074 50.940 10.001 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 78.162 51.693 10.585 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 77.249 51.089 9.539 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 80.338 48.854 2.032 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 80.965 49.456 1.631 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 80.518 48.909 2.971 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 42.068 63.185 -4.713 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 42.604 63.421 -3.956 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 41.811 62.277 -4.551 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 21.468 92.768 65.686 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 20.819 93.394 65.364 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 21.655 92.208 64.933 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 36.863 48.053 -4.973 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 36.513 47.834 -5.836 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 36.635 47.302 -4.424 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 25.627 77.159 32.092 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 25.957 77.013 32.979 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 26.193 76.626 31.534 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 37.258 61.107 46.905 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 37.507 60.968 45.991 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 38.049 60.901 47.403 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 25.174 66.086 19.489 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 24.830 65.280 19.875 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 26.109 66.068 19.690 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 31.536 2.502 7.195 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 31.994 3.342 7.216 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 31.075 2.501 6.356 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 39.161 78.203 -4.851 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 38.245 78.479 -4.836 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 39.433 78.221 -3.933 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 73.989 61.346 -7.926 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 73.511 60.843 -7.267 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 73.342 61.956 -8.279 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 44.196 82.973 -15.469 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 44.093 82.045 -15.678 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 44.166 83.009 -14.513 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 27.602 26.261 42.860 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 28.329 26.473 43.445 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 27.987 25.687 42.197 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 72.506 64.222 18.640 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 71.924 63.979 17.920 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 72.555 63.436 19.184 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 73.540 80.525 38.006 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 72.827 81.137 37.822 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 73.172 79.914 38.645 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 39.476 44.694 -11.582 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 38.524 44.790 -11.595 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 39.803 45.566 -11.358 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 53.679 73.726 7.997 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 52.903 74.092 8.422 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 53.948 73.006 8.569 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 79.367 8.211 2.928 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 79.737 8.263 2.047 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 79.941 8.760 3.463 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 47.587 33.258 -0.714 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 47.624 33.773 -1.520 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 47.576 33.909 -0.013 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 72.725 36.548 35.042 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 72.733 37.239 34.380 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 73.585 36.134 34.968 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 20.861 92.312 1.715 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 20.387 92.063 2.508 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 20.341 91.945 0.999 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 74.423 34.104 28.858 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 73.792 33.994 29.569 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 74.227 34.968 28.495 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 20.663 71.497 16.244 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 21.119 71.489 17.085 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 21.055 72.228 15.766 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 87.225 85.292 -13.338 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 88.003 84.862 -13.694 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 87.224 85.055 -12.410 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 34.940 94.676 -5.224 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 35.189 95.548 -5.529 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 34.072 94.528 -5.601 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 25.681 91.160 0.541 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 25.870 91.912 -0.020 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 24.775 91.291 0.822 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 57.602 60.732 58.186 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 56.687 60.895 57.957 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 58.023 61.590 58.120 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 63.486 75.962 59.916 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 63.555 75.930 58.962 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 63.040 76.790 60.097 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 21.423 12.309 33.446 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 20.600 12.705 33.735 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 22.044 13.037 33.422 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 62.266 30.369 52.122 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 61.746 31.164 52.003 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 62.192 29.907 51.287 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 61.862 95.998 60.048 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 62.547 96.660 59.949 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 62.295 95.270 60.494 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 43.320 78.551 -9.170 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 43.646 77.945 -9.836 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 42.593 78.086 -8.757 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 58.203 4.963 67.337 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 58.534 4.851 66.446 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 58.933 4.702 67.899 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 33.688 35.856 17.154 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 34.588 35.532 17.188 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 33.658 36.552 17.810 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 81.028 60.762 55.863 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 80.261 60.891 56.421 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 81.420 59.947 56.177 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 86.061 23.524 -1.446 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 86.592 23.634 -2.235 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 86.239 22.628 -1.160 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 52.299 39.822 32.050 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 53.080 39.374 32.374 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 52.410 39.841 31.099 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 61.672 91.832 9.438 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 61.694 91.341 8.617 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 61.602 91.161 10.117 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 27.544 91.504 34.386 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 27.204 91.376 35.271 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 27.016 92.219 34.028 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 30.344 8.844 64.253 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 29.727 8.112 64.259 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 30.234 9.258 65.109 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 28.992 39.201 33.288 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 28.901 39.149 32.336 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 29.276 40.100 33.453 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 41.458 15.636 -5.679 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 40.910 16.349 -6.009 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 41.900 16.007 -4.916 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 72.620 81.397 -10.732 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 71.846 80.938 -11.060 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 72.269 82.082 -10.162 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 22.674 82.404 49.737 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 23.330 83.101 49.749 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 23.171 81.604 49.903 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 70.831 22.492 6.790 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 70.181 22.386 7.485 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 70.415 23.081 6.161 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 76.889 46.620 13.559 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 76.951 45.945 12.883 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 77.148 47.428 13.115 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 29.270 88.956 -13.504 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 29.697 89.052 -14.355 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 29.991 88.821 -12.888 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 70.928 67.194 -3.082 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 70.828 67.956 -3.653 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 71.334 67.540 -2.288 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 66.212 47.790 37.248 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 66.594 48.471 37.800 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 66.336 48.108 36.354 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 69.081 77.854 31.690 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 68.426 77.384 32.206 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 69.119 78.725 32.085 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 67.495 24.548 -17.449 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 67.957 23.820 -17.864 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 67.932 25.331 -17.782 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 56.231 36.414 -16.911 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 56.260 37.098 -16.242 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 55.802 35.675 -16.480 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 81.808 28.487 65.758 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 82.567 28.379 66.331 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 82.164 28.416 64.872 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 73.204 3.559 58.746 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 73.455 2.809 59.285 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 74.002 3.792 58.271 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 28.654 52.794 24.813 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 27.889 53.110 24.333 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 29.189 52.356 24.151 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 24.454 77.387 63.502 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 24.847 78.180 63.868 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 24.957 77.215 62.706 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 47.794 6.966 35.246 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 47.721 6.014 35.175 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 47.453 7.169 36.117 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 24.721 13.618 46.931 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 24.127 14.347 47.107 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 25.204 13.498 47.749 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 38.435 25.034 46.982 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 39.307 25.110 46.595 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 38.473 25.578 47.769 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 26.505 12.324 10.586 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 27.213 11.895 11.066 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 26.939 13.009 10.079 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 40.710 11.918 -16.417 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 40.420 11.093 -16.806 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 41.609 11.749 -16.136 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 62.251 7.594 33.317 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 62.621 7.600 34.200 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 61.719 8.388 33.274 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 76.354 63.957 59.848 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 76.942 64.090 59.105 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 76.912 63.591 60.534 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 90.152 9.889 7.203 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 90.043 9.102 7.737 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 90.263 9.560 6.311 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 61.074 37.465 -17.374 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 60.539 37.064 -18.059 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 60.459 37.993 -16.866 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 20.168 25.112 -0.704 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 20.236 25.498 0.169 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 20.969 25.384 -1.151 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 36.648 36.259 56.794 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 36.628 36.784 57.594 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 36.917 35.388 57.086 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 83.363 68.741 66.315 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 82.843 68.824 65.515 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 82.726 68.816 67.025 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 89.665 21.391 9.626 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 90.385 20.776 9.767 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 89.900 22.159 10.146 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 20.157 83.722 57.570 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 20.859 83.405 58.139 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 20.594 84.307 56.951 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 43.528 69.558 -16.811 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 43.159 70.116 -16.126 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 44.170 69.013 -16.357 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 69.734 36.614 43.293 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 70.080 37.158 42.586 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 68.903 36.281 42.955 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 78.901 56.794 7.316 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 78.617 56.035 7.824 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 78.642 57.548 7.846 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 36.283 69.740 36.277 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 36.229 70.346 37.016 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 37.209 69.740 36.035 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 84.889 53.014 -7.087 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 85.171 52.741 -6.214 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 85.448 52.518 -7.686 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 25.434 14.962 5.759 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 25.956 14.653 5.018 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 25.933 15.697 6.115 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 57.721 15.562 57.821 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 57.689 15.399 58.763 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 57.808 16.512 57.743 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 88.049 34.719 -0.673 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 88.021 33.849 -0.274 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 88.972 34.970 -0.635 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 42.885 73.831 30.318 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 42.577 74.540 30.882 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 43.839 73.873 30.378 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 67.572 41.495 56.653 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 68.263 41.439 55.992 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 67.095 40.669 56.570 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 88.669 35.543 50.887 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 88.835 35.477 49.947 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 88.067 36.282 50.973 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 68.134 20.337 -14.472 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 68.067 20.751 -13.611 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 69.049 20.458 -14.726 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 37.870 62.396 30.900 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 38.551 63.033 31.114 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 38.278 61.545 31.060 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 67.840 55.626 15.333 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 67.155 55.517 15.992 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 67.490 56.284 14.731 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 32.772 36.427 66.195 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 32.041 36.427 65.577 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 32.427 35.991 66.975 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 30.174 51.687 47.181 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 29.719 52.287 47.772 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 31.073 51.662 47.511 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 85.387 74.593 41.670 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 85.645 73.925 42.306 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 86.132 74.655 41.072 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 59.127 36.748 36.062 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 58.635 36.185 36.660 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 59.887 36.223 35.809 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 50.837 61.710 1.256 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 51.384 60.963 1.499 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 51.193 62.442 1.760 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 77.618 31.415 5.643 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 77.709 30.463 5.660 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 78.430 31.742 6.031 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 56.168 22.245 -17.664 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 56.121 22.994 -17.069 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 55.272 21.912 -17.702 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 41.850 46.533 13.025 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 42.237 46.919 13.810 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 41.955 47.204 12.350 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 33.688 50.422 23.622 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 34.236 51.158 23.350 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 33.347 50.681 24.479 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 78.266 13.958 3.638 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 77.631 13.243 3.609 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 78.262 14.247 4.551 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 23.659 27.215 17.728 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 24.104 26.754 17.017 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 23.839 28.141 17.564 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 39.321 49.270 3.062 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 39.883 49.670 2.398 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 39.843 49.293 3.864 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 70.609 51.854 62.713 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 70.104 52.298 62.032 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 69.990 51.740 63.435 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 28.829 59.845 -15.833 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 28.838 59.403 -14.984 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 29.675 59.627 -16.225 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 30.609 88.340 6.340 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 30.006 88.939 6.780 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 30.357 88.380 5.418 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 63.351 77.072 63.684 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 62.619 76.456 63.638 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 63.993 76.728 63.063 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 57.825 11.693 37.388 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 57.319 12.236 37.992 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 58.365 12.317 36.902 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 63.777 25.697 57.574 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 64.024 24.780 57.687 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 64.599 26.145 57.375 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 34.990 61.259 25.433 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 35.926 61.150 25.602 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 34.561 60.710 26.090 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 54.120 2.062 -0.976 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 53.264 2.032 -0.548 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 54.110 2.879 -1.475 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 59.185 81.490 -12.360 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 59.603 80.741 -11.935 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 58.247 81.338 -12.245 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 80.236 35.878 -14.373 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 81.144 36.182 -14.391 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 80.130 35.492 -13.503 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 46.322 51.777 25.355 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 46.260 50.877 25.036 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 46.875 52.222 24.713 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 80.089 84.119 -18.313 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 79.911 84.304 -19.235 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 80.786 83.463 -18.331 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 57.806 29.257 50.951 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 57.556 29.924 50.312 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 58.282 29.739 51.627 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 63.941 5.124 43.298 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 63.481 5.836 42.854 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 63.649 4.331 42.848 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 79.552 63.589 8.434 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 79.976 63.169 7.686 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 79.964 63.188 9.200 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 61.997 42.402 0.802 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 61.457 43.180 0.942 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 61.393 41.668 0.909 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 88.304 60.938 -17.108 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 88.165 61.767 -17.568 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 88.855 61.169 -16.360 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 20.374 81.801 60.210 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 19.686 81.202 60.499 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 21.182 81.428 60.563 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 29.826 14.775 60.985 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 29.056 14.312 61.314 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 30.482 14.670 61.674 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 83.514 38.001 35.147 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 82.725 38.425 34.810 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 83.438 37.090 34.860 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 34.185 10.974 17.227 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 33.636 11.529 16.673 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 34.595 11.581 17.843 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 72.517 24.027 -1.689 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 72.861 24.815 -2.109 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 73.172 23.802 -1.028 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 54.560 54.848 -11.440 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 53.655 54.825 -11.130 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 54.991 55.488 -10.875 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 36.601 85.397 19.421 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 37.542 85.276 19.290 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 36.500 85.490 20.368 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 61.478 77.490 39.869 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 61.301 78.028 40.641 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 60.612 77.261 39.533 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 32.751 66.273 24.446 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 33.088 65.377 24.467 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 33.427 66.794 24.877 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 28.221 93.725 66.254 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 28.256 93.366 67.140 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 28.663 94.571 66.320 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 88.703 86.157 56.197 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 89.161 86.841 55.708 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 88.088 86.632 56.755 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 89.441 88.272 -11.623 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 90.144 87.685 -11.902 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 88.751 87.687 -11.310 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 70.000 34.402 15.435 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 69.222 34.210 14.911 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 69.783 34.085 16.312 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 76.880 41.588 36.183 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 76.275 41.653 35.445 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 76.854 42.454 36.592 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 74.186 75.516 -5.111 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 74.665 76.152 -4.580 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 73.545 75.136 -4.510 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 70.956 74.994 52.849 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 71.795 74.543 52.939 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 70.911 75.236 51.924 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 22.974 71.684 46.524 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 23.360 72.535 46.315 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 22.029 71.834 46.489 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 65.574 94.673 30.133 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 65.419 93.934 29.544 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 65.750 94.270 30.983 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 87.617 59.831 -11.547 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 88.158 59.074 -11.323 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 88.240 60.551 -11.648 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 24.711 68.415 11.316 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 25.217 68.208 12.102 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 24.359 69.290 11.481 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 69.534 87.207 66.029 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 69.084 87.659 66.743 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 70.154 86.625 66.468 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 30.623 33.613 13.360 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 30.949 33.536 12.464 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 31.390 33.865 13.874 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 33.109 5.190 35.473 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 33.411 5.489 36.330 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 33.912 5.022 34.980 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 44.958 49.787 45.016 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 44.155 49.651 44.512 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 45.139 50.723 44.932 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 88.417 39.390 8.767 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 88.503 39.893 9.577 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 88.660 38.497 9.012 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 34.935 32.409 57.523 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 35.571 31.726 57.734 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 34.142 32.154 57.994 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 29.547 85.939 23.664 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 30.087 85.357 23.129 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 29.714 86.813 23.311 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 59.783 18.753 34.542 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 60.321 18.702 33.752 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 59.749 19.687 34.749 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 28.931 55.004 -1.425 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 29.702 54.548 -1.763 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 29.273 55.825 -1.072 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 74.500 56.884 56.913 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 73.812 56.721 56.267 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 75.271 57.106 56.391 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 24.423 0.495 7.400 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 24.161 0.805 6.533 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 23.599 0.292 7.842 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 56.797 71.756 -12.325 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 56.004 71.346 -12.670 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 56.789 71.547 -11.391 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 84.205 86.769 22.970 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 83.814 86.901 22.106 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 85.120 86.552 22.788 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 43.305 8.213 43.621 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 44.023 8.122 42.994 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 42.989 7.320 43.755 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 74.888 42.722 3.875 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 74.277 43.459 3.850 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 74.340 41.963 4.071 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 66.706 23.184 -4.916 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 66.901 23.866 -4.273 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 67.439 23.217 -5.531 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 89.713 64.556 23.460 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 89.906 63.958 24.183 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 88.767 64.482 23.334 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 64.228 43.432 38.515 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 63.340 43.790 38.493 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 64.482 43.363 37.594 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 72.235 52.630 -18.149 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 71.813 52.007 -17.558 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 71.739 53.441 -18.037 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 77.929 69.049 25.610 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 77.824 68.601 24.771 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 77.699 69.960 25.426 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 82.974 37.055 59.645 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 82.617 37.284 60.503 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 83.916 37.204 59.730 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 81.343 35.151 55.352 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 81.260 35.615 54.519 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 81.490 35.841 55.998 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 90.779 69.751 63.390 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 90.829 69.936 62.452 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 89.968 69.253 63.494 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 25.148 62.696 43.709 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 26.003 62.676 43.279 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 24.775 63.542 43.463 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 54.192 1.847 62.958 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 54.229 1.320 63.756 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 55.102 1.905 62.666 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 36.945 84.274 28.425 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 36.318 84.085 29.123 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 37.107 83.427 28.011 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 33.488 31.578 28.654 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 34.076 31.750 29.389 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 32.688 32.058 28.868 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 69.154 47.253 14.004 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 68.423 47.703 14.427 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 68.740 46.589 13.453 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 48.511 42.897 -1.642 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 48.665 43.452 -2.407 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 49.381 42.763 -1.265 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 77.799 67.184 -18.745 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 77.341 66.604 -18.136 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 77.442 66.960 -19.604 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 85.231 47.394 38.304 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 85.043 46.800 37.578 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 84.389 47.508 38.745 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 46.620 89.809 -4.823 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 47.267 90.223 -5.393 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 46.880 90.066 -3.938 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 63.267 49.426 30.516 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 62.441 49.534 30.044 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 63.871 50.029 30.083 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 37.613 48.427 46.632 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 38.432 48.850 46.375 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 37.050 49.148 46.915 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 43.163 41.799 23.081 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 43.422 41.024 23.579 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 43.982 42.137 22.718 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 73.203 69.946 1.733 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 73.042 70.857 1.979 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 72.767 69.433 2.414 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 29.734 4.893 8.166 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 29.996 5.785 8.391 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 30.261 4.336 8.739 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 50.623 86.500 4.259 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 50.072 86.794 4.984 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 50.866 85.604 4.490 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 79.456 79.178 64.286 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 79.280 79.173 65.226 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 79.583 78.257 64.060 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 24.930 59.289 54.953 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 25.655 59.185 55.569 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 25.164 60.058 54.434 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 69.791 51.148 -2.418 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 70.335 51.922 -2.563 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 69.494 51.230 -1.512 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 34.037 46.468 48.677 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 34.559 45.741 48.337 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 34.646 47.206 48.710 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 87.702 84.045 -18.725 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 88.337 84.760 -18.758 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 88.048 83.388 -19.329 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 40.231 14.557 -15.654 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 40.348 13.929 -14.941 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 41.113 14.695 -15.999 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 81.479 65.415 50.827 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 82.066 66.147 51.017 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 82.004 64.820 50.291 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 24.782 8.632 48.420 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 24.774 9.277 47.713 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 25.711 8.465 48.580 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 70.013 46.560 6.221 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 69.261 46.911 5.744 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 69.628 46.006 6.901 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 70.349 30.563 4.106 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 71.280 30.344 4.073 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 70.238 31.242 3.441 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 30.964 96.604 19.507 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 30.677 96.548 18.596 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 31.734 97.172 19.482 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 35.763 94.771 21.679 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 35.213 95.555 21.668 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 35.151 94.051 21.831 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 43.268 41.418 12.876 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 44.116 40.994 13.007 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 43.139 41.945 13.665 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 37.303 76.800 66.640 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 37.656 77.599 67.032 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 37.626 76.095 67.201 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 58.992 96.227 44.189 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 58.924 95.740 43.368 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 59.206 97.121 43.921 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 63.430 31.293 -13.893 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 62.716 31.174 -13.267 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 64.066 31.839 -13.432 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 74.617 87.175 -10.437 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 74.138 86.548 -10.979 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 75.524 86.866 -10.458 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 20.013 30.051 30.345 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 20.138 30.011 31.293 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 20.897 30.145 29.990 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 35.483 33.991 35.068 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 36.350 34.149 35.442 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 35.218 34.837 34.709 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 43.279 36.849 20.402 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 42.959 36.660 21.284 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 44.153 36.458 20.374 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 29.442 17.334 39.955 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 29.282 16.401 40.100 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 28.853 17.776 40.566 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 88.553 6.406 64.241 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 87.816 6.501 63.638 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 88.740 7.297 64.535 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 72.589 53.635 50.824 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 72.479 54.329 51.474 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 71.796 53.105 50.901 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 44.308 9.983 3.555 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 43.540 10.542 3.671 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 44.640 9.844 4.442 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 34.900 20.457 34.534 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 34.140 20.606 35.097 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 34.561 19.936 33.807 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 64.811 0.582 -6.919 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 65.732 0.399 -7.107 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 64.808 1.479 -6.585 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 74.449 49.522 56.606 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 74.978 50.076 56.032 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 74.169 48.797 56.048 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 22.709 20.012 54.217 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 22.414 19.371 53.570 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 23.154 19.491 54.885 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 74.098 16.625 45.469 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 74.393 16.808 46.361 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 73.400 15.978 45.576 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 48.683 23.338 19.969 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 47.933 23.018 19.467 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 48.791 24.246 19.686 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 76.013 37.615 -16.695 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 76.551 36.863 -16.447 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 76.578 38.374 -16.547 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 90.139 41.856 37.942 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 89.675 42.378 37.288 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 89.870 42.229 38.782 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 35.734 54.105 39.083 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 35.234 54.084 38.267 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 35.565 54.974 39.446 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 42.250 91.562 44.566 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 42.623 91.467 43.690 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 42.785 92.237 44.983 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 75.065 66.620 -12.735 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 74.324 66.129 -12.381 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 75.481 67.014 -11.968 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 88.833 81.577 44.604 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 87.937 81.689 44.924 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 89.167 82.470 44.512 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 60.166 94.532 23.934 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 59.218 94.446 24.027 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 60.490 93.631 23.938 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 39.610 17.470 15.770 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 39.767 18.006 16.548 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 40.086 17.916 15.070 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 68.195 91.851 45.026 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 67.807 91.436 44.256 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 68.479 92.712 44.718 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 81.851 61.046 4.758 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 80.993 61.199 5.152 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 81.692 61.080 3.814 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 90.333 18.163 37.662 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 90.175 19.107 37.683 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 89.478 17.781 37.463 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 90.312 89.128 21.663 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 91.111 89.384 22.124 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 90.607 88.499 21.004 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 46.244 21.294 49.845 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 46.250 21.682 48.971 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 46.073 20.364 49.694 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 55.088 45.129 44.866 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 54.680 45.326 44.023 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 56.020 45.045 44.668 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 59.796 95.182 -0.806 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 59.559 95.616 0.013 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 60.297 95.839 -1.289 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 58.118 34.301 40.015 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 57.564 34.936 39.560 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 59.008 34.515 39.734 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 45.696 38.982 19.734 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 45.544 39.606 19.024 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 46.580 39.179 20.041 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 45.793 65.051 50.885 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 45.907 65.781 50.277 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 46.139 64.292 50.416 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 61.320 77.551 33.948 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 61.741 76.874 34.477 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 60.430 77.227 33.808 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 52.066 87.227 8.849 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 52.437 86.404 8.530 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 51.210 86.984 9.202 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 45.357 45.933 32.100 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 44.704 46.181 31.445 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 45.976 45.380 31.624 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 70.015 51.643 40.786 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 70.083 52.238 40.040 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 69.090 51.667 41.030 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 70.880 81.401 50.568 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 70.593 80.678 51.125 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 71.476 80.996 49.937 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 59.129 55.024 0.185 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 59.728 55.764 0.286 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 59.195 54.547 1.013 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 29.366 73.702 -3.701 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 29.923 73.889 -2.945 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 29.642 72.833 -3.994 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 26.596 21.058 28.676 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 26.964 20.789 27.834 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 26.963 20.439 29.307 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 86.425 51.058 -18.896 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 85.813 50.987 -18.163 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 86.091 50.441 -19.547 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 84.231 96.184 -19.746 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 84.959 96.748 -19.484 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 83.451 96.722 -19.614 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 32.024 76.252 48.120 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 32.928 76.326 47.812 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 31.509 76.730 47.469 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 86.171 76.249 18.748 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 86.936 76.751 18.468 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 85.446 76.873 18.706 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 64.223 22.801 20.640 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 63.478 22.243 20.863 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 63.985 23.195 19.800 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 83.630 6.181 56.329 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 83.336 6.484 57.188 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 84.578 6.079 56.422 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 33.711 52.342 -16.964 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 33.761 51.389 -16.889 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 33.847 52.660 -16.072 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 34.738 29.573 -17.670 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 34.056 30.227 -17.517 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 35.458 30.065 -18.064 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 31.566 47.393 63.851 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 32.249 46.912 63.383 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 31.455 46.914 64.672 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 32.952 12.328 33.803 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 32.420 11.671 34.250 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 32.419 13.123 33.823 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 74.521 91.684 -7.886 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 73.941 91.151 -8.429 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 74.118 92.553 -7.885 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 66.964 13.385 -2.581 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 67.121 12.728 -3.259 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 66.011 13.417 -2.494 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 30.386 94.890 37.952 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 29.662 94.808 38.573 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 30.953 94.143 38.145 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 60.996 45.699 35.547 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 60.539 46.462 35.899 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 60.655 45.604 34.658 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 30.344 24.243 7.515 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 30.928 24.271 8.273 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 29.845 25.058 7.567 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 78.030 8.945 -0.766 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 77.557 8.134 -0.583 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 77.959 9.453 0.043 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 56.272 31.520 62.020 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 56.186 32.259 61.417 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 56.272 30.748 61.455 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 40.619 46.914 1.643 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 40.121 46.128 1.416 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 40.282 47.171 2.502 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 69.993 12.483 12.510 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 69.829 13.251 11.963 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 70.902 12.246 12.325 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 65.026 92.159 28.913 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 64.447 91.423 28.713 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 65.761 91.766 29.383 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 63.992 55.739 67.417 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 64.124 55.712 66.470 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 64.491 56.502 67.708 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 89.482 92.290 -7.789 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 90.047 93.026 -7.554 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 89.430 92.323 -8.745 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 77.500 70.566 4.794 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 77.029 69.733 4.779 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 76.996 71.138 4.214 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 37.767 64.459 -19.079 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 37.017 63.866 -19.119 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 37.757 64.917 -19.919 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 45.852 51.945 57.563 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 46.082 52.441 58.349 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 46.525 52.181 56.925 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 70.405 52.841 13.977 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 70.402 51.889 13.874 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 70.328 52.980 14.921 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 74.253 65.830 37.341 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 75.071 65.874 37.835 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 73.807 66.653 37.541 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 38.608 33.094 36.933 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 38.193 32.442 36.369 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 38.903 33.778 36.333 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 54.853 89.774 15.363 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 53.991 89.661 15.765 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 54.963 90.722 15.295 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 38.857 80.865 -18.474 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 39.202 80.002 -18.700 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 39.207 81.043 -17.601 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 50.327 9.287 17.590 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 50.599 10.133 17.947 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 49.559 9.488 17.056 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 24.718 32.832 -2.536 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 25.202 32.104 -2.927 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 24.402 32.489 -1.700 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 48.349 86.400 32.893 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 47.395 86.323 32.909 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 48.649 85.813 33.587 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 21.781 0.151 8.451 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 21.568 0.863 9.054 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 21.041 -0.453 8.522 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 86.500 25.289 32.173 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 86.600 26.064 31.621 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 85.746 25.486 32.729 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 60.781 21.890 -17.144 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 61.147 21.166 -17.653 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 60.837 22.646 -17.728 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 50.657 21.678 63.873 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 51.001 21.024 63.265 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 50.126 22.257 63.327 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 71.697 57.995 44.388 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 71.187 58.600 43.849 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 72.298 57.575 43.773 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 62.591 22.206 28.632 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 62.628 22.945 29.239 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 61.803 22.361 28.112 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 30.775 70.631 27.105 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 31.229 71.348 27.546 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 31.360 69.880 27.203 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 67.461 49.261 -14.130 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 68.365 48.981 -13.988 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 67.378 50.070 -13.625 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 87.271 70.490 -5.571 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 88.057 70.393 -5.032 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 86.660 69.841 -5.222 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 77.067 68.068 23.299 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 76.910 67.303 22.744 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 76.272 68.150 23.825 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 79.407 74.033 34.385 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 78.926 73.578 33.694 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 80.305 74.088 34.057 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 53.297 27.667 16.907 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 52.471 27.427 17.328 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 53.145 28.547 16.563 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 32.530 28.616 23.568 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 33.403 28.635 23.961 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 32.263 27.698 23.622 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 90.483 16.671 -1.214 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 90.267 16.286 -0.364 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 91.102 17.372 -1.009 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 24.382 83.923 -3.246 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 24.611 82.994 -3.218 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 25.225 84.376 -3.290 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 84.779 82.949 -13.815 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 84.102 82.276 -13.882 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 85.389 82.611 -13.159 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 82.230 11.205 36.299 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 81.784 10.867 37.076 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 82.132 10.513 35.646 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 40.874 52.665 52.486 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 41.816 52.812 52.573 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 40.708 52.725 51.546 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 88.006 30.451 26.747 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 88.377 30.433 25.864 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 88.726 30.177 27.315 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 35.883 68.273 56.320 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 35.279 68.918 55.951 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 35.828 67.525 55.725 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 78.030 79.256 11.221 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 77.795 79.852 11.933 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 78.930 79.493 10.998 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 78.761 45.932 9.594 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 77.999 46.334 10.011 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 79.418 46.627 9.571 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 36.784 20.794 27.885 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 37.108 21.632 28.215 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 36.998 20.805 26.952 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 84.052 1.316 -1.825 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 84.056 2.181 -1.415 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 84.973 1.134 -2.012 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 27.721 76.863 3.833 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 28.480 76.307 3.654 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 27.352 76.511 4.643 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 89.401 72.459 -6.637 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 89.235 71.906 -5.873 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 88.537 72.601 -7.023 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 67.332 40.686 -8.113 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 66.769 39.926 -8.263 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 66.992 41.357 -8.706 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 57.251 64.433 65.079 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 57.008 63.549 65.355 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 56.423 64.843 64.830 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 80.601 78.011 7.630 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 81.121 77.504 8.253 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 80.121 77.354 7.126 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 70.853 51.757 59.805 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 71.112 52.493 59.251 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 70.164 52.111 60.367 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 60.711 25.708 46.669 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 60.715 25.006 46.019 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 61.091 26.459 46.213 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 76.269 18.907 41.188 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 75.598 19.184 41.811 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 77.046 19.411 41.431 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 55.362 91.372 5.266 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 56.098 91.458 4.660 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 55.404 92.161 5.807 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 88.592 91.066 -3.821 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 87.930 90.386 -3.949 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 89.424 90.629 -4.006 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 79.327 1.283 44.450 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 79.554 2.207 44.349 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 80.120 0.811 44.197 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 87.999 95.706 55.350 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 88.033 96.451 55.950 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 87.434 96.000 54.635 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 30.717 27.186 62.905 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 31.202 27.647 63.590 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 30.414 26.381 63.327 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 21.922 38.348 32.088 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 22.544 38.443 32.810 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 22.398 38.659 31.319 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 40.122 11.061 36.928 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 40.915 11.327 36.463 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 39.409 11.273 36.327 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 30.533 86.278 47.601 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 30.177 87.161 47.500 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 29.784 85.700 47.460 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 22.450 6.837 43.552 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 23.147 6.291 43.190 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 22.887 7.655 43.792 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 83.291 86.280 37.683 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 83.809 85.954 36.947 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 82.417 86.418 37.318 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 57.179 90.984 3.074 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 57.322 90.956 2.128 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 57.083 90.066 3.330 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 26.328 41.289 14.625 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 27.124 41.588 15.064 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 26.640 40.846 13.836 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 64.310 63.917 45.905 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 63.742 63.173 46.105 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 64.243 64.021 44.956 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 48.420 36.850 45.511 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 49.005 36.219 45.929 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 48.411 37.600 46.106 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 37.215 5.149 1.384 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 37.570 5.607 2.146 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 36.933 4.300 1.724 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 20.549 34.217 2.169 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 19.612 34.344 2.322 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 20.944 34.274 3.039 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 90.071 45.361 23.904 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 90.779 45.941 23.624 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 89.284 45.905 23.860 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 80.945 34.883 48.675 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 81.516 34.640 49.404 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 81.526 34.911 47.915 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 55.642 10.780 4.090 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 54.888 10.338 4.478 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 56.119 10.086 3.635 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 39.059 37.482 21.806 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 39.612 37.163 22.519 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 39.676 37.767 21.132 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 76.747 25.340 40.423 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 77.070 26.095 39.932 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 75.912 25.123 40.009 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 67.714 16.047 -19.163 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 68.166 16.626 -19.777 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 66.823 15.983 -19.505 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 27.462 48.441 57.169 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 26.959 49.024 57.737 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 27.289 48.760 56.284 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 67.948 36.477 55.199 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 67.385 36.685 55.945 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 68.656 35.951 55.572 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 22.983 1.247 37.138 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 22.400 1.943 37.439 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 23.675 1.211 37.798 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 30.760 27.677 36.439 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 30.060 28.288 36.671 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 31.228 27.526 37.260 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 33.605 65.653 38.157 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 34.026 66.434 37.797 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 34.212 65.340 38.827 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 36.867 55.721 11.100 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 36.873 56.654 10.887 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 37.122 55.682 12.021 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 80.530 54.472 -4.365 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 80.603 55.135 -5.051 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 79.681 54.058 -4.522 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 83.972 26.924 12.094 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 83.248 26.680 11.516 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 84.531 27.484 11.556 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 43.900 73.313 11.027 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 44.049 72.389 10.826 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 44.745 73.733 10.864 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 44.098 83.511 61.857 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 44.655 83.113 62.526 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 43.585 84.166 62.330 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 21.365 78.598 38.138 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 20.557 78.123 37.942 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 22.025 77.914 38.247 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 69.017 45.426 18.978 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 68.150 45.311 18.590 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 69.416 44.557 18.936 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 41.732 70.354 -3.376 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 41.117 71.042 -3.121 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 41.891 69.863 -2.570 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 32.361 26.049 56.325 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 32.122 26.935 56.052 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 33.269 26.124 56.617 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 36.779 -0.014 53.088 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 37.556 -0.473 53.407 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 36.644 0.695 53.717 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 20.238 33.671 29.735 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 20.655 34.492 29.476 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 20.164 33.172 28.922 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 67.913 11.339 37.334 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 67.646 11.162 36.432 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 67.934 12.295 37.394 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 32.602 78.720 57.866 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 32.849 77.902 58.297 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 32.476 78.480 56.948 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 34.353 72.746 57.378 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 34.483 72.922 56.446 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 35.071 72.159 57.614 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 79.571 34.868 13.332 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 80.172 35.613 13.306 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 78.700 35.264 13.375 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 31.224 68.570 9.040 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 31.853 69.240 8.774 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 31.379 68.455 9.978 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 88.792 62.663 -10.656 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 89.432 61.984 -10.443 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 89.003 62.918 -11.554 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 56.497 6.666 13.226 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 56.090 7.518 13.382 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 55.876 6.201 12.666 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 75.798 52.511 26.449 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 74.979 52.920 26.728 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 75.662 52.307 25.524 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 76.487 25.865 47.775 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 75.956 25.200 47.336 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 76.776 25.446 48.585 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 32.821 28.614 47.434 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 32.453 27.903 46.910 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 33.765 28.457 47.421 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 44.128 8.659 63.059 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 44.431 8.999 62.217 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 44.494 7.776 63.107 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 40.042 58.881 3.688 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 39.624 58.932 4.548 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 40.781 58.285 3.816 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 84.288 51.772 40.871 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 85.140 51.637 40.455 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 83.748 51.048 40.554 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 46.044 53.171 35.024 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 45.440 52.487 34.737 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 45.761 53.383 35.913 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 37.977 70.741 59.063 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 37.110 70.507 59.394 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 38.114 71.639 59.364 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 81.619 36.099 22.273 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 81.051 36.236 21.515 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 82.499 36.293 21.950 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 20.892 64.774 -11.527 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 21.753 64.712 -11.115 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 20.852 64.019 -12.115 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 65.557 45.550 56.446 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 65.569 45.092 57.287 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 64.652 45.844 56.346 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 43.379 8.325 56.230 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 43.085 7.690 55.577 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 43.741 7.791 56.937 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 58.644 34.256 -18.371 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 59.182 34.945 -18.760 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 58.119 34.706 -17.709 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 84.617 36.609 48.632 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 84.088 35.953 49.085 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 84.401 37.434 49.067 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 59.340 23.577 48.151 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 58.436 23.269 48.090 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 59.285 24.517 47.979 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 66.003 55.039 21.132 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 65.639 54.652 21.929 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 65.378 54.805 20.445 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 46.218 36.753 -8.697 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 46.391 35.907 -8.283 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 45.273 36.875 -8.608 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 58.298 14.678 14.054 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 57.805 14.833 13.248 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 57.943 15.310 14.678 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 69.121 24.930 39.593 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 69.541 25.727 39.270 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 69.758 24.552 40.199 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 26.480 94.951 63.772 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 26.034 95.774 63.575 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 26.651 94.989 64.713 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 83.553 94.686 62.521 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 82.745 94.534 62.032 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 83.540 94.028 63.217 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 70.798 77.994 19.020 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 71.500 78.128 18.383 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 71.199 77.473 19.715 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 48.634 5.095 30.946 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 48.583 5.467 30.065 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 49.547 5.218 31.206 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 88.014 29.972 -17.745 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 88.299 29.824 -16.843 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 88.450 30.784 -18.004 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 73.979 48.194 63.284 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 74.389 48.824 62.691 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 73.124 48.574 63.484 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 57.788 27.127 18.603 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 57.743 27.783 19.298 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 57.013 26.582 18.737 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 77.476 54.655 53.691 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 77.353 54.681 52.742 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 77.712 53.746 53.878 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 71.430 94.390 46.285 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 72.232 94.764 46.649 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 70.826 94.349 47.026 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 89.777 83.825 62.098 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 90.380 83.380 61.502 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 90.195 83.758 62.956 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 68.829 39.326 32.441 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 69.013 39.150 31.518 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 68.200 40.047 32.427 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 33.393 60.681 18.653 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 34.313 60.582 18.899 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 32.919 60.122 19.268 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 60.078 1.730 1.821 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 60.725 1.046 1.645 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 59.894 1.650 2.757 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 49.030 91.574 10.363 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 49.978 91.652 10.466 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 48.711 91.350 11.237 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 81.135 84.011 38.484 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 81.356 84.904 38.749 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 81.358 83.976 37.553 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 66.004 68.931 18.312 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 65.060 68.846 18.447 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 66.178 68.429 17.517 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 27.546 81.511 51.741 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 28.485 81.686 51.810 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 27.475 80.558 51.798 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 35.831 3.184 24.916 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 35.892 3.769 25.672 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 35.252 3.640 24.306 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 63.889 41.978 -5.686 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 63.739 42.346 -6.557 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 63.338 42.504 -5.106 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 68.778 28.125 9.981 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 69.494 28.617 9.580 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 68.014 28.694 9.886 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 64.686 26.436 47.983 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 64.602 27.170 47.375 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 65.101 26.812 48.759 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 36.186 7.579 40.052 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 36.509 8.367 39.616 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 35.263 7.763 40.230 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 56.058 33.990 57.505 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 55.603 34.824 57.392 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 56.660 33.942 56.762 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 37.573 19.801 34.614 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 36.768 20.260 34.372 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 37.961 20.343 35.301 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 56.463 90.385 60.519 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 57.029 91.049 60.913 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 56.948 89.566 60.620 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 26.454 1.593 50.495 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 27.388 1.421 50.380 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 26.239 1.195 51.338 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 55.544 30.385 -17.017 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 55.527 30.955 -17.786 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 56.448 30.426 -16.707 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 37.524 2.387 37.967 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 36.848 2.950 37.590 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 37.886 1.913 37.218 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 73.158 22.713 36.735 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 73.594 21.915 36.437 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 73.741 23.068 37.407 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 23.149 32.649 65.076 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 23.798 33.248 65.445 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 22.306 33.012 65.349 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 60.529 8.235 12.854 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 60.540 9.100 13.265 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 60.371 8.412 11.927 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 81.223 35.240 52.485 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 81.903 35.859 52.218 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 80.402 35.714 52.352 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 39.265 24.248 58.109 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 39.598 24.016 57.242 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 40.046 24.292 58.662 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 67.794 52.598 21.227 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 67.389 52.616 20.360 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 67.386 53.325 21.698 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 21.588 35.794 28.697 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 21.167 36.454 29.248 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 22.439 36.172 28.476 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 49.938 88.044 54.132 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 50.640 88.591 53.778 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 50.363 87.210 54.335 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 77.523 9.939 59.181 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 77.158 9.697 58.330 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 76.938 9.528 59.818 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 59.909 14.876 11.031 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 60.546 14.304 11.459 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 60.348 15.171 10.233 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 53.652 96.092 28.782 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 53.032 95.629 28.219 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 54.204 96.586 28.176 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 50.224 4.974 -10.325 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 51.060 4.540 -10.159 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 49.903 4.576 -11.134 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 31.863 39.986 45.386 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 31.807 39.574 44.524 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 31.041 39.752 45.817 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 86.145 78.919 31.534 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 86.459 78.038 31.335 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 85.299 78.782 31.961 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 88.398 68.887 -3.497 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 88.964 68.116 -3.537 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 87.779 68.694 -2.793 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 69.158 83.633 -8.864 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 68.805 83.730 -9.748 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 68.980 82.721 -8.633 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 25.561 49.192 62.847 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 26.077 48.759 63.527 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 24.669 48.871 62.982 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 84.042 15.737 1.991 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 84.976 15.532 1.941 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 84.006 16.584 2.436 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 54.910 66.383 50.662 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 55.314 66.596 49.821 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 55.393 66.909 51.300 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 29.482 66.889 31.699 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 29.264 66.527 30.841 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 30.217 67.479 31.531 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 72.501 5.896 47.032 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 73.286 5.842 47.577 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 71.988 5.124 47.274 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 36.301 25.224 5.070 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 36.401 26.173 5.150 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 37.197 24.889 5.054 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 21.160 91.278 8.908 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 21.224 91.832 9.686 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 20.791 90.455 9.229 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 40.267 12.135 18.436 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 40.472 13.065 18.338 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 40.906 11.689 17.880 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 74.383 64.490 26.686 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 74.087 65.134 26.042 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 73.942 63.679 26.434 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 29.119 20.391 -13.035 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 28.207 20.601 -12.834 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 29.363 19.736 -12.381 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 65.388 33.054 65.739 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 64.436 33.140 65.787 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 65.687 33.891 65.386 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 45.407 45.994 61.584 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 44.932 46.695 62.030 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 46.239 45.931 62.053 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 58.205 5.420 55.599 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 58.020 6.138 54.993 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 57.943 4.632 55.124 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 59.935 32.235 51.448 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 59.751 32.500 50.547 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 59.716 33.004 51.974 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 67.217 47.966 48.968 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 67.360 48.823 48.566 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 67.066 47.377 48.229 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 67.398 28.683 -7.203 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 66.495 28.467 -6.972 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 67.338 29.532 -7.641 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 39.313 43.918 52.370 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 39.602 43.157 51.867 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 39.192 44.607 51.716 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 39.314 49.791 6.264 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 39.790 50.587 6.500 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 38.793 49.583 7.039 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 67.263 29.133 3.351 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 66.603 29.780 3.601 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 68.017 29.334 3.906 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 37.170 67.896 10.348 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 37.587 68.705 10.645 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 37.871 67.244 10.369 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 25.423 79.887 64.240 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 25.557 80.736 64.660 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 25.698 80.021 63.333 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 58.461 75.076 3.777 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 58.147 74.195 3.574 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 58.232 75.207 4.697 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 46.827 37.458 17.329 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 47.642 37.708 17.765 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 46.219 37.273 18.045 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 67.126 7.061 6.002 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 66.640 7.813 6.341 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 66.551 6.312 6.160 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 81.532 37.397 28.396 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 81.583 36.848 29.179 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 80.600 37.590 28.299 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 84.912 48.284 5.048 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 84.867 47.365 5.313 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 84.213 48.711 5.542 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 71.996 83.469 48.815 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 71.647 83.351 47.931 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 71.574 82.784 49.333 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 47.961 81.137 40.445 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 48.471 80.739 39.739 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 47.877 80.445 41.100 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 59.184 77.760 46.968 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 59.534 76.871 47.031 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 59.684 78.261 47.612 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 20.666 92.124 47.451 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 20.589 91.878 48.373 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 20.986 91.332 47.018 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 57.253 81.486 61.978 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 56.691 81.016 61.362 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 57.742 80.798 62.429 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 31.426 64.073 -9.331 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 30.563 63.674 -9.224 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 31.632 64.435 -8.469 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 31.521 84.120 12.851 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 30.886 83.602 12.358 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 31.544 84.965 12.400 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 57.601 43.847 50.908 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 57.206 43.154 51.438 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 58.133 43.381 50.263 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 25.007 27.638 -3.354 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 25.839 28.090 -3.212 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 24.444 28.295 -3.764 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 64.035 58.659 44.776 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 64.464 58.075 45.401 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 63.102 58.578 44.974 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 70.129 88.713 8.669 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 69.408 88.469 9.249 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 70.460 87.881 8.333 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 63.063 41.312 56.578 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 62.668 42.184 56.565 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 62.628 40.841 55.866 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 54.148 61.951 47.614 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 54.953 61.784 48.103 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 54.273 61.493 46.782 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 48.437 39.047 5.829 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 49.370 39.171 5.657 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 48.234 39.678 6.521 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 22.363 13.736 53.233 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 22.287 13.634 54.182 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 21.518 14.096 52.963 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 31.128 80.477 11.743 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 31.059 81.430 11.683 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 31.984 80.324 12.145 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 21.676 75.292 -6.944 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 22.098 74.434 -6.999 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 21.508 75.417 -6.010 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 90.600 72.801 40.379 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 89.902 73.045 40.986 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 90.637 71.846 40.426 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 62.016 86.007 -6.561 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 61.788 86.586 -5.835 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 62.723 86.462 -7.019 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 55.987 26.049 -13.206 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 56.134 26.842 -13.720 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 55.054 25.864 -13.311 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 36.611 32.852 67.039 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 36.189 32.679 66.197 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 36.464 33.784 67.194 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 82.697 63.180 15.133 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 83.177 63.827 14.615 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 82.748 63.506 16.031 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 48.344 1.851 19.163 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 49.151 2.090 18.707 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 47.854 2.670 19.231 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 72.207 47.189 -17.895 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 72.243 47.160 -18.851 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 72.283 48.119 -17.680 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 42.296 85.688 49.869 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 42.069 86.442 49.325 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 41.802 84.961 49.490 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 59.273 9.814 67.066 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 59.913 10.247 66.502 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 58.757 9.271 66.470 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 76.768 54.824 6.213 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 77.459 54.720 6.867 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 76.200 55.505 6.571 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 81.168 55.813 12.235 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 80.254 55.678 12.484 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 81.513 56.407 12.902 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 31.806 65.274 -7.123 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 31.814 66.216 -7.291 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 31.995 65.195 -6.188 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 74.320 43.179 54.931 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 73.755 42.671 55.514 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 73.771 43.906 54.638 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 79.335 33.385 33.225 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 78.427 33.264 33.503 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 79.533 34.296 33.442 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 31.385 36.949 12.087 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 32.223 37.392 12.220 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 31.617 36.110 11.690 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 55.361 53.892 3.043 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 55.932 54.660 3.057 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 54.523 54.209 3.382 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 42.498 16.578 -1.284 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 42.970 17.334 -0.936 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 42.857 15.830 -0.805 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 89.966 60.501 -2.302 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 89.655 59.684 -2.691 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 90.919 60.451 -2.369 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 25.154 9.006 33.589 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 24.197 9.027 33.575 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 25.411 9.148 32.678 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 54.789 91.983 -10.342 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 54.711 91.376 -9.606 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 54.653 91.439 -11.117 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 28.457 60.529 -5.916 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 28.867 61.313 -5.550 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 28.412 59.917 -5.182 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 30.243 91.784 -12.921 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 29.511 91.399 -12.439 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 30.788 91.037 -13.167 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 62.650 80.256 20.922 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 62.887 79.630 20.238 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 62.453 81.065 20.449 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 79.538 16.269 58.206 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 80.087 15.998 57.470 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 79.638 15.569 58.851 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 85.481 67.902 -7.594 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 84.762 67.453 -8.040 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 85.589 68.721 -8.076 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 64.881 83.254 28.622 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 64.156 83.370 28.008 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 65.469 82.638 28.186 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 39.207 92.128 44.346 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 38.829 92.541 45.123 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 39.988 91.680 44.669 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 41.141 6.100 18.270 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 41.006 6.937 18.715 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 40.498 5.511 18.665 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 80.826 36.617 66.417 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 80.173 37.270 66.166 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 81.589 37.131 66.682 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 64.917 43.265 8.197 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 64.663 42.381 8.461 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 64.834 43.788 8.995 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 28.104 26.518 -8.263 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 27.514 26.938 -7.637 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 28.913 26.377 -7.772 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 60.421 12.804 40.960 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 61.199 13.317 40.738 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 59.686 13.380 40.751 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 76.711 39.706 -9.537 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 77.246 38.913 -9.550 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 77.343 40.423 -9.573 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 69.001 20.420 51.063 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 68.302 20.991 51.381 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 68.698 19.535 51.265 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 32.044 52.928 2.709 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 32.298 52.015 2.572 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 32.731 53.436 2.278 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 37.700 37.655 59.461 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 38.050 36.890 59.917 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 38.462 38.053 59.040 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 21.540 36.188 -4.902 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 21.617 36.608 -4.045 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 20.616 35.948 -4.969 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 37.689 41.372 -1.802 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 37.094 40.623 -1.826 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 37.860 41.572 -2.723 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 51.795 14.986 33.776 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 51.490 14.312 34.383 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 52.613 15.301 34.159 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 21.186 37.524 35.668 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 20.845 37.505 34.773 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 20.687 38.217 36.100 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 59.986 60.999 39.207 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 59.213 61.492 38.935 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 59.780 60.090 38.989 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 76.336 37.353 42.411 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 75.787 37.458 41.633 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 77.091 37.919 42.250 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 21.112 62.711 60.128 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 21.981 62.529 59.770 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 20.524 62.140 59.634 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 41.432 7.923 41.565 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 40.576 7.940 41.994 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 41.983 8.487 42.106 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 49.960 15.562 -10.679 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 49.277 16.153 -10.361 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 50.341 15.188 -9.885 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 78.508 81.077 17.394 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 78.828 81.437 18.221 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 79.288 81.015 16.842 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 33.223 61.285 28.861 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 33.421 60.400 28.555 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 33.718 61.858 28.276 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 47.613 31.338 -15.112 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 48.187 31.549 -14.375 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 47.603 30.382 -15.143 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 74.617 54.847 40.320 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 74.002 55.579 40.285 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 75.479 55.260 40.371 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 34.442 72.950 60.215 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 34.735 73.448 59.452 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 34.619 72.037 59.988 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 35.114 71.017 44.997 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 35.968 71.113 44.575 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 35.254 70.357 45.676 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 32.879 22.107 12.131 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 33.539 21.499 12.465 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 33.105 22.224 11.208 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 30.001 63.662 -17.847 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 30.096 64.318 -18.538 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 30.615 63.938 -17.167 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 38.529 18.089 6.548 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 38.163 17.503 5.885 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 38.422 18.966 6.180 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 72.463 50.839 5.993 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 71.680 51.279 5.661 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 73.015 51.548 6.323 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 33.305 36.900 35.117 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 32.798 36.370 34.502 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 33.004 37.796 34.967 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 75.168 9.140 62.888 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 74.485 8.668 63.364 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 75.063 10.052 63.158 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 43.114 33.704 -0.016 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 42.749 33.444 0.829 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 43.993 34.022 0.189 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 50.825 60.344 -17.349 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 51.395 60.984 -16.921 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 50.995 60.459 -18.284 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 67.769 45.128 31.652 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 67.213 44.575 31.103 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 67.616 46.016 31.328 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 42.432 63.195 38.072 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 42.842 63.534 38.867 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 43.074 63.360 37.382 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 80.900 87.749 8.666 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 81.641 88.044 8.136 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 80.138 87.862 8.097 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 85.156 17.690 -15.146 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 85.766 17.689 -14.408 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 84.329 17.384 -14.773 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 37.491 10.377 16.173 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 37.897 11.230 16.326 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 36.550 10.549 16.208 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 78.695 34.278 56.037 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 79.529 34.599 55.692 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 78.247 33.910 55.275 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 80.950 63.272 3.040 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 81.457 62.855 3.736 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 81.606 63.563 2.406 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 84.902 36.592 -11.425 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 84.703 36.647 -12.360 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 85.117 37.490 -11.173 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 86.262 35.614 4.125 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 86.261 35.730 5.075 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 86.658 36.417 3.786 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 34.157 62.529 33.505 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 34.733 61.808 33.759 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 34.720 63.303 33.522 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 65.645 71.837 -5.942 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 65.242 72.203 -6.729 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 64.959 71.295 -5.551 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 67.932 50.696 13.846 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 67.007 50.761 13.608 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 67.995 51.145 14.688 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 25.835 6.515 34.659 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 26.779 6.674 34.656 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 25.445 7.381 34.537 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 75.002 22.293 57.320 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 75.587 22.869 57.812 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 75.422 22.199 56.465 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 28.746 1.302 19.017 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 29.000 1.048 19.904 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 27.792 1.233 19.011 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 36.332 22.792 -12.593 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 35.619 22.670 -11.966 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 36.445 23.741 -12.647 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 37.223 82.811 -2.531 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 36.583 82.504 -3.174 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 37.802 83.390 -3.028 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 33.301 8.115 -0.696 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 33.285 9.064 -0.573 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 34.229 7.884 -0.657 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 47.156 83.941 13.143 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 47.909 84.445 13.452 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 47.285 83.066 13.510 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 83.577 43.228 6.024 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 83.744 42.736 5.221 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 83.929 42.677 6.722 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 22.936 51.484 33.168 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 22.149 51.939 32.870 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 23.221 50.975 32.409 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 68.172 6.384 52.552 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 68.132 6.459 51.598 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 68.078 7.283 52.867 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 56.771 87.521 61.173 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 56.916 86.840 60.516 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 56.050 87.189 61.707 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 69.243 90.162 22.325 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 69.395 90.107 21.382 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 70.014 89.752 22.717 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 29.570 49.129 0.475 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 30.268 49.015 1.121 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 29.907 48.711 -0.318 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 35.555 17.010 46.727 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 36.452 17.027 47.060 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 35.639 17.239 45.801 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 46.839 63.768 13.372 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 47.032 63.555 14.285 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 47.564 64.330 13.098 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 73.218 41.199 36.068 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 72.464 40.903 35.560 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 72.925 42.011 36.483 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 57.763 48.020 64.524 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 57.843 48.347 63.629 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 56.919 48.356 64.828 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 65.817 16.159 -13.341 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 66.327 16.796 -12.841 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 65.415 16.671 -14.043 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 48.035 34.498 -10.112 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 47.381 34.179 -10.733 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 48.191 33.757 -9.526 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 87.138 90.898 -7.234 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 87.951 91.402 -7.201 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 87.219 90.263 -6.522 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 68.134 49.256 51.253 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 68.478 50.048 50.840 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 67.734 48.765 50.535 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 40.169 29.096 -16.844 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 40.963 28.593 -17.026 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 39.517 28.438 -16.604 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 22.132 92.879 -14.336 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 21.229 92.874 -14.653 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 22.110 92.343 -13.544 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 49.736 8.873 31.478 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 50.628 8.968 31.814 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 49.462 9.766 31.270 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 21.484 41.714 -3.473 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 21.059 42.390 -2.944 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 21.511 40.945 -2.903 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 20.972 41.266 -17.409 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 21.048 42.179 -17.131 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 21.849 40.903 -17.284 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 25.771 33.204 -9.718 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 26.001 33.592 -10.563 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 25.862 32.261 -9.855 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 38.633 6.542 38.697 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 37.769 6.829 38.990 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 39.175 7.330 38.739 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 75.944 2.237 -7.938 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 76.053 1.412 -7.465 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 76.759 2.714 -7.779 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 81.744 34.358 -17.669 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 82.172 33.921 -16.933 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 81.686 35.275 -17.402 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 74.791 9.134 36.262 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 74.358 8.282 36.205 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 74.095 9.769 36.092 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 82.835 74.846 15.934 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 83.711 74.522 16.145 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 82.243 74.269 16.416 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 88.883 48.518 26.081 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 88.137 48.601 25.486 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 88.524 48.090 26.858 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 57.841 15.182 60.881 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 57.815 15.197 61.838 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 57.241 14.477 60.636 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 27.040 57.904 67.562 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 27.481 58.242 66.782 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 26.107 57.980 67.361 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 21.406 72.305 43.260 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 21.721 72.880 42.563 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 20.940 72.888 43.861 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 24.673 37.785 45.401 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 25.434 38.309 45.651 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 23.921 38.335 45.618 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 78.400 6.943 9.319 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 78.204 7.849 9.078 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 78.671 6.992 10.235 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 65.455 65.269 -0.634 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 64.923 65.026 0.124 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 65.755 66.158 -0.442 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 89.303 96.414 46.751 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 88.904 96.479 47.618 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 89.023 97.210 46.298 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 42.226 94.065 60.433 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 41.692 94.213 61.214 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 41.745 94.497 59.728 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 52.779 12.420 24.991 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 52.421 12.382 24.104 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 52.776 11.511 25.290 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 35.282 73.598 -17.634 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 35.002 72.740 -17.314 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 35.220 73.530 -18.587 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 30.018 6.238 -2.033 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 29.702 6.877 -1.396 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 30.647 5.704 -1.547 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 51.470 59.840 -12.577 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 50.943 59.786 -11.780 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 52.372 59.906 -12.263 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 79.644 60.409 39.714 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 79.362 61.292 39.478 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 80.600 60.462 39.744 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 30.640 78.328 49.913 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 29.701 78.248 49.745 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 30.992 77.456 49.732 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 79.772 89.480 55.356 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 79.509 88.566 55.468 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 80.634 89.432 54.942 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 57.258 40.655 64.005 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 57.707 40.837 63.180 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 56.689 41.412 64.141 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 73.951 42.435 45.855 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 74.494 41.842 45.336 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 74.520 42.716 46.572 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 38.929 19.020 56.575 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 39.416 18.369 57.080 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 39.091 18.786 55.661 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 79.107 55.304 -19.664 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 78.963 55.870 -18.906 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 78.544 54.546 -19.508 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 30.843 88.685 44.586 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 30.688 87.836 44.172 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 31.310 89.193 43.924 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 64.124 88.275 49.293 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 63.259 88.158 48.899 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 64.615 87.497 49.028 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 73.790 28.468 27.961 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 73.925 27.657 28.452 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 74.259 28.330 27.137 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 44.765 23.208 38.808 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 43.892 23.230 39.199 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 45.362 23.317 39.549 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 35.955 15.396 55.162 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 36.431 16.083 55.627 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 35.324 15.867 54.617 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 69.823 15.723 46.579 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 70.490 16.408 46.605 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 69.556 15.683 45.660 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 59.588 54.003 59.063 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 59.685 54.952 58.981 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 58.854 53.785 58.489 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 20.505 67.135 4.784 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 19.767 66.687 5.197 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 21.130 66.437 4.588 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 61.762 92.384 52.127 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 62.593 92.081 52.494 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 61.434 91.637 51.627 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 35.188 3.865 34.294 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 35.199 3.378 33.470 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 35.795 3.390 34.862 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 64.617 41.409 48.444 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 65.106 41.474 49.264 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 64.918 40.591 48.048 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 63.903 36.257 2.377 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 62.992 36.013 2.210 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 63.931 36.459 3.312 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 88.437 50.698 -16.202 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 88.451 49.981 -16.836 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 88.935 51.399 -16.622 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 38.053 30.232 -3.274 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 37.795 30.526 -4.148 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 38.432 31.008 -2.862 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 21.038 15.285 66.602 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 21.327 15.078 67.490 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 20.923 16.236 66.603 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 43.222 96.044 -8.566 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 43.068 95.327 -9.182 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 43.811 95.674 -7.909 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 82.093 49.453 53.559 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 81.725 50.328 53.441 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 82.898 49.459 53.042 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 51.467 78.504 -17.821 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 50.987 77.721 -18.090 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 50.891 78.932 -17.187 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 51.615 39.723 62.761 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 51.411 40.383 62.098 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 52.202 40.170 63.371 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 83.092 77.451 58.812 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 82.814 78.286 58.435 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 83.399 76.940 58.064 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 85.976 94.540 -4.370 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 85.992 95.006 -5.205 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 85.167 94.029 -4.395 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 33.558 16.030 -18.313 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 33.411 16.536 -19.112 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 34.067 16.614 -17.750 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 86.413 8.630 51.365 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 86.151 9.528 51.568 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 86.208 8.525 50.436 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 75.102 29.788 45.988 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 75.861 29.630 45.426 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 74.550 30.385 45.483 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 72.412 82.207 -4.426 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 71.946 82.782 -3.819 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 71.779 81.521 -4.640 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 62.758 27.557 -9.304 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 63.360 27.591 -10.047 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 62.121 28.250 -9.480 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 56.198 10.377 -10.345 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 55.982 11.238 -10.703 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 56.932 10.072 -10.879 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 25.127 3.249 54.398 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 26.009 3.472 54.098 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 24.835 2.564 53.796 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 75.818 11.305 8.956 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 75.395 11.703 8.196 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 75.486 11.803 9.704 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 71.118 38.655 14.136 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 71.270 39.574 14.358 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 71.873 38.193 14.499 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 71.518 47.304 56.648 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 71.208 47.229 55.746 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 71.479 48.241 56.838 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 30.394 10.127 -13.522 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 30.420 9.382 -14.122 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 29.516 10.493 -13.631 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 44.897 15.716 60.726 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 45.437 15.451 59.981 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 44.542 14.896 61.068 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 50.185 85.985 51.156 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 49.366 86.076 51.642 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 50.837 85.768 51.823 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 54.392 24.699 35.876 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 53.942 25.094 35.129 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 54.894 25.417 36.262 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 58.276 55.866 -2.278 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 58.670 55.471 -1.501 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 57.338 55.700 -2.182 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 81.643 72.707 54.425 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 81.123 71.974 54.094 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 81.240 73.482 54.034 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 53.081 74.301 -16.052 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 54.010 74.525 -16.088 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 53.036 73.557 -15.451 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 78.895 75.551 30.764 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 79.318 74.837 30.287 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 79.576 75.887 31.347 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 67.536 4.728 59.860 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 67.110 4.076 59.303 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 66.865 5.396 60.004 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 35.148 26.635 -10.680 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 34.782 26.057 -11.349 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 34.843 26.266 -9.851 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 38.674 20.252 2.366 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 39.519 19.875 2.119 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 38.713 20.323 3.320 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 32.442 78.864 22.972 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 32.281 78.601 23.878 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 32.307 78.065 22.463 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 71.705 53.763 57.704 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 71.206 54.560 57.883 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 71.174 53.285 57.066 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 82.399 6.670 37.712 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 82.721 6.004 38.319 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 82.290 6.206 36.882 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 21.637 71.663 66.042 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 20.849 71.125 65.965 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 21.530 72.128 66.872 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 80.425 81.144 43.335 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 81.030 81.703 43.822 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 80.990 80.531 42.865 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 20.956 64.371 56.394 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 21.832 63.995 56.299 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 21.042 64.998 57.112 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 89.987 81.437 27.480 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 89.335 81.843 26.908 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 90.404 82.172 27.929 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 35.705 60.118 53.535 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 35.096 60.845 53.664 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 36.280 60.408 52.828 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 59.593 68.096 -16.458 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 58.931 67.537 -16.866 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 60.292 67.494 -16.203 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 70.283 37.639 59.845 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 69.549 38.205 60.083 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 70.258 37.602 58.889 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 71.674 9.194 -16.509 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 71.225 9.772 -15.892 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 71.012 8.986 -17.169 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 21.772 76.146 43.918 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 21.117 75.464 44.070 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 22.081 75.987 43.026 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 54.322 8.676 -1.095 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 54.966 8.231 -1.646 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 54.714 8.679 -0.222 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 21.104 59.944 -8.343 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 21.234 59.425 -9.137 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 21.578 60.759 -8.509 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 68.590 87.742 28.094 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 67.711 88.118 28.050 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 68.590 87.053 27.429 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 59.329 57.998 -14.383 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 58.403 57.771 -14.301 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 59.702 57.297 -14.918 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 58.760 37.715 64.691 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 58.135 36.992 64.634 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 58.319 38.372 65.229 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 43.587 73.234 48.727 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 42.669 73.135 48.982 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 43.715 72.584 48.036 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 67.825 86.498 6.922 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 67.595 87.425 6.852 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 67.126 86.116 7.451 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 76.570 50.869 54.595 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 76.440 51.717 55.020 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 77.300 51.012 53.992 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 36.759 42.032 6.881 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 37.581 41.633 7.165 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 36.447 42.513 7.647 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 53.455 29.772 63.520 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 52.803 29.391 62.932 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 54.101 29.076 63.645 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 21.804 96.798 2.188 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 21.994 95.928 2.539 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 20.851 96.818 2.100 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 26.087 48.103 18.034 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 26.929 48.048 18.486 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 25.933 49.042 17.926 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 64.841 6.662 26.844 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 65.500 6.456 26.181 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 64.107 7.026 26.348 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 46.360 76.706 62.883 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 45.670 76.108 63.171 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 46.007 77.580 63.052 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 44.258 19.575 41.977 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 45.102 19.244 41.670 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 43.613 19.153 41.409 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 52.490 72.235 25.977 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 51.926 72.598 25.295 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 53.079 71.641 25.510 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 28.763 91.119 31.880 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 28.283 91.000 32.699 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 29.319 91.883 32.036 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 56.058 19.794 27.226 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 56.835 19.521 26.739 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 55.406 19.984 26.551 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 69.517 66.059 15.700 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 69.071 65.230 15.529 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 69.987 66.251 14.888 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 57.058 50.330 -6.656 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 56.708 49.720 -6.007 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 56.382 50.373 -7.333 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 40.669 37.403 19.653 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 41.587 37.286 19.899 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 40.619 37.078 18.754 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 39.551 27.773 58.719 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 40.486 27.942 58.836 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 39.202 27.733 59.609 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 66.237 43.991 65.411 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 66.337 44.165 66.347 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 65.443 43.461 65.349 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 44.067 27.316 -18.758 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 43.553 26.695 -18.241 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 43.795 28.177 -18.438 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 24.673 43.051 32.974 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 25.442 43.591 32.789 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 23.948 43.674 33.020 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 27.139 80.432 16.777 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 27.701 80.144 17.496 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 26.485 80.992 17.194 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 44.069 30.204 -5.958 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 45.015 30.155 -6.097 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 43.880 31.142 -5.929 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 21.455 30.909 63.200 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 20.809 30.465 63.749 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 21.893 31.521 63.793 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 25.676 83.259 38.540 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 25.702 82.999 37.619 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 25.098 82.617 38.954 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 64.168 95.949 2.981 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 64.315 95.040 2.720 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 65.024 96.255 3.280 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 26.304 67.799 2.281 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 25.609 67.590 2.905 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 27.082 67.368 2.635 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 46.146 79.045 59.170 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 45.232 79.098 58.889 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 46.266 78.129 59.424 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 38.819 19.504 -3.021 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 39.626 19.259 -2.570 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 39.060 20.266 -3.548 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 48.485 46.701 7.488 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 48.956 47.450 7.122 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 48.635 46.761 8.432 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 66.337 55.060 58.143 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 66.545 55.899 58.553 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 65.423 55.145 57.872 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 44.040 9.789 22.435 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 44.593 9.316 21.813 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 44.573 9.857 23.227 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 75.177 39.230 64.530 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 75.437 40.096 64.844 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 74.740 38.824 65.279 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 22.030 30.749 56.572 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 22.349 31.604 56.858 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 21.334 30.949 55.945 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 23.315 1.442 56.429 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 23.513 0.528 56.228 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 23.346 1.886 55.581 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 37.162 34.060 41.656 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 36.356 34.226 42.146 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 37.408 34.916 41.304 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 44.504 95.174 39.748 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 45.152 94.910 40.401 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 43.740 94.628 39.935 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 27.018 52.460 -13.650 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 27.021 51.862 -14.398 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 27.062 51.886 -12.885 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 84.876 55.117 41.430 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 85.783 55.359 41.618 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 84.761 55.319 40.502 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 26.807 40.961 50.357 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 26.742 40.652 49.454 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 25.942 41.323 50.550 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 38.352 12.275 -7.050 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 39.129 12.338 -6.494 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 38.688 12.361 -7.942 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 61.394 71.957 67.014 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 60.942 71.500 67.723 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 61.144 72.875 67.123 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 30.648 53.730 31.252 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 31.367 53.823 30.628 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 29.902 54.148 30.822 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 45.161 40.534 42.302 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 44.795 41.213 42.870 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 44.851 40.762 41.425 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 27.099 26.007 17.845 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 27.329 25.243 18.373 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 26.676 26.606 18.460 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 44.471 12.471 -19.042 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 43.542 12.397 -19.260 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 44.522 12.211 -18.122 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 78.679 93.171 17.341 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 79.046 92.588 18.006 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 79.434 93.648 16.997 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 43.793 -0.185 6.646 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 44.087 0.720 6.750 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 44.598 -0.685 6.514 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 47.274 20.053 47.029 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 47.168 21.004 47.034 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 46.989 19.776 47.900 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 83.961 91.627 61.316 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 84.810 91.588 61.757 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 84.043 92.356 60.702 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 86.651 91.798 -11.468 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 87.091 92.591 -11.773 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 86.139 92.083 -10.711 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 76.897 23.141 42.309 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 77.035 24.027 41.974 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 77.452 22.588 41.759 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 68.242 16.521 14.019 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 68.739 15.710 13.913 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 67.918 16.488 14.919 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 62.769 23.891 9.777 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 62.449 23.414 9.011 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 61.987 24.046 10.307 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 41.681 12.381 47.179 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 42.425 11.778 47.206 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 41.973 13.145 47.675 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 29.061 32.516 15.188 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 29.407 32.652 14.306 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 29.501 33.177 15.723 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 83.489 68.435 35.259 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 83.216 68.142 36.128 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 82.676 68.482 34.755 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 71.117 6.667 50.264 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 70.930 7.578 50.037 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 70.859 6.168 49.489 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 37.597 53.473 41.717 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 36.667 53.335 41.537 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 37.962 53.771 40.884 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 45.399 30.689 63.365 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 45.717 30.271 62.564 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 44.786 31.357 63.059 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 36.390 79.154 62.564 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 36.932 79.501 61.856 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 36.552 78.210 62.550 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 21.822 74.126 2.811 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 21.535 73.399 2.258 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 22.309 74.700 2.220 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 62.132 91.392 16.626 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 62.674 90.612 16.504 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 62.155 91.554 17.569 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 70.022 1.088 -7.204 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 69.534 1.743 -6.704 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 70.863 1.506 -7.389 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 76.525 91.019 22.601 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 75.763 91.344 23.081 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 76.999 90.484 23.237 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 42.319 37.426 61.595 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 42.651 36.902 62.324 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 43.087 37.588 61.047 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 55.526 37.032 45.365 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 55.416 37.538 44.560 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 54.932 37.445 45.991 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 86.187 29.055 -0.864 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 86.804 29.649 -1.291 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 86.013 29.460 -0.014 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 76.573 18.730 36.569 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 77.404 18.276 36.708 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 75.936 18.222 37.072 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 70.172 76.506 38.664 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 69.462 76.756 38.072 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 70.962 76.555 38.125 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 58.883 67.052 39.287 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 58.385 66.647 38.577 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 58.705 67.989 39.202 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 53.823 27.059 66.954 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 53.864 26.160 67.281 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 53.085 27.451 67.420 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 21.268 50.008 42.793 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 21.792 50.550 42.204 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 21.126 49.194 42.309 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 60.592 8.498 63.278 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 60.003 8.149 62.609 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 60.390 9.433 63.311 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 38.126 56.753 48.669 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 39.067 56.894 48.565 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 37.751 57.634 48.675 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 78.651 65.006 51.718 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 78.376 64.674 52.573 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 79.421 64.484 51.494 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 74.426 45.973 14.071 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 75.247 46.427 13.884 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 74.273 46.128 15.003 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 55.624 26.138 47.039 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 55.903 25.844 47.906 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 56.341 26.692 46.731 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 29.403 11.015 56.686 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 29.528 11.920 56.400 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 29.670 11.015 57.606 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 44.068 2.279 24.011 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 44.859 2.386 24.539 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 43.954 3.125 23.576 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 22.683 61.260 25.039 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 23.290 61.720 25.619 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 22.301 60.574 25.587 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 75.894 76.357 49.867 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 76.037 75.411 49.856 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 76.303 76.671 49.060 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 43.306 42.753 58.737 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 42.363 42.632 58.848 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 43.505 43.551 59.227 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 77.128 43.971 67.152 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 77.833 44.616 67.212 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 76.340 44.492 66.997 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 77.262 84.669 40.607 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 76.478 84.123 40.557 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 77.864 84.175 41.164 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 34.132 35.066 3.090 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 34.216 34.988 4.040 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 34.212 36.005 2.918 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 84.727 48.827 44.253 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 85.493 49.363 44.459 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 85.072 48.111 43.720 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 35.079 10.597 55.973 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 34.955 10.506 56.918 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 34.310 11.083 55.676 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 84.016 64.962 63.871 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 83.152 65.349 63.732 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 84.561 65.691 64.169 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 40.450 38.238 58.845 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 40.918 39.051 58.653 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 41.025 37.547 58.516 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 23.198 54.050 42.296 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 22.588 54.627 42.756 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 23.889 54.634 41.982 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 90.044 56.021 53.181 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 90.580 56.810 53.262 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 89.451 56.055 53.931 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 26.167 50.084 1.174 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 26.737 50.836 1.010 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 25.318 50.345 0.819 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 75.436 60.544 53.555 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 74.801 60.046 54.069 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 75.801 59.907 52.941 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 70.291 78.556 0.361 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 70.795 79.366 0.283 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 70.041 78.516 1.284 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 82.053 36.459 -8.790 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 81.393 36.999 -8.354 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 81.715 35.566 -8.723 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 34.616 73.680 28.267 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 35.098 73.096 27.680 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 35.251 73.920 28.941 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 78.485 51.884 6.555 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 77.563 52.119 6.455 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 78.475 50.945 6.740 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 21.104 69.597 25.757 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 21.983 69.229 25.675 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 20.522 68.837 25.732 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 44.682 20.548 45.108 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 44.809 20.176 44.235 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 45.567 20.739 45.419 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 61.736 66.860 50.388 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 61.341 67.698 50.630 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 61.020 66.363 49.991 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 25.850 8.597 51.863 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 25.131 7.992 51.681 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 25.848 8.693 52.816 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 31.742 96.640 -6.707 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 31.146 96.249 -7.346 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 31.242 96.653 -5.890 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 20.936 37.072 20.469 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 20.037 37.387 20.556 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 21.473 37.771 20.841 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 72.473 20.387 -4.602 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 73.321 20.052 -4.310 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 72.583 21.338 -4.617 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 76.112 21.546 -3.395 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 75.803 20.643 -3.328 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 76.198 21.838 -2.487 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 61.550 33.915 -4.329 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 61.912 34.170 -3.481 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 62.048 33.137 -4.579 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 79.433 55.381 43.708 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 79.543 56.119 44.307 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 78.546 55.482 43.362 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 38.057 18.984 22.861 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 37.663 18.418 22.197 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 38.894 18.567 23.065 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 59.601 78.973 2.074 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 59.886 78.071 1.927 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 59.697 79.104 3.018 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 71.121 41.001 30.906 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 71.445 40.734 30.045 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 70.259 41.378 30.732 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 79.402 88.722 3.156 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 80.043 88.964 3.825 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 79.121 89.557 2.781 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 45.834 93.386 48.998 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 46.298 94.147 48.647 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 46.395 92.642 48.780 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 58.969 87.241 3.711 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 59.423 87.032 4.527 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 58.275 86.584 3.648 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 78.444 53.499 41.505 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 78.295 54.318 41.032 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 77.571 53.221 41.782 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 48.203 26.865 1.622 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 47.844 27.750 1.560 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 47.866 26.527 2.453 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 43.534 14.589 0.570 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 44.321 14.065 0.723 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 43.324 14.960 1.427 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 33.664 5.695 49.911 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 34.103 6.018 49.123 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 32.950 6.315 50.058 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 34.637 20.159 57.350 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 34.701 20.458 56.443 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 35.508 20.311 57.716 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 52.695 20.993 42.936 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 52.573 20.109 43.282 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 53.245 21.431 43.585 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 73.287 70.788 36.998 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 74.083 71.319 36.971 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 73.492 70.022 36.463 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 49.549 76.764 -18.684 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 48.971 77.366 -18.216 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 49.051 76.507 -19.460 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 34.813 49.712 59.557 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 34.979 50.503 59.043 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 33.926 49.829 59.897 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 68.927 44.993 9.073 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 68.200 44.387 8.929 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 68.730 45.410 9.911 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 59.084 23.127 29.925 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 58.292 22.781 29.514 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 59.721 23.180 29.213 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 34.401 57.762 52.387 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 33.966 58.434 51.861 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 34.950 58.254 52.998 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 73.516 76.940 40.422 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 73.381 77.769 39.963 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 74.461 76.795 40.382 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 21.570 58.167 -10.416 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 21.450 57.359 -9.917 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 22.024 57.892 -11.212 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 60.801 42.476 -7.859 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 61.425 42.878 -7.255 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 59.961 42.521 -7.401 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 81.322 26.012 -0.078 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 81.167 25.366 -0.767 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 81.513 26.823 -0.548 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 65.628 33.821 38.446 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 65.897 34.470 37.796 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 65.628 32.990 37.971 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 88.646 80.697 -11.981 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 89.265 81.418 -11.860 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 88.762 80.148 -11.206 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 43.453 30.585 50.417 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 43.137 31.160 51.114 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 42.853 30.740 49.687 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 86.796 61.309 67.374 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 87.722 61.084 67.458 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 86.427 60.609 66.836 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 31.324 35.120 57.621 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 31.476 35.307 58.547 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 32.194 35.161 57.222 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 44.960 73.966 -12.655 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 44.408 74.620 -13.085 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 45.178 73.344 -13.348 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 74.423 38.174 49.567 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 75.173 38.076 50.153 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 74.254 37.289 49.243 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 63.229 56.298 56.509 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 63.068 55.551 57.086 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 62.753 56.088 55.706 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 89.019 65.918 29.449 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 88.844 65.734 30.372 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 88.230 65.624 28.993 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 37.767 41.844 49.549 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 37.528 41.866 48.623 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 38.068 42.732 49.741 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 69.864 82.688 1.326 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 70.498 82.266 0.747 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 69.728 82.057 2.033 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 70.432 40.949 -13.617 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 69.697 41.020 -13.008 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 70.980 40.255 -13.251 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 26.381 93.310 -1.081 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 25.761 93.984 -0.802 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 26.230 93.220 -2.022 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 34.400 2.919 -4.552 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 34.165 2.876 -5.479 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 33.790 2.320 -4.122 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 35.306 86.345 22.132 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 36.150 86.504 22.555 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 34.665 86.754 22.714 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 22.675 55.365 49.398 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 22.966 54.932 50.201 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 23.199 56.164 49.353 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 47.311 45.052 55.722 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 47.091 45.675 56.415 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 46.623 44.388 55.769 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 79.558 76.978 59.786 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 79.332 76.425 59.038 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 80.390 76.625 60.102 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 51.841 83.721 -17.922 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 51.188 84.130 -17.355 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 51.409 82.938 -18.262 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 48.562 4.402 4.018 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 49.162 4.879 3.444 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 48.287 3.645 3.501 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 79.419 44.774 34.478 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 79.133 44.121 33.840 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 79.140 44.422 35.324 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 44.759 44.942 3.294 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 44.216 45.008 4.080 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 44.183 45.218 2.581 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 36.295 38.496 20.009 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 37.100 38.539 19.493 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 36.039 39.410 20.130 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 70.938 32.576 -6.821 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 70.560 33.436 -6.641 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 70.947 32.135 -5.971 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 69.458 85.572 -6.962 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 69.423 85.390 -6.023 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 69.237 84.737 -7.376 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 79.668 82.149 39.572 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 78.900 82.124 39.001 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 80.079 82.993 39.384 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 39.216 69.308 -15.943 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 38.861 69.269 -16.831 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 39.719 68.500 -15.849 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 70.717 5.272 -0.102 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 71.084 5.992 0.411 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 71.225 5.272 -0.913 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 44.019 67.699 -4.742 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 44.355 67.092 -4.082 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 43.607 68.399 -4.236 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 47.077 60.993 6.421 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 47.497 61.698 6.914 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 47.382 60.190 6.842 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 38.835 44.804 16.896 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 39.119 45.211 17.714 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 38.986 45.474 16.230 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 46.830 0.436 -6.937 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 46.148 -0.170 -6.648 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 46.443 0.894 -7.684 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 77.703 45.114 20.171 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 77.082 44.552 20.635 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 78.467 45.154 20.747 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 30.886 78.185 8.009 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 31.690 78.541 8.386 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 30.513 77.643 8.705 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 46.189 91.654 53.355 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 45.671 91.940 52.602 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 45.567 91.182 53.909 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 24.413 68.826 23.791 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 23.679 68.494 23.275 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 25.030 68.096 23.828 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 30.649 38.637 42.168 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 29.786 38.231 42.236 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 30.487 39.571 42.304 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 89.862 6.421 -1.698 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 90.212 5.731 -1.134 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 90.457 7.160 -1.571 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 22.582 31.395 -6.219 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 22.282 31.882 -5.452 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 22.007 31.685 -6.927 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 26.541 84.686 20.771 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 25.813 84.137 20.481 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 26.913 85.040 19.963 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 68.426 34.444 -19.413 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 67.693 34.235 -18.834 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 69.204 34.322 -18.869 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 50.152 10.588 7.311 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 50.740 10.114 7.901 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 49.276 10.416 7.657 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 44.186 54.207 62.028 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 45.110 54.233 62.276 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 43.719 54.086 62.854 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 60.153 65.142 48.582 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 59.556 64.615 48.050 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 60.776 64.510 48.939 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 89.383 27.213 -12.756 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 88.881 26.403 -12.670 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 88.768 27.904 -12.514 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 82.396 63.382 30.339 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 81.897 62.624 30.034 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 81.804 64.124 30.217 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 22.343 77.552 -8.444 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 23.281 77.378 -8.367 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 21.928 76.870 -7.916 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 63.568 90.733 -8.332 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 63.793 90.759 -7.402 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 62.631 90.924 -8.357 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 43.318 46.813 -15.690 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 44.096 46.368 -16.025 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 43.438 47.729 -15.941 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 58.654 81.569 26.152 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 58.036 80.874 26.380 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 59.500 81.126 26.086 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 77.861 78.402 38.080 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 77.553 77.646 38.579 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 77.259 78.463 37.339 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 78.506 52.703 3.290 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 78.848 52.722 2.396 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 77.674 52.234 3.219 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 78.727 79.443 14.101 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 78.495 78.697 13.549 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 79.644 79.295 14.332 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 48.951 96.073 19.416 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 48.769 97.006 19.530 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 48.113 95.697 19.144 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 23.141 50.472 44.862 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 22.902 50.622 45.777 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 22.303 50.389 44.407 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 24.224 36.453 17.191 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 23.499 36.245 17.781 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 24.001 37.311 16.830 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 55.937 36.113 53.946 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 55.782 35.638 54.763 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 56.003 35.429 53.280 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 28.205 24.737 -15.279 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 28.169 24.024 -15.917 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 29.123 24.771 -15.009 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 71.172 10.740 0.063 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 70.409 11.312 -0.017 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 71.800 11.249 0.577 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 30.797 72.816 -14.495 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 31.718 72.950 -14.274 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 30.559 72.002 -14.051 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 30.266 47.837 25.312 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 29.745 48.008 26.097 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 31.003 48.444 25.377 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 69.155 58.337 63.564 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 68.492 58.685 64.160 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 68.820 58.539 62.690 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 68.936 96.258 -17.274 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 69.476 96.568 -16.547 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 69.119 96.870 -17.987 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 65.651 42.803 -15.513 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 66.008 42.760 -16.400 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 65.644 41.894 -15.212 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 78.743 88.157 -17.828 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 78.127 87.426 -17.873 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 79.468 87.896 -18.396 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 71.978 75.037 -11.172 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 71.301 74.375 -11.037 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 72.535 74.972 -10.396 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 23.887 43.987 -2.298 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 23.784 43.371 -1.573 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 23.986 44.841 -1.877 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 87.829 76.763 61.838 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 88.517 77.387 61.606 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 87.018 77.270 61.786 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 65.207 48.198 26.564 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 64.612 48.637 25.956 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 64.711 47.444 26.883 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 28.345 77.700 -11.527 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 28.410 78.382 -10.858 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 29.100 77.134 -11.368 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 65.350 8.216 64.306 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 65.240 7.266 64.301 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 66.139 8.364 64.827 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 84.094 60.058 38.361 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 83.408 60.720 38.444 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 84.524 60.261 37.530 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 37.000 4.558 -4.718 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 36.814 4.698 -3.790 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 36.926 3.611 -4.837 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 76.354 77.679 30.542 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 76.888 77.907 31.304 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 76.540 76.753 30.388 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 58.380 1.038 35.921 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 57.451 1.182 35.739 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 58.837 1.529 35.238 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 55.395 96.353 20.676 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 55.415 97.307 20.607 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 56.236 96.068 20.318 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 46.996 68.165 -2.248 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 47.890 68.287 -1.928 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 46.580 67.607 -1.590 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 55.935 88.782 -4.381 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 56.717 89.222 -4.048 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 55.415 89.484 -4.774 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 24.493 40.152 1.838 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 24.500 39.434 2.471 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 25.398 40.210 1.532 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 68.862 86.218 15.062 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 68.973 86.129 14.115 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 68.743 87.158 15.202 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 28.851 41.284 39.621 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 29.559 41.928 39.663 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 28.268 41.613 38.937 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 48.278 49.960 59.686 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 48.816 49.590 58.987 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 47.383 49.706 59.460 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 64.011 68.052 57.064 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 63.963 67.192 56.647 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 64.807 68.447 56.707 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 29.595 57.495 4.445 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 29.308 57.228 5.318 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 29.049 56.986 3.846 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 89.880 63.666 66.010 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 88.984 63.993 66.088 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 90.272 64.204 65.322 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 21.071 16.881 -6.010 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 21.308 16.456 -5.186 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 21.908 17.056 -6.440 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 80.654 48.108 10.540 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 81.191 47.787 9.815 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 81.231 48.062 11.303 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 43.178 85.921 27.786 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 43.547 85.297 27.161 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 43.825 86.625 27.832 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 74.941 0.597 54.353 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 75.128 0.643 53.415 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 73.991 0.698 54.413 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 45.393 57.191 -10.667 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 45.080 57.962 -10.194 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 45.848 56.671 -10.005 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 42.293 26.663 66.306 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 43.082 26.998 66.731 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 42.191 25.777 66.654 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 24.516 68.890 62.606 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 25.425 69.113 62.404 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 24.293 68.201 61.980 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 83.411 95.239 -5.971 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 82.936 95.226 -5.140 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 83.111 96.037 -6.407 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 72.801 65.278 14.707 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 72.753 64.733 13.922 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 72.971 64.660 15.418 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 47.011 3.159 47.844 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 47.332 3.488 47.005 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 46.357 2.501 47.610 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 39.782 58.204 56.222 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 39.402 58.988 55.826 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 39.196 57.494 55.961 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 64.064 0.772 26.937 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 63.426 1.173 27.528 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 64.475 1.512 26.491 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 47.202 71.668 33.671 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 46.828 72.549 33.643 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 48.137 71.800 33.517 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 77.504 79.753 -3.353 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 78.307 80.226 -3.135 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 77.762 79.150 -4.050 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 33.193 9.130 -6.550 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 34.108 9.271 -6.797 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 33.178 8.249 -6.176 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 30.950 85.836 31.326 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 31.149 84.994 31.735 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 31.632 85.949 30.665 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 46.462 69.197 -15.946 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 46.237 69.478 -15.059 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 46.003 68.364 -16.058 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 70.481 87.740 29.807 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 69.730 87.690 29.216 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 71.228 87.479 29.268 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 75.271 58.646 -16.696 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 75.572 58.997 -15.857 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 76.039 58.207 -17.062 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 22.006 93.720 -9.378 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 21.965 92.822 -9.047 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 21.315 94.182 -8.903 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 78.316 58.025 16.277 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 77.672 57.394 16.597 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 79.125 57.796 16.735 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 39.450 82.968 11.291 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 39.286 83.910 11.317 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 39.851 82.770 12.137 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 54.292 0.259 18.018 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 53.455 0.079 18.446 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 54.700 0.932 18.563 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 64.034 15.566 37.991 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 64.088 14.847 37.363 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 64.244 16.348 37.480 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 23.621 6.387 7.562 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 23.660 5.431 7.592 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 23.358 6.645 8.445 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 42.014 69.044 27.429 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 41.552 69.000 26.591 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 42.689 69.709 27.296 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 58.282 60.858 32.971 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 57.463 60.444 33.244 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 58.027 61.453 32.266 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 57.153 22.862 21.795 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 56.754 23.175 22.608 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 56.443 22.892 21.153 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 86.718 50.149 32.649 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 86.984 50.314 33.553 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 86.296 49.290 32.676 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 49.183 47.896 49.611 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 49.404 48.827 49.613 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 49.282 47.628 48.697 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 87.421 84.480 47.191 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 86.644 85.039 47.174 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 87.077 83.589 47.139 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 41.702 93.147 28.250 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 41.688 93.508 27.363 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 42.029 92.254 28.140 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 34.057 12.736 36.534 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 34.472 13.596 36.473 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 34.091 12.390 35.642 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 59.832 8.419 8.839 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 59.808 8.667 7.915 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 58.914 8.410 9.109 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 75.058 18.001 -9.958 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 75.705 18.694 -10.086 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 74.502 18.045 -10.736 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 28.132 5.116 12.485 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 28.767 4.988 11.781 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 28.066 6.066 12.579 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 65.314 52.488 16.414 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 65.485 51.573 16.635 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 64.426 52.486 16.057 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 56.011 82.936 2.572 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 55.411 82.386 2.067 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 55.460 83.641 2.913 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 75.502 19.887 52.458 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 75.535 20.235 51.567 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 75.708 20.636 53.017 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 32.509 57.269 -9.201 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 33.133 57.161 -9.919 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 32.781 58.077 -8.766 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 35.313 3.955 37.777 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 35.696 3.649 38.599 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 34.544 3.399 37.649 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 66.551 76.296 8.003 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 66.636 75.363 8.203 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 65.610 76.431 7.887 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 53.097 0.616 2.951 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 53.793 1.270 2.896 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 53.143 0.292 3.851 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 52.681 44.524 -2.186 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 53.328 45.085 -1.760 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 52.177 44.147 -1.465 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 28.428 79.438 10.991 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 27.846 80.184 11.136 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 29.307 79.787 11.137 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 65.982 12.351 39.347 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 66.300 11.523 38.990 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 66.504 13.020 38.905 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 35.077 30.657 45.225 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 35.277 29.775 44.911 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 35.908 31.128 45.165 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 82.019 88.062 -3.776 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 82.684 88.126 -3.091 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 81.861 88.967 -4.043 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 88.985 61.845 17.694 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 89.754 62.384 17.507 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 88.664 61.578 16.833 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 58.766 48.703 49.371 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 58.590 47.762 49.397 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 58.287 49.057 50.121 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 34.022 69.407 61.527 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 33.663 68.536 61.357 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 33.430 69.787 62.176 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 69.045 2.037 64.532 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 68.728 1.703 63.693 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 69.339 1.259 65.006 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 55.865 92.736 20.884 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 55.068 93.220 20.670 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 55.920 92.054 20.216 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 83.166 59.157 58.959 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 83.861 59.709 59.317 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 82.363 59.490 59.360 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 29.115 89.089 48.326 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 30.045 89.290 48.437 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 28.691 89.944 48.265 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 87.864 91.164 30.647 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 87.560 91.592 29.846 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 88.724 91.549 30.813 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 85.476 67.193 -11.083 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 84.555 67.095 -10.843 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 85.810 66.297 -11.127 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 22.365 56.345 21.515 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 23.040 55.925 20.984 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 21.540 56.081 21.107 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 87.935 38.873 3.531 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 88.328 39.630 3.966 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 88.524 38.147 3.736 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 84.352 49.761 -8.153 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 85.128 49.592 -7.619 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 84.694 49.899 -9.036 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 51.710 77.782 48.777 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 52.239 77.903 47.989 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 50.806 77.800 48.464 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 82.173 16.438 39.404 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 82.105 17.265 39.881 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 83.068 16.431 39.062 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 75.705 72.495 30.132 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 74.770 72.544 30.332 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 75.741 72.278 29.200 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 74.873 26.402 67.194 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 75.693 26.889 67.108 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 74.665 26.124 66.302 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 88.409 1.090 56.858 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 89.326 1.307 56.685 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 87.919 1.850 56.544 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 61.650 56.200 28.160 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 60.852 56.029 28.660 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 61.446 55.901 27.274 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 79.701 55.144 -16.547 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 79.036 54.927 -15.894 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 80.517 54.804 -16.181 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 68.587 77.902 40.514 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 69.081 77.295 39.962 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 68.839 78.771 40.201 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 87.542 93.544 -13.956 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 87.375 92.713 -14.402 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 88.495 93.590 -13.882 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 47.198 88.292 3.715 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 47.191 87.475 3.215 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 47.995 88.740 3.431 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 20.914 25.757 57.678 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 21.648 26.292 57.376 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 21.321 25.057 58.187 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 56.191 37.608 -0.742 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 56.004 37.325 -1.637 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 55.338 37.851 -0.383 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 89.774 72.367 -3.486 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 90.425 71.854 -3.965 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 89.685 71.918 -2.646 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 74.950 79.762 -8.898 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 74.465 80.504 -8.537 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 74.292 79.249 -9.367 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 31.208 86.293 26.925 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 31.838 85.578 26.829 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 31.676 86.958 27.429 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 66.765 83.894 60.152 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 67.168 84.744 60.334 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 65.824 84.067 60.164 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 79.543 89.525 52.068 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 80.207 89.462 51.381 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 80.028 89.804 52.845 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 83.828 50.416 12.795 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 83.713 51.365 12.832 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 84.573 50.286 12.209 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 48.111 11.199 47.979 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 48.513 11.977 47.591 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 48.618 11.038 48.774 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 51.021 68.132 7.342 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 51.515 67.324 7.481 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 50.500 68.234 8.139 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 63.574 61.702 31.698 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 62.868 61.557 31.068 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 63.681 62.652 31.724 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 22.168 34.878 35.740 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 21.720 34.811 36.583 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 22.030 35.784 35.465 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 70.474 55.238 21.035 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 69.766 55.201 21.678 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 70.095 54.866 20.238 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 52.085 7.737 6.386 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 52.155 6.957 5.836 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 51.313 8.196 6.054 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 45.297 48.851 -19.177 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 45.373 49.657 -18.666 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 45.741 49.047 -20.002 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 84.882 64.251 21.926 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 85.344 63.435 21.733 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 84.163 64.275 21.295 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 80.131 95.548 -17.590 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 79.356 96.100 -17.693 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 80.470 95.770 -16.723 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 28.562 29.127 65.819 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 29.202 29.092 65.108 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 27.814 28.626 65.493 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 38.986 10.413 20.034 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 38.139 10.747 19.736 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 39.625 10.833 19.460 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 68.827 95.585 27.127 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 69.474 95.914 27.751 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 67.983 95.754 27.546 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 63.809 87.153 43.480 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 64.490 86.480 43.462 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 64.162 87.836 44.050 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 21.319 2.374 65.240 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 21.419 1.499 64.867 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 20.444 2.371 65.627 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 51.203 18.211 -14.570 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 51.654 17.395 -14.790 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 51.908 18.829 -14.374 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 31.904 52.197 34.551 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 32.215 53.054 34.844 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 30.954 52.235 34.663 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 79.050 56.264 22.087 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 78.176 56.507 21.780 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 78.891 55.731 22.866 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 31.788 71.629 -19.371 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 31.572 71.003 -18.680 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 32.174 71.096 -20.066 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 32.067 35.590 7.243 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 32.168 35.973 6.372 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 32.545 36.183 7.823 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 68.580 83.078 5.462 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 68.226 83.333 6.314 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 68.210 83.714 4.849 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 71.377 26.681 33.049 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 71.927 26.259 33.710 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 71.977 26.885 32.332 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 66.305 89.396 40.062 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 67.016 88.757 40.007 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 65.520 88.903 39.823 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 86.331 83.007 56.610 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 86.944 83.129 57.335 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 85.577 82.570 57.005 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 38.407 90.484 -3.780 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 39.334 90.582 -4.001 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 38.331 90.853 -2.900 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 55.629 66.572 28.435 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 56.050 65.855 28.909 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 55.542 66.248 27.539 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 70.065 62.172 -12.537 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 70.652 61.464 -12.803 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 69.194 61.774 -12.534 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 59.800 56.516 22.194 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 59.218 56.527 21.434 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 59.261 56.846 22.913 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 86.388 2.144 60.521 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 85.618 2.407 60.018 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 86.743 1.395 60.042 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 65.598 48.022 -18.100 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 65.415 48.780 -17.545 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 64.760 47.564 -18.165 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 83.894 79.793 3.615 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 84.824 79.567 3.605 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 83.456 78.993 3.906 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 71.960 39.705 39.648 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 71.293 40.193 39.165 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 72.638 39.517 38.999 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 26.116 86.429 -19.013 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 26.061 87.372 -18.859 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 25.494 86.048 -18.393 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 87.527 80.696 65.362 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 86.812 80.497 65.966 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 87.675 81.636 65.468 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 23.713 66.126 14.231 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 23.593 66.248 15.173 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 24.637 66.326 14.079 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 24.056 54.513 15.648 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 24.745 55.173 15.568 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 23.863 54.258 14.746 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 51.929 22.940 1.440 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 51.210 23.381 1.892 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 51.645 22.893 0.527 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 45.897 51.507 -8.717 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 46.559 51.800 -8.091 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 45.215 51.108 -8.176 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 34.595 12.708 46.972 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 34.947 13.047 47.795 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 35.354 12.338 46.521 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 33.078 74.997 50.413 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 32.455 74.594 51.017 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 32.531 75.414 49.747 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 65.520 20.885 -0.836 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 65.865 20.028 -0.586 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 66.192 21.506 -0.556 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 27.853 26.809 51.399 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 27.050 27.319 51.501 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 27.950 26.345 52.231 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 82.400 80.769 10.183 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 83.176 80.753 9.624 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 82.741 80.927 11.063 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 78.891 84.263 66.141 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 77.979 83.970 66.159 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 78.847 85.195 66.354 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 69.178 64.007 13.548 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 68.608 63.679 12.853 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 69.575 63.221 13.924 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 51.971 5.945 14.429 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 52.054 6.193 13.508 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 52.091 6.764 14.909 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 35.864 93.641 42.402 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 36.462 92.894 42.432 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 35.295 93.463 41.654 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 35.105 95.747 9.020 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 35.332 95.981 9.920 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 34.650 94.908 9.097 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 90.217 88.343 5.052 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 90.121 87.775 5.816 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 89.438 88.167 4.523 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 51.949 75.621 63.767 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 52.388 74.924 63.279 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 51.047 75.606 63.447 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 60.914 83.208 40.546 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 61.341 83.323 39.698 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 61.431 83.742 41.150 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 64.536 73.696 19.132 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 65.303 74.087 18.713 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 63.889 73.624 18.430 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 29.978 55.991 33.463 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 30.236 56.192 32.563 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 29.859 56.847 33.875 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 56.065 41.204 45.038 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 55.538 41.875 44.603 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 55.874 40.399 44.556 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 63.265 64.616 31.233 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 63.147 65.330 30.606 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 62.430 64.148 31.224 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 45.528 13.192 24.803 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 44.631 13.298 24.486 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 45.590 13.787 25.551 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 83.178 30.276 51.442 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 84.004 30.300 50.960 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 82.889 31.188 51.468 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 27.612 48.081 60.386 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 27.201 48.462 61.162 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 28.353 48.658 60.199 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 57.517 84.529 64.440 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 57.320 83.804 65.034 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 57.484 84.139 63.566 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 40.660 21.270 25.869 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 41.451 21.739 25.603 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 40.839 20.355 25.653 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 70.100 40.627 -8.667 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 69.313 40.479 -8.142 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 69.973 40.086 -9.447 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 45.257 46.144 -18.658 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 45.743 45.643 -19.314 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 45.574 47.041 -18.758 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 65.410 86.911 10.299 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 64.618 86.594 10.734 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 65.177 87.784 9.981 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 66.117 28.689 0.604 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 66.613 28.437 1.382 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 66.175 29.645 0.582 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 73.720 21.513 1.287 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 74.341 21.799 0.617 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 72.900 21.951 1.058 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 27.577 75.921 64.533 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 27.421 75.467 65.361 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 26.710 76.214 64.253 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 35.025 86.670 -14.762 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 34.362 87.296 -15.054 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 35.846 87.161 -14.788 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 49.088 37.432 -9.682 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 48.452 36.736 -9.516 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 48.704 38.209 -9.274 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 51.632 89.834 -16.956 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 51.775 89.079 -17.526 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 51.577 89.463 -16.075 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 36.610 77.676 55.800 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 37.292 77.046 56.030 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 37.084 78.410 55.408 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 62.856 53.319 -3.266 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 62.038 52.903 -3.536 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 63.315 52.645 -2.766 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 54.645 38.145 37.545 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 53.784 38.555 37.463 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 54.874 37.888 36.652 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 30.301 77.859 40.199 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 30.236 77.046 40.701 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 30.170 78.551 40.847 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 60.525 50.914 -15.630 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 61.032 51.217 -14.877 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 60.963 51.304 -16.387 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 76.265 46.078 43.641 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 76.195 46.322 44.563 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 75.641 46.649 43.193 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 59.490 43.483 -10.227 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 58.811 42.813 -10.152 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 60.134 43.248 -9.559 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 40.264 13.820 51.370 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 39.315 13.736 51.467 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 40.580 14.015 52.252 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 76.790 85.823 51.491 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 76.097 86.195 50.946 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 77.092 85.055 51.005 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 51.760 96.375 -1.615 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 51.192 95.616 -1.479 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 51.677 96.883 -0.808 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 27.522 19.311 51.802 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 28.268 19.207 51.211 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 27.756 18.798 52.576 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 62.646 76.658 -13.560 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 62.710 76.348 -12.657 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 62.897 75.902 -14.091 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 53.519 39.153 -12.528 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 53.393 39.024 -11.588 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 52.633 39.198 -12.885 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 37.680 58.065 2.667 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 37.432 57.182 2.941 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 38.444 58.278 3.203 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 48.811 31.692 5.573 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 47.994 32.012 5.954 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 49.498 32.126 6.079 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 79.178 68.760 21.415 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 78.606 69.098 20.726 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 78.597 68.615 22.161 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 36.401 96.773 3.699 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 36.343 96.650 4.647 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 35.654 96.288 3.348 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 63.221 12.151 39.840 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 64.153 12.142 39.619 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 63.059 11.291 40.228 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 24.887 15.573 -11.075 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 24.901 16.347 -11.638 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 24.142 15.061 -11.390 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 44.732 89.339 45.551 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 44.117 88.728 45.146 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 44.502 90.191 45.182 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 35.140 1.666 -10.388 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 34.387 1.247 -9.971 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 35.307 1.138 -11.168 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 50.371 28.578 29.556 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 49.608 29.111 29.334 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 50.916 28.598 28.769 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 70.670 89.391 26.817 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 69.999 88.856 27.241 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 70.973 88.857 26.082 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 22.990 79.956 7.644 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 23.649 79.687 7.003 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 22.734 79.144 8.081 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 66.348 7.941 36.916 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 65.636 7.867 36.280 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 67.145 7.939 36.386 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 69.985 60.937 -5.421 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 69.659 60.138 -5.006 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 69.231 61.527 -5.430 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 52.596 64.512 47.120 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 52.330 64.312 46.223 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 53.201 63.809 47.354 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 56.286 87.996 27.958 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 55.557 87.809 28.548 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 55.872 88.178 27.114 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 46.749 80.343 -18.160 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 46.646 81.248 -18.455 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 45.891 80.107 -17.806 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 68.318 81.444 44.472 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 67.922 80.977 43.736 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 68.379 80.789 45.167 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 78.980 84.226 7.440 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 79.385 84.133 6.578 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 79.584 84.783 7.931 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 89.236 54.506 14.773 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 90.019 54.279 14.272 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 89.540 54.571 15.678 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 38.336 66.741 1.031 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 38.267 67.556 0.532 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 39.078 66.882 1.619 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 26.295 64.127 -4.669 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 27.190 63.798 -4.587 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 26.099 64.506 -3.812 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 71.377 8.478 40.725 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 71.197 7.539 40.696 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 70.769 8.859 40.091 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 34.441 58.757 31.521 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 35.277 59.022 31.905 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 34.041 59.575 31.227 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 37.439 5.422 -1.275 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 37.431 5.323 -0.323 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 36.569 5.136 -1.553 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 86.853 4.843 53.550 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 86.711 3.976 53.170 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 86.243 5.413 53.081 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 35.885 21.534 48.125 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 35.506 21.727 48.983 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 36.803 21.795 48.205 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 84.781 54.614 27.782 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 85.040 55.351 27.229 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 85.553 54.049 27.806 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 25.071 76.354 14.128 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 24.129 76.261 13.987 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 25.255 75.806 14.891 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 36.349 3.244 10.757 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 35.409 3.149 10.605 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 36.445 3.190 11.708 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 20.666 73.595 33.562 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 20.843 74.359 34.110 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 19.713 73.578 33.475 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 38.403 95.135 -3.339 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 38.142 95.628 -4.117 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 37.589 95.009 -2.851 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 23.006 53.735 65.289 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 22.442 53.205 65.852 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 22.863 54.634 65.584 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 22.812 85.938 49.908 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 22.391 86.506 50.553 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 23.474 86.493 49.495 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 59.997 83.155 -0.325 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 60.068 82.360 -0.854 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 59.090 83.160 -0.019 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 79.509 86.850 46.808 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 79.008 87.468 47.340 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 79.154 86.951 45.925 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 64.617 57.567 -10.593 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 65.234 56.952 -10.197 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 63.754 57.237 -10.340 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 36.877 57.027 29.758 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 36.706 57.879 29.357 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 37.811 57.043 29.965 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 53.071 51.994 -15.415 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 52.889 52.369 -14.553 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 53.978 51.694 -15.360 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 46.830 90.614 23.980 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 46.694 89.722 23.661 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 46.639 90.566 24.917 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 73.554 1.073 -16.487 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 73.422 0.245 -16.025 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 72.749 1.199 -16.988 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 35.024 17.188 44.036 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 34.734 17.903 43.469 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 34.326 16.535 43.974 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 89.502 93.564 34.976 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 89.852 92.674 35.014 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 90.036 94.058 35.599 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 70.207 62.196 -18.036 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 69.966 62.915 -18.619 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 70.094 61.408 -18.568 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 86.602 93.141 25.115 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 86.564 93.149 24.158 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 85.855 92.603 25.379 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 79.491 85.498 63.104 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 79.489 84.759 62.495 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 79.582 85.096 63.968 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 86.509 51.837 64.435 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 87.215 52.481 64.376 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 86.606 51.301 63.648 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 82.116 55.741 24.503 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 81.839 55.169 25.219 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 82.610 56.440 24.932 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 77.844 89.802 9.480 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 78.751 89.855 9.178 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 77.639 90.688 9.779 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 76.754 79.188 25.019 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 76.260 78.607 25.597 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 76.478 80.069 25.271 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 90.301 86.741 58.299 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 89.800 86.871 57.493 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 90.077 85.854 58.580 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 64.089 91.232 -5.844 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 64.169 92.183 -5.778 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 64.291 90.912 -4.964 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 59.909 14.647 18.295 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 60.288 13.915 18.782 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 60.420 15.409 18.571 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 44.336 30.879 58.088 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 43.910 31.600 57.623 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 43.801 30.112 57.883 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 59.249 4.637 64.652 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 58.841 3.772 64.609 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 60.106 4.520 64.243 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 71.921 56.041 -12.554 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 72.330 56.818 -12.172 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 72.118 55.338 -11.935 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 21.444 21.641 -1.955 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 20.903 22.329 -2.341 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 22.198 22.104 -1.591 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 35.044 31.694 51.283 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 34.251 31.178 51.429 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 35.637 31.426 51.984 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 82.266 8.599 55.259 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 82.900 9.234 55.590 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 82.689 7.749 55.386 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 65.430 5.583 65.417 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 65.063 4.746 65.130 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 64.958 5.788 66.224 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 63.479 2.572 30.449 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 63.471 2.787 29.516 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 62.898 3.219 30.850 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 20.473 71.308 34.854 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 20.409 72.185 34.474 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 20.502 70.721 34.099 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 30.789 29.753 61.433 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 30.846 28.893 61.851 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 31.493 30.262 61.836 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 52.653 77.807 59.166 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 52.343 78.679 59.408 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 52.060 77.207 59.619 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 85.768 85.641 55.725 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 85.741 84.689 55.635 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 86.578 85.901 55.287 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 22.110 7.181 46.752 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 22.229 7.361 47.684 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 22.541 6.337 46.613 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 31.332 43.280 54.152 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 31.285 42.680 53.408 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 31.074 44.129 53.793 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 66.481 9.039 45.131 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 66.333 8.112 45.317 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 65.671 9.333 44.714 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 45.959 66.454 -0.284 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 46.116 66.709 0.625 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 46.243 65.541 -0.329 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 34.888 18.037 54.152 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 35.838 18.146 54.170 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 34.739 17.328 53.526 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 84.002 55.257 38.796 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 83.936 56.124 38.396 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 83.095 54.996 38.956 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 64.066 4.161 18.554 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 64.341 4.477 17.694 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 63.475 3.432 18.365 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 41.873 22.815 53.394 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 41.379 22.274 52.778 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 42.753 22.861 53.019 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 26.774 1.998 66.602 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 27.662 1.797 66.899 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 26.710 2.951 66.665 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 82.950 45.564 55.957 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 81.994 45.613 55.968 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 83.212 45.773 56.853 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 51.441 13.098 12.873 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 52.115 13.712 12.579 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 51.931 12.352 13.219 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 62.924 94.440 8.386 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 62.467 93.711 8.804 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 63.731 94.539 8.891 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 73.866 45.784 37.806 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 73.350 46.153 37.089 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 73.516 44.901 37.925 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 52.317 28.170 -18.445 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 52.792 27.856 -17.675 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 51.901 28.982 -18.156 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 68.975 16.912 9.656 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 69.489 16.564 8.927 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 68.329 17.484 9.243 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 53.779 72.645 31.219 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 53.683 72.185 30.385 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 53.171 72.199 31.810 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 45.385 72.781 3.653 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 44.951 72.037 4.070 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 45.749 72.422 2.843 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 25.616 11.448 -5.584 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 26.501 11.760 -5.396 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 25.099 12.245 -5.694 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 23.408 94.412 18.893 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 23.651 94.620 19.795 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 24.190 94.616 18.380 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 46.769 27.428 -17.568 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 47.037 26.510 -17.611 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 45.849 27.422 -17.833 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 86.860 76.733 22.796 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 85.925 76.543 22.722 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 87.134 76.282 23.594 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 82.135 42.041 65.665 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 82.128 41.507 66.459 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 81.935 41.425 64.960 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 24.699 60.191 -19.282 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 24.083 60.497 -18.616 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 25.562 60.392 -18.921 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 20.960 38.114 -8.511 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 21.608 38.416 -7.874 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 21.477 37.835 -9.266 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 81.821 94.150 -11.523 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 81.867 93.195 -11.559 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 82.732 94.432 -11.444 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 40.120 75.586 17.982 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 39.240 75.569 17.605 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 40.448 74.694 17.866 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 69.116 90.458 52.207 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 69.917 89.951 52.338 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 68.597 89.935 51.597 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 71.279 19.536 6.695 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 71.491 20.176 6.016 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 70.697 20.004 7.293 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 72.821 21.399 4.668 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 72.379 22.195 4.371 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 73.395 21.693 5.375 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 79.697 85.912 -11.097 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 80.470 85.352 -11.020 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 79.590 86.294 -10.226 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 26.172 63.182 -18.148 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 26.020 63.192 -19.093 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 25.726 63.964 -17.825 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 52.695 60.478 56.482 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 52.054 61.064 56.080 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 52.808 59.772 55.845 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 90.710 38.662 -17.014 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 90.918 39.583 -17.170 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 90.230 38.661 -16.185 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 65.935 40.081 -15.079 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 66.472 39.360 -15.408 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 65.245 39.654 -14.572 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 43.586 78.991 58.097 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 42.884 79.309 57.531 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 43.224 78.209 58.514 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 27.988 8.648 2.748 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 28.322 9.459 2.365 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 27.536 8.211 2.026 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 73.174 57.638 25.185 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 73.717 56.866 25.348 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 72.428 57.535 25.776 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 53.672 84.869 -19.655 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 53.364 84.293 -18.956 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 54.424 84.410 -20.031 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 46.126 88.961 42.901 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 46.520 89.232 43.731 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 46.130 88.004 42.935 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 73.542 26.512 2.138 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 73.853 25.836 1.537 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 74.335 26.841 2.561 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 38.583 87.189 51.459 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 37.939 87.896 51.427 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 38.210 86.552 52.068 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 52.797 21.620 67.421 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 52.829 20.776 66.971 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 51.976 22.017 67.129 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 63.293 94.236 12.341 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 63.054 94.041 13.247 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 62.492 94.587 11.952 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 89.930 45.251 55.150 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 90.264 45.846 55.821 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 90.547 45.339 54.423 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 62.563 58.549 30.110 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 61.619 58.707 30.123 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 62.667 57.761 29.577 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 69.989 69.660 38.994 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 69.408 69.416 39.715 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 69.624 69.214 38.230 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 71.616 35.286 5.027 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 71.831 35.395 5.953 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 70.722 34.945 5.027 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 87.049 82.650 40.988 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 87.923 83.035 40.920 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 86.983 82.068 40.231 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 27.849 9.654 30.015 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 28.150 10.411 29.513 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 27.889 9.940 30.927 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 35.592 82.327 59.884 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 35.005 82.247 60.637 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 35.084 81.987 59.147 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 33.840 63.095 13.813 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 34.511 63.005 14.490 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 34.313 63.424 13.049 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 41.463 24.036 3.263 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 42.108 24.541 3.758 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 41.762 24.089 2.355 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 24.909 66.825 4.753 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 25.642 66.393 5.191 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 24.825 67.668 5.200 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 63.581 40.963 -18.231 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 64.534 40.881 -18.263 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 63.356 41.453 -19.022 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 38.333 69.039 -4.935 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 38.470 68.823 -4.012 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 39.086 68.655 -5.385 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 64.149 52.722 41.290 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 63.797 52.146 40.612 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 63.979 52.260 42.110 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 90.216 92.811 30.528 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 90.996 92.256 30.514 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 90.064 93.035 29.610 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 56.426 77.034 66.774 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 56.784 77.120 67.657 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 56.801 76.218 66.441 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 75.029 65.340 -15.431 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 74.073 65.320 -15.479 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 75.222 66.018 -14.783 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 43.790 1.742 -9.158 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 43.695 2.326 -8.406 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 43.432 0.906 -8.858 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 71.611 8.807 54.145 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 71.046 9.556 53.958 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 71.811 8.883 55.078 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 41.494 94.272 25.899 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 42.001 94.959 25.466 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 40.605 94.622 25.945 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 69.634 60.394 57.623 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 68.879 60.017 57.173 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 69.261 60.855 58.374 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 72.048 30.335 35.611 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 71.520 29.701 35.127 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 71.415 30.974 35.939 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 31.290 18.162 -8.216 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 31.237 18.918 -7.632 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 30.834 17.464 -7.747 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 76.685 62.117 55.379 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 75.999 62.129 56.047 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 76.335 61.557 54.686 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 29.190 52.948 36.729 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 29.385 53.105 35.805 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 28.781 53.759 37.030 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 45.421 52.016 3.925 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 45.455 51.086 3.701 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 46.285 52.207 4.290 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 71.980 83.219 24.594 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 71.956 82.771 25.440 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 72.271 82.548 23.976 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 32.886 49.437 51.362 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 33.412 49.994 50.788 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 33.279 48.568 51.280 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 56.044 78.225 63.271 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 55.520 77.605 63.778 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 55.620 78.251 62.413 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 70.055 12.206 48.028 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 69.592 11.673 47.382 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 69.599 13.047 48.017 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 71.610 13.277 3.336 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 71.992 12.556 2.835 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 70.671 13.223 3.155 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 48.702 82.311 -10.292 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 47.754 82.214 -10.200 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 48.837 83.251 -10.414 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 27.612 3.340 59.086 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 26.874 3.176 59.673 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 28.371 3.402 59.666 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 57.018 9.148 56.878 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 56.338 8.651 56.422 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 57.405 8.520 57.488 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 60.647 85.126 52.710 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 61.419 85.544 53.090 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 60.367 84.493 53.372 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 56.583 90.048 25.713 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 57.213 89.342 25.570 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 56.007 90.014 24.949 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 85.973 72.808 33.105 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 85.602 71.955 33.331 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 85.316 73.441 33.396 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 63.856 55.813 64.577 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 62.972 56.181 64.599 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 64.382 56.480 64.136 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 79.367 39.618 52.703 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 79.694 39.826 51.828 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 79.247 38.668 52.695 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 82.235 74.162 25.625 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 82.973 73.552 25.621 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 81.467 73.609 25.762 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 63.384 24.251 -19.402 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 64.198 23.970 -19.820 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 62.841 24.568 -20.124 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 38.056 91.591 65.054 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 38.200 91.794 64.130 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 37.884 90.650 65.070 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 77.644 56.498 41.826 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 77.827 57.086 41.093 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 77.235 57.057 42.486 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 20.428 10.729 52.633 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 19.975 10.841 53.469 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 20.986 11.503 52.557 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 41.303 51.862 57.722 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 41.482 52.050 58.643 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 41.829 52.500 57.240 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 33.443 24.762 8.677 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 33.515 25.642 8.307 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 33.884 24.821 9.525 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 72.562 33.685 13.564 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 72.996 34.159 14.275 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 71.690 34.075 13.514 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 67.113 69.472 35.102 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 66.351 68.902 34.999 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 67.712 68.974 35.659 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 60.158 0.212 64.498 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 61.022 0.615 64.580 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 60.304 -0.561 63.953 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 51.917 24.958 55.947 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 52.091 24.342 55.235 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 51.687 25.776 55.506 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 45.082 70.980 -18.873 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 45.756 71.617 -18.639 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 44.637 70.787 -18.047 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 36.818 52.836 53.775 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 36.259 52.458 54.454 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 37.037 53.709 54.102 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 27.972 75.877 52.175 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 28.681 75.837 52.816 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 27.196 75.593 52.657 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 35.928 63.828 61.951 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 35.853 62.899 61.732 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 36.295 64.231 61.164 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 20.168 54.949 -10.831 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 19.902 55.188 -9.943 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 20.957 54.420 -10.711 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 47.098 36.802 12.970 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 47.490 36.042 13.400 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 46.332 37.012 13.504 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 31.800 36.838 52.320 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 32.281 37.223 51.587 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 31.224 37.539 52.625 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 51.552 76.621 -8.869 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 51.411 77.035 -8.017 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 51.371 75.693 -8.718 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 41.176 92.065 -16.388 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 40.926 91.883 -17.294 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 40.833 91.322 -15.890 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 78.654 50.488 -5.307 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 77.708 50.596 -5.208 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 78.963 50.269 -4.428 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 49.796 68.441 61.106 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 50.106 67.739 61.678 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 49.006 68.087 60.697 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 67.183 69.652 -19.022 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 66.499 70.158 -18.584 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 66.773 69.344 -19.831 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 36.221 25.962 50.452 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 37.000 25.651 49.992 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 35.726 26.443 49.789 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 36.611 62.785 -5.742 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 36.537 63.582 -6.266 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 35.718 62.608 -5.446 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 84.743 61.043 -18.023 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 84.796 60.242 -18.544 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 85.555 61.510 -18.218 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 54.814 84.441 31.406 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 54.127 83.837 31.125 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 55.429 84.464 30.674 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 87.413 73.822 46.691 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 86.659 74.332 46.395 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 87.274 72.950 46.321 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 89.356 19.519 40.880 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 88.985 18.881 41.489 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 90.238 19.193 40.698 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 37.526 35.089 30.618 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 38.352 35.229 30.155 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 37.262 35.963 30.908 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 23.491 41.595 30.624 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 24.346 41.924 30.901 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 23.602 40.645 30.581 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 23.071 61.164 22.314 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 22.722 61.217 23.203 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 23.793 60.537 22.376 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 73.773 43.944 -15.958 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 73.388 43.441 -15.239 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 74.678 43.637 -16.007 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 77.123 0.933 41.748 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 77.181 1.876 41.592 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 77.597 0.795 42.568 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 56.353 12.553 -5.995 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 56.300 11.628 -5.753 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 57.276 12.695 -6.202 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 83.315 60.497 22.772 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 82.775 59.709 22.826 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 82.837 61.075 22.178 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 33.172 60.024 38.363 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 32.280 60.089 38.023 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 33.550 60.891 38.211 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 23.927 25.286 45.675 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 24.737 25.699 45.973 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 23.241 25.694 46.203 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 39.255 4.671 44.452 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 39.602 4.807 43.570 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 39.968 4.933 45.034 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 24.183 63.837 20.677 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 23.226 63.851 20.687 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 24.415 62.996 21.072 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 67.070 88.815 46.487 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 66.204 88.829 46.080 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 66.931 89.185 47.359 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 25.315 30.087 8.637 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 26.045 30.574 8.255 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 25.620 29.844 9.511 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 49.947 19.539 -9.709 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 49.555 18.708 -9.979 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 49.538 20.192 -10.277 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 50.936 28.974 62.548 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 50.781 28.643 61.663 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 50.498 29.825 62.566 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 82.958 49.592 56.610 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 82.719 49.737 55.694 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 82.163 49.244 57.014 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 40.199 10.757 33.605 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 40.363 10.315 32.772 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 41.022 11.202 33.807 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 84.562 68.257 43.414 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 85.196 68.623 42.797 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 83.745 68.208 42.919 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 51.224 72.227 47.451 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 50.746 71.441 47.717 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 50.865 72.445 46.590 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 66.657 4.324 -8.387 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 66.043 4.055 -9.071 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 66.776 5.263 -8.527 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 21.612 1.638 44.759 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 21.727 2.501 44.360 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 22.225 1.073 44.290 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 64.910 32.838 42.185 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 64.183 32.996 41.583 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 65.690 33.087 41.690 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 63.369 2.895 63.242 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 64.285 2.966 62.974 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 63.332 2.090 63.758 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 87.289 73.808 -3.356 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 86.715 73.353 -2.740 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 88.014 73.201 -3.503 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 27.392 78.085 -14.086 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 28.186 78.618 -14.103 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 27.258 77.883 -13.160 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 84.366 73.774 -5.723 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 83.916 72.999 -5.387 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 85.260 73.478 -5.893 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 66.258 88.200 19.352 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 65.928 87.456 18.849 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 66.854 87.811 19.993 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 27.124 79.039 37.160 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 26.255 78.955 36.767 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 27.702 79.238 36.424 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 77.233 49.010 59.965 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 77.848 49.163 59.247 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 77.526 49.598 60.661 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 44.354 49.240 -14.489 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 44.895 49.878 -14.955 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 43.884 49.757 -13.835 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 34.826 17.398 -7.926 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 34.469 18.141 -8.413 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 35.755 17.382 -8.158 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 63.465 57.731 33.972 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 63.098 57.043 33.418 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 62.772 57.927 34.603 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 49.832 92.277 6.233 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 48.948 91.941 6.383 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 50.384 91.495 6.207 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 46.173 10.169 -6.402 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 46.312 11.112 -6.482 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 45.454 10.084 -5.776 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 31.253 66.477 58.929 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 31.896 66.304 58.241 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 31.276 65.695 59.480 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 28.669 79.160 65.336 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 28.881 80.088 65.437 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 29.356 78.704 65.822 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 33.617 75.478 55.960 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 34.279 76.115 56.229 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 32.862 76.010 55.705 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 74.543 45.453 47.649 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 75.326 44.939 47.450 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 73.899 45.171 46.999 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 81.691 5.472 35.415 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 80.889 5.063 35.089 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 82.383 5.128 34.850 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 83.558 74.054 2.032 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 42.307 80.167 6.568 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 59.054 65.790 65.723 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 58.572 13.837 56.240 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 81.568 19.157 66.955 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 62.833 26.666 -7.118 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 86.227 75.362 52.086 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 68.641 34.614 28.184 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 66.673 40.665 2.698 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 67.940 26.161 11.277 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 36.870 78.581 -16.169 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 65.828 30.227 36.944 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 66.340 3.168 12.771 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 22.523 69.447 63.710 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 21.008 78.021 44.905 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 44.382 43.458 -9.216 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 77.611 40.233 2.372 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 31.753 29.027 34.500 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 59.899 82.365 -14.542 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 61.319 85.021 0.038 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 21.948 57.132 34.547 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 56.312 74.446 54.158 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 79.367 68.448 59.134 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 38.265 32.871 2.968 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 88.798 1.984 -2.556 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 35.677 59.756 63.188 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 76.790 88.007 -3.161 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 54.165 96.471 -1.304 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 67.689 43.201 51.061 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 88.116 90.800 64.044 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 44.532 19.062 64.983 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 58.315 77.926 29.428 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 77.335 17.352 58.785 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 65.975 20.268 54.048 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 73.151 79.686 5.171 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 74.490 40.578 60.135 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 77.692 90.608 58.609 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 73.621 90.295 11.182 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 34.290 93.418 31.419 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 47.116 44.926 3.380 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 42.341 39.347 -19.843 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 72.213 35.618 43.611 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 60.054 22.472 63.363 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 85.475 59.943 -10.399 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 80.835 72.909 12.602 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 77.712 74.975 -17.422 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 77.244 81.059 15.007 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 70.540 40.777 -16.041 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 53.020 93.546 62.562 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 24.720 84.219 6.013 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 34.469 75.496 26.757 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 38.786 6.924 34.498 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 46.733 4.367 -5.548 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 38.866 70.232 56.932 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 78.339 48.016 33.246 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 52.621 23.215 36.578 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 86.220 35.101 -10.166 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 55.863 14.712 -11.147 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 88.256 73.343 -19.817 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 66.450 45.781 63.838 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 21.504 8.197 52.463 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 26.335 49.202 37.955 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 83.646 53.257 42.608 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 57.092 15.231 23.514 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 37.655 37.003 54.805 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 86.632 8.317 37.847 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 28.637 43.834 58.686 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 27.262 33.766 40.811 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 71.147 25.960 -15.774 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 52.569 10.090 -2.073 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 46.693 22.379 -18.521 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 35.035 48.932 39.950 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 30.137 57.225 43.418 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 32.324 50.945 32.369 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 25.153 8.251 6.830 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 69.238 29.671 58.877 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 90.151 94.075 46.798 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 56.404 4.231 24.170 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 22.870 28.772 55.475 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 62.699 68.085 42.086 1.00 0.00 ION NA END