REMARK FINAL COORDINATES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 43.209 48.586 30.309 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 44.053 48.506 29.858 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 43.994 49.511 28.826 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 43.855 50.547 29.137 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 43.176 49.311 28.133 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 45.281 49.377 27.926 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 45.200 50.153 27.165 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 46.533 49.493 28.607 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 47.488 48.830 27.878 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 48.073 49.604 27.380 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 48.356 48.043 28.774 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 47.863 46.901 29.472 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 46.856 46.562 29.280 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 48.684 46.194 30.265 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 48.317 45.300 30.745 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 50.007 46.676 30.403 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 50.739 46.073 31.240 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 51.716 46.274 31.086 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 50.429 45.134 31.447 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 50.492 47.728 29.781 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 49.649 48.447 29.071 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 50.093 49.505 28.584 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 45.374 48.002 27.250 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 45.339 47.198 27.986 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 46.827 48.082 26.737 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 47.231 47.080 26.594 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 47.091 48.928 25.630 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 46.325 48.945 25.052 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 44.406 47.833 26.246 1.00 0.00 SBOX O ATOM 30 P ADE A 9 44.074 46.293 25.894 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 45.405 45.669 25.623 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 43.282 45.759 26.998 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 43.189 46.328 24.575 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 43.798 46.694 23.319 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 44.349 45.829 22.950 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 44.529 47.462 23.574 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 42.756 47.175 22.268 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 43.322 47.116 21.339 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 41.553 46.365 22.296 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 40.464 47.179 22.917 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 39.584 47.248 22.277 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 39.925 46.465 24.113 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 40.018 46.787 25.430 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 40.641 47.562 25.853 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 39.443 45.889 26.189 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 38.907 44.971 25.280 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 38.109 43.766 25.303 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 37.684 43.236 26.459 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 37.388 42.273 26.383 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 38.006 43.575 27.354 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 37.821 43.068 24.202 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 38.349 43.384 23.100 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 38.141 42.804 22.212 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 39.011 44.523 22.812 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 39.413 45.187 23.968 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 42.397 48.635 22.370 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 43.180 49.204 22.871 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 41.169 48.483 23.307 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 41.436 48.467 24.363 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 40.298 49.575 23.087 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 40.676 50.087 22.368 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 42.081 49.225 21.075 1.00 0.00 SBOX O ATOM 63 P ADE A 10 42.274 50.736 20.641 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 43.563 51.305 21.148 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 42.039 50.702 19.225 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 41.020 51.463 21.310 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 39.653 51.289 20.839 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 39.251 50.288 20.995 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 39.609 51.651 19.812 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 38.702 52.189 21.616 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 37.722 51.939 21.209 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 38.745 52.005 23.054 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 38.781 53.256 23.780 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 38.128 53.238 24.653 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 40.097 53.626 24.303 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 41.217 52.807 24.295 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 41.382 51.962 23.643 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 42.170 53.348 24.993 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 41.612 54.428 25.649 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 42.023 55.329 26.592 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 43.174 55.363 27.150 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 43.409 56.143 27.747 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 43.822 54.589 27.118 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 41.188 56.345 27.023 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 40.008 56.440 26.409 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 39.364 57.256 26.705 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 39.475 55.734 25.444 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 40.353 54.676 25.199 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 38.825 53.758 21.403 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 39.872 54.019 21.256 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 38.316 54.298 22.707 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 38.826 55.248 22.869 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 36.890 54.345 22.846 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 36.737 55.232 23.180 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 37.916 54.219 20.401 1.00 0.00 SBOX O ATOM 96 P GUA A 11 38.445 54.958 19.129 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 39.597 54.295 18.545 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 37.214 55.194 18.307 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 38.987 56.330 19.785 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 38.142 57.147 20.606 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 37.703 56.557 21.411 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 37.327 57.491 19.969 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 38.811 58.293 21.350 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 37.995 58.914 21.720 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 39.471 57.901 22.516 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 40.671 58.559 22.669 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 40.680 59.014 23.660 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 41.851 57.720 22.619 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 41.971 56.452 22.110 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 41.192 56.048 21.479 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 42.874 55.689 22.590 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 43.547 56.542 23.513 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 44.675 56.267 24.380 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 45.425 55.347 24.517 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 44.893 57.365 25.212 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 45.677 57.270 25.843 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 44.282 58.521 25.224 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 44.739 59.316 26.184 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 45.567 59.137 26.735 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 44.447 60.265 26.001 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 43.263 58.836 24.401 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 42.911 57.750 23.600 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 39.751 59.171 20.498 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 40.255 58.489 19.814 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 40.711 59.641 21.603 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 41.712 59.779 21.196 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 40.182 60.842 22.159 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 40.747 61.317 22.773 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 38.946 60.071 19.783 1.00 0.00 SBOX O ATOM 130 P ADE A 12 39.414 60.556 18.320 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 39.944 59.338 17.628 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 38.348 61.401 17.747 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 40.654 61.597 18.576 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 40.391 62.967 19.081 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 39.796 63.034 19.992 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 39.675 63.498 18.453 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 41.693 63.706 19.436 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 41.565 64.756 19.699 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 42.175 63.005 20.590 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 43.606 62.981 20.566 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 44.110 63.442 21.415 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 43.989 61.565 20.592 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 43.788 60.507 19.711 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 43.051 60.592 18.926 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 44.450 59.409 19.976 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 45.129 59.756 21.175 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 46.019 59.089 22.034 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 46.359 57.841 21.869 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 46.845 57.517 22.694 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 45.620 57.257 21.504 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 46.456 59.593 23.118 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 46.085 60.850 23.425 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 46.558 61.157 24.346 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 45.331 61.685 22.681 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 44.892 61.023 21.562 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 42.839 63.667 18.401 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 42.744 62.725 17.860 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 44.113 63.678 19.224 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 44.918 63.106 18.763 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 44.649 64.967 19.567 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 45.591 64.845 19.702 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 42.867 64.612 17.389 1.00 0.00 SBOX O ATOM 163 P GUA A 13 41.917 64.510 16.164 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 42.304 63.173 15.586 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 40.519 64.950 16.401 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 42.339 65.675 15.235 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 43.317 65.461 14.260 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 42.877 65.036 13.358 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 44.113 64.791 14.584 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 43.937 66.803 13.940 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 43.138 67.527 13.778 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 44.553 67.171 15.187 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 45.541 68.126 14.749 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 45.305 69.125 15.116 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 46.841 67.704 15.369 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 47.418 66.533 15.700 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 46.895 65.664 15.327 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 48.529 66.560 16.422 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 48.804 67.915 16.515 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 49.853 68.671 17.115 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 50.912 68.274 17.652 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 49.621 70.018 16.993 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 50.402 70.618 17.218 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 48.504 70.567 16.629 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 48.539 71.816 16.627 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 49.238 72.275 17.193 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 47.807 72.215 16.057 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 47.534 69.938 15.995 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 47.734 68.603 15.976 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 45.030 66.917 12.772 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 45.661 66.033 12.682 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 45.729 68.171 13.235 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 46.801 68.082 13.058 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 45.205 69.426 12.831 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 45.168 69.401 11.872 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 44.304 67.288 11.610 1.00 0.00 SBOX O ATOM 197 P ADE A 14 44.000 66.204 10.482 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 44.914 65.098 10.603 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 42.521 65.979 10.645 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 44.269 66.979 9.090 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 45.571 67.411 8.759 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 46.242 66.593 8.493 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 45.943 67.984 9.609 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 45.574 68.454 7.595 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 46.607 68.792 7.516 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 45.220 67.893 6.356 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 44.158 68.486 5.700 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 44.565 68.567 4.692 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 43.223 67.398 5.610 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 43.382 66.107 6.172 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 44.302 65.720 6.585 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 42.320 65.330 5.901 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 41.486 66.240 5.205 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 40.168 66.051 4.664 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 39.475 64.960 4.647 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 38.615 65.092 4.135 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 39.872 64.111 5.024 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 39.556 67.052 3.984 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 40.177 68.261 3.970 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 39.772 69.112 3.442 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 41.429 68.497 4.350 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 41.969 67.460 5.025 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 44.548 69.589 7.804 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 43.830 69.182 8.517 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 43.839 69.763 6.408 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 42.768 69.958 6.469 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 44.458 70.792 5.687 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 45.411 70.725 5.783 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 45.217 70.797 8.208 1.00 0.00 SBOX O ATOM 230 P GUA A 15 45.728 70.854 9.685 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 44.575 70.714 10.637 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 46.922 70.021 9.766 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 46.152 72.407 9.731 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 47.531 72.791 9.474 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 47.713 72.681 8.404 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 48.149 72.004 9.907 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 47.990 74.104 10.107 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 47.441 74.907 9.615 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 47.721 74.111 11.504 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 48.788 74.644 12.311 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 48.464 75.376 13.051 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 49.326 73.425 13.008 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 48.916 72.112 12.873 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 48.050 71.751 12.338 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 49.559 71.252 13.650 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 50.594 72.088 14.253 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 51.742 71.764 15.027 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 52.192 70.736 15.511 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 52.540 72.838 15.348 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 53.273 72.644 16.015 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 52.274 74.114 14.878 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 52.995 75.079 15.306 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 53.643 74.983 16.075 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 52.749 75.978 14.918 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 51.253 74.468 14.113 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 50.454 73.400 13.823 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 49.482 74.367 10.051 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 49.938 73.380 10.124 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 49.756 75.238 11.292 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 50.793 75.179 11.622 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 49.412 76.649 11.184 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 49.187 76.893 12.085 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 49.839 74.993 8.798 1.00 0.00 SBOX O ATOM 264 P GUA A 16 51.408 75.048 8.237 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 51.977 73.759 8.294 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 51.367 75.714 6.901 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 52.218 75.986 9.219 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 53.642 76.139 9.065 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 53.810 76.350 8.009 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 54.135 75.207 9.342 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 54.108 77.259 10.021 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 53.847 78.188 9.514 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 53.563 77.116 11.369 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 54.631 76.702 12.173 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 54.622 77.117 13.180 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 54.610 75.238 12.362 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 53.749 74.255 11.846 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 52.883 74.404 11.219 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 53.963 73.060 12.379 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 55.005 73.260 13.299 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 55.634 72.350 14.203 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 55.345 71.150 14.349 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 56.710 72.859 14.968 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 57.240 72.369 15.674 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 56.954 74.245 14.933 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 57.770 74.601 15.807 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 58.310 73.855 16.223 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 58.041 75.574 15.792 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 56.428 75.181 14.096 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 55.412 74.606 13.296 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 55.679 77.163 10.105 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 55.909 76.201 9.647 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 55.966 77.082 11.563 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 56.767 76.357 11.708 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 56.239 78.320 12.133 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 56.280 78.153 13.078 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 56.237 78.247 9.287 1.00 0.00 SBOX O ATOM 298 P URA A 17 57.614 78.034 8.520 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 57.316 76.861 7.626 1.00 0.00 SBOX ATOM 300 O2P URA A 17 58.048 79.338 7.977 1.00 0.00 SBOX ATOM 301 O5' URA A 17 58.734 77.479 9.543 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 59.537 78.306 10.325 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 58.920 78.989 10.910 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 60.270 78.809 9.695 1.00 0.00 SBOX ATOM 305 C4' URA A 17 60.354 77.507 11.284 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 61.046 78.275 11.629 1.00 0.00 SBOX ATOM 307 O4' URA A 17 59.584 76.909 12.267 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 60.217 75.695 12.777 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 60.354 75.753 13.856 1.00 0.00 SBOX ATOM 310 N1 URA A 17 59.434 74.454 12.335 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 58.489 74.420 11.283 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 58.229 75.321 10.748 1.00 0.00 SBOX ATOM 313 C5 URA A 17 57.766 73.284 11.168 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 57.001 73.240 10.406 1.00 0.00 SBOX ATOM 315 C4 URA A 17 57.987 72.026 11.840 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 57.415 70.967 11.704 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 58.948 72.181 12.729 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 59.044 71.345 13.288 1.00 0.00 SBOX ATOM 319 C2 URA A 17 59.679 73.279 13.020 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 60.525 73.297 13.951 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 61.296 76.427 10.747 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 60.675 75.780 10.127 1.00 0.00 SBOX ATOM 323 C2' URA A 17 61.580 75.713 12.074 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 61.936 74.700 11.886 1.00 0.00 SBOX ATOM 325 O2' URA A 17 62.453 76.536 12.914 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 62.508 76.223 13.820 1.00 0.00 SBOX ATOM 327 O3' URA A 17 62.480 76.848 10.018 1.00 0.00 SBOX O ATOM 328 P GUA A 18 63.185 75.885 8.932 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 62.259 75.688 7.838 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 64.452 76.508 8.601 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 63.532 74.540 9.683 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 64.426 74.327 10.699 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 64.212 74.861 11.625 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 65.446 74.452 10.334 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 64.377 72.800 10.935 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 65.105 72.542 11.704 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 63.108 72.419 11.422 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 62.736 71.090 11.008 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 62.536 70.475 11.885 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 61.468 71.109 10.206 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 61.252 72.091 9.266 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 61.755 73.046 9.217 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 60.152 71.921 8.627 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 59.687 70.694 9.049 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 58.564 69.889 8.663 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 57.732 70.181 7.782 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 58.542 68.678 9.217 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 57.732 68.102 9.039 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 59.379 68.286 10.207 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 59.203 67.030 10.404 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 58.569 66.556 9.777 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 59.903 66.522 10.925 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 60.399 68.965 10.632 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 60.483 70.175 10.074 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 64.676 71.892 9.688 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 64.112 72.217 8.812 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 63.981 70.618 10.259 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 63.777 70.006 9.381 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 64.820 69.855 11.106 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 65.398 69.533 10.410 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 66.027 71.678 9.423 1.00 0.00 SBOX O ATOM 362 P GUA A 19 66.824 72.236 8.186 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 66.044 72.192 6.956 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 67.395 73.508 8.576 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 67.957 71.154 8.190 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 68.079 70.147 7.151 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 69.139 69.997 6.948 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 67.608 70.622 6.290 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 67.331 68.838 7.532 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 67.797 68.294 8.354 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 65.962 69.157 7.838 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 65.112 68.228 7.185 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 64.580 67.586 7.887 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 64.086 68.985 6.294 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 64.380 69.954 5.419 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 65.378 70.324 5.234 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 63.293 70.471 4.834 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 62.213 69.757 5.458 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 60.805 69.794 5.278 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 60.108 70.611 4.674 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 60.153 68.793 5.850 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 59.153 68.730 5.718 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 60.780 67.786 6.568 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 59.993 66.875 7.049 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 59.023 66.799 6.777 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 60.525 66.105 7.429 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 62.058 67.841 6.913 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 62.739 68.814 6.304 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 67.308 67.883 6.362 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 67.273 68.515 5.475 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 65.990 67.175 6.432 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 65.561 66.993 5.446 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 65.983 66.094 7.348 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 66.716 65.542 7.065 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 68.412 66.995 6.354 1.00 0.00 SBOX O ATOM 396 P ADE A 20 68.770 65.987 5.135 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 68.080 66.560 3.975 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 70.199 65.620 5.209 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 67.861 64.811 5.714 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 68.348 63.907 6.741 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 68.537 64.631 7.533 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 69.391 63.598 6.680 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 67.518 62.704 7.113 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 68.048 62.267 7.959 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 66.210 63.097 7.408 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 65.314 62.076 6.948 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 65.218 61.400 7.797 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 64.066 62.687 6.362 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 64.027 63.868 5.618 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 64.806 64.612 5.550 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 62.891 64.001 4.901 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 62.149 62.851 5.281 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 60.846 62.380 5.071 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 59.894 63.033 4.446 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 58.983 62.600 4.492 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 60.052 63.932 4.012 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 60.362 61.219 5.604 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 61.254 60.568 6.369 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 60.886 59.642 6.785 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 62.493 60.933 6.749 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 62.894 62.094 6.088 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 67.539 61.669 5.986 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 67.743 62.256 5.091 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 66.023 61.294 5.875 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 65.825 61.677 4.874 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 65.668 59.915 5.788 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 65.101 59.540 6.466 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 68.519 60.605 6.099 1.00 0.00 SBOX O ATOM 429 P GUA A 21 68.788 59.655 7.356 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 69.198 58.375 6.780 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 69.750 60.372 8.203 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 67.412 59.433 8.073 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 67.194 58.761 9.234 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 68.013 58.845 9.948 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 67.303 57.694 9.044 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 65.933 59.147 9.994 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 66.348 59.973 10.571 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 64.977 59.725 9.103 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 63.705 59.147 9.323 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 62.816 59.742 9.113 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 63.443 58.061 8.389 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 64.338 57.204 7.904 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 65.412 57.280 7.988 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 63.820 56.176 7.229 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 62.448 56.223 7.621 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 61.299 55.375 7.377 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 61.227 54.342 6.742 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 60.146 55.758 7.942 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 59.313 55.187 7.935 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 60.094 56.891 8.668 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 58.920 57.083 9.098 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 58.217 56.440 8.763 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 58.731 57.929 9.617 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 61.001 57.841 8.753 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 62.227 57.389 8.305 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 65.272 58.120 10.928 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 65.451 57.152 10.460 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 63.880 58.650 10.836 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 63.172 57.898 11.185 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 63.666 59.748 11.676 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 62.817 60.131 11.447 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 65.795 58.125 12.264 1.00 0.00 SBOX O ATOM 463 P GUA A 22 65.484 56.880 13.191 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 66.015 55.635 12.489 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 66.113 57.121 14.507 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 63.977 56.716 13.265 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 63.084 57.554 14.026 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 63.309 58.602 13.831 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 63.265 57.401 15.090 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 61.558 57.282 13.768 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 60.917 58.033 14.230 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 61.270 57.149 12.439 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 60.242 56.205 12.362 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 59.319 56.626 11.962 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 60.655 55.081 11.507 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 61.941 54.878 11.001 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 62.793 55.474 11.293 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 62.040 53.875 10.135 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 60.658 53.428 10.034 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 60.064 52.347 9.296 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 60.533 51.445 8.627 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 58.674 52.209 9.458 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 58.224 51.562 8.826 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 57.988 52.984 10.359 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 56.713 52.665 10.482 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 56.388 51.882 9.934 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 56.117 53.244 11.057 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 58.477 53.987 11.021 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 59.803 54.198 10.857 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 61.145 55.966 14.411 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 61.799 55.195 14.004 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 59.765 55.807 13.787 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 59.559 54.744 13.904 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 58.784 56.670 14.309 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 57.932 56.256 14.149 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 61.279 55.859 15.789 1.00 0.00 SBOX O ATOM 497 P GUA A 23 61.468 54.378 16.454 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 62.638 53.740 15.801 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 61.534 54.620 17.864 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 60.093 53.588 16.284 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 58.908 53.962 16.925 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 58.626 55.014 16.881 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 58.863 53.771 17.997 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 57.740 53.291 16.194 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 56.790 53.702 16.537 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 57.751 53.456 14.781 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 57.131 52.304 14.273 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 56.250 52.550 13.680 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 58.157 51.583 13.423 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 59.500 51.846 13.280 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 59.938 52.733 13.712 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 60.147 51.091 12.419 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 59.120 50.217 12.107 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 59.046 49.070 11.159 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 59.900 48.688 10.298 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 57.837 48.389 11.110 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 57.825 47.557 10.539 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 56.741 48.832 11.718 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 55.674 48.116 11.506 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 55.570 47.169 11.170 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 54.905 48.588 11.962 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 56.711 49.953 12.451 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 57.908 50.560 12.573 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 57.752 51.732 16.406 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 58.647 51.246 16.016 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 56.707 51.380 15.373 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 56.783 50.320 15.131 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 55.368 51.739 15.822 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 55.024 51.177 16.520 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 57.668 51.287 17.779 1.00 0.00 SBOX O ATOM 531 P ADE A 24 57.818 49.743 18.122 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 56.740 49.533 19.141 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 57.878 48.936 16.923 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 59.239 49.730 18.868 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 59.848 50.912 19.275 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 59.183 51.649 19.726 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 60.242 51.415 18.392 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 61.039 50.639 20.192 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 61.543 51.586 20.384 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 60.621 50.218 21.491 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 61.185 48.960 21.892 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 61.518 49.168 22.909 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 60.189 47.836 21.966 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 58.875 47.778 21.550 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 58.421 48.565 20.966 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 58.175 46.735 21.995 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 59.106 46.008 22.664 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 59.128 44.826 23.477 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 58.185 43.991 23.776 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 58.405 43.194 24.355 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 57.283 44.124 23.341 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 60.247 44.373 24.025 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 61.382 45.010 23.724 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 62.312 44.630 24.121 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 61.495 46.182 23.125 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 60.331 46.626 22.596 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 62.080 49.632 19.589 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 61.616 48.993 18.838 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 62.359 48.773 20.916 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 62.504 47.708 20.740 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 63.512 49.222 21.633 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 63.623 50.145 21.394 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 63.245 50.194 19.127 1.00 0.00 SBOX O ATOM 564 P CYT A 25 64.002 49.449 17.929 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 63.023 49.089 16.899 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 65.212 50.243 17.603 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 64.407 48.143 18.604 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 65.636 47.840 19.241 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 65.801 48.610 19.995 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 66.422 47.991 18.501 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 65.669 46.413 19.642 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 66.618 46.156 20.114 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 64.608 46.130 20.535 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 64.225 44.835 20.442 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 64.500 44.351 21.379 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 62.755 44.721 20.284 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 61.972 45.633 19.599 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 62.428 46.390 18.978 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 60.616 45.459 19.586 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 59.899 46.027 19.010 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 60.134 44.347 20.344 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 58.877 44.149 20.152 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 58.481 43.261 20.423 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 58.322 44.791 19.603 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 60.904 43.421 20.815 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 62.213 43.532 20.812 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 62.947 42.645 21.265 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 65.541 45.327 18.513 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 64.711 45.480 17.824 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 65.026 44.151 19.352 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 64.361 43.539 18.743 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 66.093 43.415 19.996 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 65.799 42.501 20.004 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 66.759 45.117 17.787 1.00 0.00 SBOX O ATOM 595 P URA A 26 66.818 44.613 16.265 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 65.992 45.416 15.395 1.00 0.00 SBOX ATOM 597 O2P URA A 26 68.266 44.403 15.945 1.00 0.00 SBOX ATOM 598 O5' URA A 26 66.208 43.143 16.393 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 66.883 42.140 17.058 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 67.039 42.420 18.100 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 67.801 41.907 16.517 1.00 0.00 SBOX ATOM 602 C4' URA A 26 66.113 40.871 16.979 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 66.743 40.094 17.412 1.00 0.00 SBOX ATOM 604 O4' URA A 26 64.985 41.002 17.831 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 63.921 40.120 17.271 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 63.737 39.359 18.030 1.00 0.00 SBOX ATOM 607 N1 URA A 26 62.728 40.919 16.923 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 62.686 42.318 16.843 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 63.599 42.874 16.689 1.00 0.00 SBOX ATOM 610 C5 URA A 26 61.452 42.961 16.929 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 61.389 44.039 16.940 1.00 0.00 SBOX ATOM 612 C4 URA A 26 60.215 42.222 16.994 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 59.118 42.745 17.033 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 60.383 40.895 17.067 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 59.508 40.409 17.199 1.00 0.00 SBOX ATOM 616 C2 URA A 26 61.566 40.171 16.939 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 61.507 38.958 16.936 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 65.533 40.413 15.652 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 65.128 41.234 15.061 1.00 0.00 SBOX ATOM 620 C2' URA A 26 64.480 39.396 16.048 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 63.694 39.279 15.302 1.00 0.00 SBOX ATOM 622 O2' URA A 26 65.016 38.141 16.385 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 64.234 37.593 16.484 1.00 0.00 SBOX ATOM 624 O3' URA A 26 66.516 39.712 14.907 1.00 0.00 SBOX O ATOM 625 P GUA A 27 66.690 39.928 13.407 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 66.880 41.356 13.158 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 67.794 38.990 13.144 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 65.383 39.429 12.689 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 65.310 38.059 12.418 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 65.482 37.451 13.307 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 65.916 37.740 11.570 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 63.898 37.526 12.037 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 63.882 36.465 11.789 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 63.072 37.509 13.260 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 61.787 38.007 12.830 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 61.047 37.377 13.323 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 61.530 39.517 13.241 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 62.343 40.598 13.236 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 63.407 40.583 13.051 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 61.678 41.669 13.683 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 60.384 41.298 13.758 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 59.108 41.947 14.078 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 58.850 43.076 14.370 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 57.992 41.157 14.102 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 57.137 41.622 14.372 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 58.020 39.910 13.720 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 56.915 39.235 13.612 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 56.014 39.535 13.954 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 56.941 38.365 13.100 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 59.120 39.236 13.297 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 60.243 39.932 13.459 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 63.135 38.251 10.927 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 63.435 39.297 10.859 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 61.672 38.033 11.282 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 61.069 38.874 10.939 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 61.032 36.836 10.873 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 60.143 36.784 11.232 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 63.325 37.769 9.603 1.00 0.00 SBOX O ATOM 659 P GUA A 28 62.928 38.594 8.304 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 63.370 39.981 8.576 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 63.420 37.895 7.075 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 61.319 38.621 8.347 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 60.434 39.504 7.586 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 60.348 39.176 6.550 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 60.834 40.518 7.553 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 59.102 39.517 8.374 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 58.688 38.510 8.429 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 59.297 40.026 9.726 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 58.076 40.632 10.136 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 57.706 40.034 10.969 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 58.387 41.925 10.652 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 59.523 42.588 10.487 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 60.373 42.397 9.848 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 59.589 43.746 11.111 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 58.289 43.852 11.648 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 57.667 44.912 12.376 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 58.047 45.982 12.827 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 56.336 44.722 12.493 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 55.769 45.478 12.851 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 55.674 43.643 12.133 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 54.395 43.733 12.150 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 53.853 44.384 12.701 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 53.943 42.941 11.716 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 56.183 42.610 11.569 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 57.499 42.787 11.304 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 58.063 40.442 7.791 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 58.628 41.364 7.657 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 57.131 40.536 8.969 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 56.525 41.438 8.880 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 56.312 39.460 9.139 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 55.395 39.743 9.146 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 57.562 39.912 6.564 1.00 0.00 SBOX O ATOM 693 P CYT A 29 57.453 40.815 5.283 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 58.723 41.584 5.149 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 57.025 39.949 4.140 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 56.296 41.778 5.547 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 54.931 41.321 5.709 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 54.839 40.380 6.251 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 54.488 41.314 4.713 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 54.122 42.240 6.668 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 53.064 41.978 6.651 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 54.615 42.281 7.961 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 54.536 43.618 8.404 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 54.013 43.628 9.359 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 55.873 44.308 8.504 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 56.983 43.946 7.727 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 56.909 43.038 7.147 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 58.052 44.784 7.676 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 58.882 44.448 7.073 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 58.143 45.843 8.660 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 59.302 46.382 8.888 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 59.428 47.210 9.453 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 60.158 45.905 8.642 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 57.068 46.256 9.345 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 55.921 45.599 9.091 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 54.900 46.141 9.536 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 54.079 43.692 6.077 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 55.089 43.935 5.748 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 53.641 44.355 7.395 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 53.810 45.426 7.506 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 52.292 44.183 7.843 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 52.190 44.574 8.714 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 53.086 43.842 5.027 1.00 0.00 SBOX O ATOM 724 P CYT A 30 53.069 44.881 3.877 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 54.446 45.142 3.437 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 52.002 44.704 2.858 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 52.521 46.011 4.848 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 52.790 47.327 4.721 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 52.328 47.714 3.813 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 53.877 47.398 4.730 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 52.428 48.074 6.004 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 51.367 47.883 6.161 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 53.285 47.726 7.121 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 53.822 48.894 7.640 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 53.820 48.928 8.729 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 55.253 49.071 7.312 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 55.974 48.210 6.561 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 55.464 47.383 6.092 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 57.314 48.361 6.424 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 57.978 47.781 5.800 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 57.890 49.405 7.132 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 59.158 49.577 6.978 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 59.484 50.260 7.646 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 59.726 48.812 6.643 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 57.335 50.245 7.920 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 55.959 50.038 8.033 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 55.432 50.764 8.869 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 52.662 49.588 5.769 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 53.601 49.588 5.215 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 52.932 50.061 7.183 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 53.486 51.000 7.187 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 51.708 50.141 7.916 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 51.734 50.798 8.615 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 51.567 50.266 5.119 1.00 0.00 SBOX O ATOM 755 P CYT A 31 51.834 51.266 3.902 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 52.925 50.713 3.071 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 50.508 51.547 3.278 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 52.328 52.551 4.722 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 51.451 53.244 5.642 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 51.084 52.462 6.307 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 50.593 53.720 5.168 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 52.189 54.203 6.588 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 51.358 54.645 7.137 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 53.178 53.563 7.341 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 54.211 54.463 7.648 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 54.317 54.580 8.727 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 55.487 53.836 7.285 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 55.586 52.817 6.427 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 54.721 52.233 6.149 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 56.760 52.484 5.920 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 56.805 51.642 5.246 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 57.905 53.228 6.314 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 59.097 52.810 5.983 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 59.844 53.279 6.474 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 59.166 51.972 5.423 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 57.800 54.216 7.177 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 56.626 54.594 7.637 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 56.581 55.595 8.348 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 53.008 55.276 5.798 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 53.586 54.686 5.087 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 53.877 55.806 6.884 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 54.738 56.247 6.380 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 53.271 56.658 7.862 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 53.866 56.885 8.580 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 52.181 56.254 5.182 1.00 0.00 SBOX O ATOM 786 P GUA A 32 52.643 56.970 3.883 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 52.896 55.988 2.824 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 51.590 57.969 3.656 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 53.960 57.688 4.299 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 53.978 58.852 5.115 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 53.792 58.503 6.131 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 53.232 59.597 4.842 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 55.418 59.458 5.237 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 55.335 60.493 5.568 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 56.323 58.725 6.143 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 57.616 58.832 5.586 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 58.409 59.212 6.230 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 57.974 57.451 5.252 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 57.228 56.369 4.783 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 56.159 56.311 4.932 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 57.851 55.362 4.276 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 59.175 55.882 4.292 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 60.400 55.348 3.719 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 60.581 54.298 3.132 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 61.500 56.199 3.775 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 62.360 55.817 3.407 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 61.491 57.401 4.357 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 62.590 57.993 4.507 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 63.441 57.554 4.185 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 62.473 58.819 5.075 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 60.448 57.932 4.982 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 59.270 57.183 4.829 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 56.102 59.431 3.880 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 56.024 58.386 3.582 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 57.518 59.656 4.311 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 58.178 59.217 3.563 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 57.870 61.013 4.719 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 58.738 60.951 5.126 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 55.614 60.331 2.931 1.00 0.00 SBOX O ATOM 820 P ADE A 33 55.754 59.903 1.416 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 56.962 59.178 1.142 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 54.510 59.487 0.937 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 55.967 61.347 0.910 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 56.873 62.212 1.550 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 57.763 61.646 1.824 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 56.477 62.636 2.473 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 57.297 63.398 0.723 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 56.530 64.172 0.712 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 58.514 64.035 1.267 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 59.312 64.430 0.266 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 59.106 65.414 -0.155 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 60.710 64.167 0.629 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 61.785 65.044 0.498 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 61.596 66.067 0.209 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 62.962 64.530 0.958 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 62.629 63.230 1.366 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 63.335 62.233 1.979 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 64.587 62.308 2.439 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 65.035 61.496 2.839 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 65.093 63.181 2.460 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 62.794 60.999 2.204 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 61.530 60.863 1.836 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 61.046 59.936 2.105 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 60.739 61.762 1.337 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 61.308 62.979 1.158 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 57.615 63.017 -0.801 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 57.557 61.939 -0.955 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 59.076 63.482 -0.876 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 59.633 62.551 -0.772 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 59.339 64.083 -2.105 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 58.727 64.809 -2.250 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 56.718 63.613 -1.797 1.00 0.00 SBOX O ATOM 853 P URA A 34 56.275 65.141 -1.915 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 57.509 65.909 -2.013 1.00 0.00 SBOX ATOM 855 O2P URA A 34 55.395 65.038 -3.066 1.00 0.00 SBOX ATOM 856 O5' URA A 34 55.415 65.661 -0.661 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 54.196 65.012 -0.228 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 54.264 64.937 0.857 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 54.232 63.981 -0.579 1.00 0.00 SBOX ATOM 860 C4' URA A 34 52.806 65.664 -0.502 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 52.912 66.723 -0.270 1.00 0.00 SBOX ATOM 862 O4' URA A 34 52.473 65.435 -1.880 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 51.064 64.975 -2.015 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 50.506 65.680 -2.631 1.00 0.00 SBOX ATOM 865 N1 URA A 34 51.062 63.606 -2.691 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 52.234 62.935 -3.054 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 53.194 63.289 -2.709 1.00 0.00 SBOX ATOM 868 C5 URA A 34 52.163 61.740 -3.684 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 53.033 61.115 -3.815 1.00 0.00 SBOX ATOM 870 C4 URA A 34 50.877 61.144 -4.102 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 50.803 60.104 -4.773 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 49.719 61.766 -3.612 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 48.808 61.393 -3.837 1.00 0.00 SBOX ATOM 874 C2 URA A 34 49.827 63.012 -2.959 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 48.779 63.528 -2.645 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 51.661 65.091 0.339 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 51.876 64.032 0.476 1.00 0.00 SBOX ATOM 878 C2' URA A 34 50.453 65.240 -0.661 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 49.657 64.520 -0.468 1.00 0.00 SBOX ATOM 880 O2' URA A 34 49.817 66.504 -0.483 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 49.690 66.566 0.466 1.00 0.00 SBOX ATOM 882 O3' URA A 34 51.553 65.839 1.515 1.00 0.00 SBOX O ATOM 883 P GUA A 35 51.800 65.112 2.927 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 50.564 65.367 3.738 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 52.340 63.699 2.744 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 53.004 66.023 3.483 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 53.494 65.862 4.850 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 52.703 65.500 5.508 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 53.855 66.849 5.139 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 54.772 64.935 4.982 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 54.433 63.983 5.392 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 55.474 64.835 3.697 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 56.881 64.977 3.970 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 57.356 64.078 3.576 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 57.298 66.244 3.334 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 56.480 67.100 2.589 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 55.401 67.061 2.581 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 57.124 67.974 1.917 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 58.503 67.825 2.322 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 59.760 68.404 1.883 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 60.033 69.135 0.956 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 60.850 67.998 2.558 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 61.760 68.395 2.373 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 60.820 66.872 3.289 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 61.935 66.504 3.667 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 62.749 66.986 3.315 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 62.000 65.680 4.248 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 59.778 66.122 3.592 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 58.619 66.689 3.161 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 55.726 65.568 6.003 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 55.763 66.656 6.054 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 57.078 64.951 5.522 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 57.897 65.625 5.770 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 57.185 63.604 5.868 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 57.035 63.582 6.816 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 55.308 65.030 7.296 1.00 0.00 SBOX O ATOM 917 P ADE A 36 56.219 65.186 8.610 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 57.236 66.271 8.450 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 55.245 65.336 9.719 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 56.955 63.690 8.671 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 56.247 62.482 8.951 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 55.762 62.138 8.038 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 55.500 62.720 9.709 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 57.165 61.314 9.446 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 56.574 60.406 9.570 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 58.278 61.149 8.545 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 59.480 61.108 9.270 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 60.066 60.191 9.205 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 60.247 62.353 8.996 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 59.946 63.336 8.021 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 59.032 63.366 7.446 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 60.838 64.278 7.920 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 61.904 63.828 8.748 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 63.117 64.344 9.155 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 63.678 65.410 8.606 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 64.676 65.548 8.677 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 63.140 65.783 7.837 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 63.898 63.781 10.120 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 63.420 62.644 10.588 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 64.159 62.107 11.164 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 62.289 62.036 10.287 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 61.523 62.685 9.364 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 57.696 61.662 10.793 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 57.823 62.741 10.877 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 59.049 60.940 10.725 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 59.735 61.378 11.450 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 58.858 59.639 11.088 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 58.074 59.567 11.638 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 56.780 61.226 11.778 1.00 0.00 SBOX O ATOM 950 P ADE A 37 56.833 61.865 13.240 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 56.481 63.243 13.100 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 56.098 61.059 14.222 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 58.384 61.763 13.603 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 58.988 60.624 14.280 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 58.868 59.718 13.687 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 58.434 60.567 15.217 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 60.488 60.877 14.570 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 60.930 59.980 15.004 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 61.342 61.171 13.424 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 62.203 62.254 13.841 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 63.197 61.892 13.578 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 61.860 63.558 13.220 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 60.759 64.012 12.539 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 59.877 63.392 12.474 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 60.870 65.259 12.045 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 62.131 65.647 12.459 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 63.009 66.777 12.332 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 62.765 67.774 11.578 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 63.469 68.484 11.434 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 61.888 67.782 11.077 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 64.228 66.899 12.897 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 64.573 65.931 13.700 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 65.420 66.073 14.355 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 63.898 64.763 13.879 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 62.679 64.686 13.212 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 60.613 61.954 15.646 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 59.861 62.732 15.517 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 62.092 62.319 15.369 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 62.149 63.365 15.671 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 62.975 61.451 16.016 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 62.417 61.334 16.788 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 60.618 61.459 17.052 1.00 0.00 SBOX O ATOM 983 P ADE A 38 59.826 62.131 18.312 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 58.519 62.590 17.824 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 59.878 61.288 19.523 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 60.761 63.375 18.408 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 62.105 63.359 19.003 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 62.616 62.481 18.606 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 61.967 63.094 20.051 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 62.824 64.698 18.760 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 63.870 64.621 19.057 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 62.790 65.065 17.381 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 62.601 66.515 17.258 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 63.347 66.933 16.582 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 61.353 66.709 16.562 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 60.194 65.936 16.509 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 60.022 65.083 17.148 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 59.366 66.303 15.556 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 59.969 67.486 15.088 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 59.622 68.523 14.132 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 58.499 68.637 13.469 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 58.428 69.357 12.764 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 57.877 67.842 13.466 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 60.348 69.639 13.858 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 61.458 69.739 14.590 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 62.118 70.592 14.536 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 61.862 68.849 15.500 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 61.129 67.780 15.742 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 62.163 65.937 19.537 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 61.079 65.943 19.654 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 62.646 67.101 18.651 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 61.941 67.927 18.751 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 63.969 67.603 18.922 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 64.123 67.383 19.844 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 62.816 65.973 20.760 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 62.278 66.921 21.929 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 60.998 66.351 22.481 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 63.362 67.318 22.817 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 61.810 68.291 21.289 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 62.444 69.517 21.554 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 63.482 69.494 21.222 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 62.367 69.625 22.636 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 61.899 70.731 20.745 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 62.614 71.550 20.821 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 61.683 70.392 19.354 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 60.689 71.214 18.805 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 61.075 72.131 18.361 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 59.764 70.474 17.919 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 59.343 69.190 18.307 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 59.937 68.625 19.011 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 58.204 68.692 17.736 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 57.894 67.697 18.018 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 57.488 69.469 16.785 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 56.473 68.960 16.212 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 56.026 69.544 15.520 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 56.193 68.001 16.367 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 57.866 70.663 16.460 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 58.958 71.157 17.012 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 59.183 72.380 16.773 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 60.537 71.170 21.237 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 59.974 70.277 21.512 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 59.845 71.650 19.939 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 58.820 71.281 19.884 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 59.789 73.102 19.685 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 59.208 73.599 20.266 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 60.591 72.179 22.187 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 59.433 72.444 23.178 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 58.913 71.074 23.482 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 60.166 73.200 24.249 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 58.439 73.410 22.401 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 58.627 74.786 22.345 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 59.542 75.181 21.904 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 58.538 75.205 23.347 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 57.647 75.525 21.432 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 57.880 76.589 21.381 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 57.735 75.035 20.128 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 56.495 75.134 19.450 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 56.518 75.861 18.638 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 56.060 73.817 18.873 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 56.281 72.703 19.598 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 57.007 72.773 20.395 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 55.711 71.549 19.255 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 55.842 70.593 19.739 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 54.924 71.537 18.134 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 54.486 70.409 17.759 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 53.891 70.310 16.949 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 54.679 69.595 18.325 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 54.616 72.633 17.426 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 55.197 73.779 17.732 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 54.813 74.775 17.212 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 56.239 75.442 21.938 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 55.870 74.441 22.162 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 55.502 75.662 20.534 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 54.607 75.055 20.667 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 55.247 77.000 20.250 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 54.297 77.002 20.112 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 55.885 76.365 22.947 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 54.631 76.136 23.837 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 54.780 74.817 24.439 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 54.491 77.265 24.818 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 53.386 76.090 22.811 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 52.853 77.307 22.308 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 53.528 78.090 21.960 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 52.277 77.739 23.126 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 51.822 76.990 21.209 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 51.457 77.945 20.831 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 52.478 76.285 20.134 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 51.526 75.460 19.482 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 51.557 75.778 18.440 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 51.834 73.961 19.529 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 52.414 73.387 20.671 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 52.774 73.922 21.538 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 52.544 72.072 20.684 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 53.094 71.628 21.500 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 51.984 71.281 19.664 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 51.950 69.972 19.790 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 51.368 69.501 19.113 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 52.519 69.624 20.549 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 51.206 71.791 18.705 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 51.160 73.152 18.595 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 50.429 73.626 17.742 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 50.552 76.236 21.453 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 50.752 75.375 22.091 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 50.168 75.771 20.074 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 49.453 74.956 20.184 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 49.555 76.723 19.229 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 50.288 77.231 18.875 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 49.427 76.959 21.940 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 48.499 76.455 23.096 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 49.340 75.517 23.935 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 47.776 77.566 23.749 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 47.483 75.493 22.160 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 46.577 75.964 21.127 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 47.187 76.532 20.424 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 45.915 76.708 21.571 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 45.966 74.783 20.387 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 45.303 75.085 19.577 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 46.995 74.058 19.651 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 46.792 72.621 19.861 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 46.777 72.005 18.962 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 47.948 72.066 20.659 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 48.809 72.670 21.566 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 48.870 73.724 21.797 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 49.466 71.773 22.246 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 49.057 70.504 21.737 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 49.477 69.131 21.961 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 50.356 68.688 22.774 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 48.785 68.236 21.156 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 49.078 67.270 21.198 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 47.897 68.572 20.184 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 47.385 67.576 19.537 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 47.566 66.600 19.719 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 46.790 67.764 18.743 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 47.479 69.808 19.919 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 48.160 70.723 20.692 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 45.194 73.794 21.234 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 45.765 73.734 22.161 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 45.379 72.493 20.376 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 45.348 71.620 21.029 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 44.497 72.492 19.231 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 44.499 71.618 18.832 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 43.837 74.201 21.403 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 42.934 73.476 22.533 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 43.615 73.676 23.814 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 41.552 74.040 22.327 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 42.987 71.894 22.214 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 42.061 71.275 21.275 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 42.171 71.849 20.354 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 41.025 71.335 21.609 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 42.308 69.767 21.100 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 41.669 69.468 20.269 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 43.657 69.450 20.753 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 44.125 68.305 21.502 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 44.584 67.648 20.763 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 45.169 68.580 22.522 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 45.642 69.727 23.094 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 45.166 70.668 22.857 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 46.606 69.518 23.962 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 46.829 68.203 23.836 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 47.861 67.359 24.512 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 48.765 67.707 25.229 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 47.757 66.059 24.242 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 48.451 65.481 24.693 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 46.756 65.526 23.470 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 46.624 64.234 23.430 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 47.310 63.680 23.922 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 45.772 63.904 22.999 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 45.850 66.203 22.771 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 45.964 67.539 22.959 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 42.039 68.953 22.292 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 42.428 69.385 23.214 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 42.876 67.670 22.039 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 43.011 67.157 22.991 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 42.511 66.663 21.066 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 43.164 65.962 21.002 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 40.651 68.636 22.452 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 40.222 67.895 23.770 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 40.915 68.530 24.904 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 38.776 67.815 23.797 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 40.750 66.422 23.714 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 40.162 65.382 22.988 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 40.492 65.649 21.984 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 39.083 65.335 23.138 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 40.880 64.072 23.375 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 40.604 63.377 22.582 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 42.317 64.384 23.345 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 42.991 63.541 24.240 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 43.549 62.832 23.628 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 43.744 64.355 25.222 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 43.437 65.708 25.568 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 42.552 66.147 25.130 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 44.308 66.489 26.214 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 44.218 67.565 26.231 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 45.428 65.824 26.719 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 46.350 66.550 27.126 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 47.129 66.119 27.602 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 46.092 67.527 27.142 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 45.687 64.498 26.744 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 44.808 63.745 25.963 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 44.953 62.504 25.903 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 40.501 63.551 24.757 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 40.429 64.387 25.453 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 41.828 62.734 24.923 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 41.968 62.580 25.994 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 41.792 61.402 24.292 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 42.555 60.883 24.556 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 39.283 62.770 24.858 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 38.542 62.560 26.192 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 38.201 63.887 26.698 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 37.550 61.450 25.952 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 39.563 61.826 27.137 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 39.999 60.448 27.035 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 40.393 60.292 26.030 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 39.135 59.835 27.291 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 41.218 60.244 27.903 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 41.472 59.188 27.816 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 42.401 60.972 27.580 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 43.013 61.444 28.813 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 44.090 61.274 28.821 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 42.804 62.940 28.922 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 41.708 63.718 28.718 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 40.717 63.395 28.433 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 41.896 65.026 28.681 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 43.244 65.080 29.186 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 44.061 66.146 29.616 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 43.840 67.442 29.501 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 44.557 68.118 29.724 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 43.014 67.725 28.992 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 45.236 65.937 30.195 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 45.548 64.679 30.352 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 46.462 64.540 30.909 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 44.947 63.626 29.927 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 43.736 63.874 29.436 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 40.872 60.418 29.383 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 40.350 61.374 29.437 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 42.315 60.669 29.973 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 42.263 61.250 30.893 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 43.046 59.512 30.173 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 43.873 59.772 30.584 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 40.193 59.318 29.863 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 39.509 59.290 31.300 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 38.382 60.228 31.214 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 39.214 57.907 31.690 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 40.599 59.931 32.253 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 41.531 59.000 32.819 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 42.115 58.512 32.039 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 40.858 58.262 33.255 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 42.408 59.695 33.891 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 43.135 58.988 34.291 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 43.119 60.824 33.384 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 42.830 61.961 34.140 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 43.791 62.405 34.398 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 41.964 62.984 33.515 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 40.695 62.924 33.069 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 40.257 61.949 32.914 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 40.173 64.079 32.703 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 41.267 64.926 32.874 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 41.591 66.264 32.529 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 40.882 67.117 31.768 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 41.326 67.996 31.545 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 40.003 66.890 31.326 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 42.772 66.861 32.867 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 43.709 66.026 33.273 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 44.703 66.437 33.370 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 43.592 64.751 33.467 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 42.358 64.297 33.267 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 41.713 60.126 35.159 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 40.651 60.317 35.005 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 42.379 61.454 35.484 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 41.695 62.146 35.974 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 43.540 61.523 36.316 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 43.356 60.942 37.058 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 41.763 59.309 36.298 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 42.039 57.710 36.355 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 41.559 57.291 37.729 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 41.458 57.123 35.135 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 43.651 57.504 36.286 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 44.276 56.324 36.715 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 44.305 55.514 35.986 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 43.911 56.036 37.700 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 45.755 56.766 36.888 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 46.340 55.892 37.176 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 46.363 57.370 35.781 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 47.369 58.207 36.252 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 48.354 58.000 35.836 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 47.162 59.582 35.784 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 46.132 59.818 34.905 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 45.501 59.002 34.586 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 46.036 61.039 34.331 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 45.288 61.186 33.566 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 46.987 62.076 34.580 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 46.900 63.169 33.917 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 47.567 63.927 33.939 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 46.177 63.331 33.231 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 47.963 61.933 35.407 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 48.129 60.650 35.959 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 49.128 60.515 36.656 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 45.948 57.633 38.138 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 45.220 58.415 37.923 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 47.357 58.035 37.816 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 47.705 58.973 38.247 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 48.266 56.974 38.207 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 49.210 57.149 38.192 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 45.714 56.910 39.312 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 45.435 57.686 40.678 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 44.234 58.475 40.541 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 45.574 56.730 41.771 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 46.607 58.758 40.889 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 47.882 58.484 41.372 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 48.238 57.669 40.741 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 47.826 58.071 42.379 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 48.980 59.630 41.393 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 49.893 59.210 41.816 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 49.458 60.174 40.170 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 49.635 61.604 40.313 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 50.534 62.032 39.870 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 48.515 62.311 39.574 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 47.365 61.676 39.150 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 47.203 60.693 39.567 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 46.552 62.244 38.257 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 45.632 61.787 37.924 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 46.867 63.575 37.819 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 46.025 64.178 37.032 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 46.313 65.142 36.950 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 45.250 63.677 36.622 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 47.773 64.313 38.389 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 48.628 63.662 39.229 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 49.554 64.359 39.606 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 48.520 60.812 42.267 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 47.519 61.168 42.019 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 49.619 61.857 41.845 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 49.265 62.882 41.951 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 50.938 61.674 42.356 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 51.453 62.466 42.183 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 48.686 60.414 43.608 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 47.962 61.269 44.788 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 46.520 61.174 44.584 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 48.461 60.752 46.082 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 48.426 62.758 44.647 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 49.704 63.169 45.084 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 50.509 62.537 44.710 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 49.694 63.026 46.164 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 50.009 64.704 44.821 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 51.031 64.993 45.068 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 50.067 65.056 43.422 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 49.403 66.314 43.347 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 50.025 67.033 42.813 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 48.151 66.184 42.616 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 47.468 64.977 42.440 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 47.692 64.083 43.004 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 46.565 65.054 41.463 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 46.567 66.465 41.168 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 45.812 67.307 40.327 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 44.860 66.968 39.468 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 44.447 67.686 38.890 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 44.691 66.002 39.227 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 46.108 68.642 40.187 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 47.077 69.087 40.917 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 47.152 70.159 40.808 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 47.725 68.461 41.803 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 47.537 67.108 41.895 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 48.949 65.572 45.472 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 47.949 65.190 45.267 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 49.148 66.875 44.709 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 48.274 67.523 44.782 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 50.308 67.610 45.041 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 50.275 67.799 45.982 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 49.231 65.748 46.875 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 48.096 66.127 47.869 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 47.131 65.013 47.903 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 48.767 66.585 49.049 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 47.427 67.374 47.161 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 46.013 67.326 46.708 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 45.334 67.338 47.560 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 45.854 66.474 46.046 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 45.649 68.597 45.883 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 46.262 69.445 46.188 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 45.829 68.353 44.420 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 44.734 69.058 43.773 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 45.074 69.812 43.064 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 44.047 68.048 43.048 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 44.062 66.643 43.126 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 44.785 66.043 43.660 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 43.151 66.098 42.486 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 42.469 67.173 41.848 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 41.299 67.341 40.930 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 40.733 66.497 40.326 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 40.992 68.652 40.573 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 40.478 68.741 39.709 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 41.634 69.703 41.161 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 41.343 70.829 40.700 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 40.603 70.777 40.015 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 41.892 71.613 41.021 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 42.626 69.649 42.007 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 42.988 68.350 42.258 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 44.168 68.839 46.102 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 43.581 67.925 46.009 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 43.944 69.777 44.926 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 42.892 69.817 44.645 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 44.454 71.057 45.031 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 43.820 71.773 44.946 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 43.758 69.434 47.349 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 42.917 68.669 48.477 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 43.318 67.251 48.530 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 43.169 69.493 49.697 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 41.370 68.790 47.970 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 40.379 67.970 48.524 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 40.478 68.139 49.597 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 40.607 66.919 48.349 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 38.924 68.372 48.002 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 38.186 67.596 48.207 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 38.426 69.511 48.741 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 37.920 70.531 47.899 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 36.881 70.833 48.032 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 38.878 71.684 48.180 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 40.157 71.649 48.732 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 40.593 70.691 48.973 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 40.702 72.816 48.741 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 39.784 73.727 48.284 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 39.662 75.121 48.122 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 40.551 76.014 48.431 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 40.234 76.972 48.390 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 41.482 75.753 48.724 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 38.573 75.732 47.698 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 37.636 74.901 47.144 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 36.766 75.378 46.717 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 37.574 73.586 47.301 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 38.677 73.014 47.923 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 38.778 68.728 46.515 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 39.784 68.909 46.136 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 37.943 69.991 46.483 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 38.440 70.741 45.868 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 36.633 69.816 46.048 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 36.581 68.952 45.632 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 38.201 67.743 45.717 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 38.716 67.555 44.225 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 40.141 67.912 44.136 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 38.319 66.186 43.877 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 37.755 68.644 43.466 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 38.201 69.514 42.461 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 37.957 69.051 41.505 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 39.264 69.751 42.510 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 37.526 70.817 42.412 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 36.448 70.705 42.296 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 37.805 71.408 43.694 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 38.063 72.840 43.551 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 37.413 73.385 44.235 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 39.506 73.152 43.967 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 40.529 72.235 44.265 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 40.504 71.179 44.039 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 41.578 72.779 44.911 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 41.197 74.159 45.021 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 41.778 75.346 45.487 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 42.984 75.320 45.989 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 43.400 76.169 46.346 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 43.468 74.458 45.786 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 41.242 76.524 45.324 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 40.093 76.567 44.740 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 39.611 77.530 44.663 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 39.430 75.583 44.194 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 40.023 74.369 44.338 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 38.117 71.839 41.395 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 39.201 71.746 41.322 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 37.722 73.132 42.077 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 38.199 74.047 41.725 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 36.332 73.404 42.018 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 35.975 72.855 41.316 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 37.424 71.860 40.101 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 38.181 72.157 38.708 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 39.311 71.202 38.654 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 37.129 72.085 37.667 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 38.707 73.645 38.860 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 37.771 74.727 38.675 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 36.896 74.607 39.313 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 37.509 74.801 37.620 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 38.482 76.020 39.021 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 37.932 76.930 38.782 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 38.741 76.074 40.486 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 40.077 76.604 40.591 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 40.034 77.400 41.334 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 41.133 75.663 41.096 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 41.118 74.234 40.945 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 40.378 73.736 40.336 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 42.155 73.686 41.547 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 42.853 74.728 42.167 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 44.022 74.864 43.046 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 44.706 73.871 43.648 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 45.426 74.112 44.314 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 44.616 72.907 43.362 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 44.462 76.078 43.361 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 43.820 77.121 42.846 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 44.253 78.092 43.037 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 42.661 77.154 42.157 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 42.192 75.913 41.863 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 39.777 76.251 38.205 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 40.241 75.267 38.141 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 40.457 77.164 39.240 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 41.542 77.073 39.195 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 40.106 78.531 39.299 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 39.749 78.820 38.457 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 39.707 76.864 36.967 1.00 0.00 SBOX O ATOM 1502 P URA A 54 40.658 76.392 35.831 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 40.040 75.101 35.501 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 40.756 77.418 34.779 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 42.099 76.061 36.517 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 43.145 76.970 36.710 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 42.811 77.935 37.090 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 43.608 77.014 35.725 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 44.217 76.558 37.770 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 44.642 77.448 38.234 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 43.664 75.678 38.763 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 44.608 74.580 39.025 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 44.935 74.592 40.064 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 44.058 73.198 38.695 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 43.313 72.925 37.582 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 42.826 73.758 37.097 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 43.142 71.658 37.137 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 42.516 71.394 36.297 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 43.512 70.518 37.920 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 43.172 69.356 37.610 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 44.263 70.833 39.041 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 44.629 70.088 39.618 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 44.648 72.116 39.474 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 45.574 72.255 40.264 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 45.228 75.718 37.098 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 44.658 75.044 36.458 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 45.877 74.934 38.188 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 46.221 74.029 37.687 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 46.762 75.616 39.024 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 47.705 75.491 38.889 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 46.211 76.481 36.372 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 46.948 75.911 35.064 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 45.970 75.307 34.190 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 47.876 76.928 34.516 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 47.856 74.774 35.800 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 49.090 75.208 36.480 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 48.965 76.226 36.849 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 49.865 75.275 35.717 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 49.721 74.260 37.487 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 50.403 74.767 38.169 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 48.768 73.554 38.263 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 49.180 72.240 38.423 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 49.024 72.089 39.492 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 48.314 71.210 37.744 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 47.342 71.471 36.827 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 47.134 72.477 36.495 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 46.765 70.403 36.404 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 47.442 69.332 37.006 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 47.328 67.845 37.015 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 46.490 67.072 36.551 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 48.290 67.289 37.791 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 48.244 66.286 37.904 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 49.109 67.927 38.668 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 49.928 67.174 39.377 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 49.899 66.165 39.354 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 50.574 67.716 39.933 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 49.371 69.258 38.640 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 48.488 69.862 37.792 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 50.552 73.148 36.788 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 49.966 72.655 36.014 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 50.614 72.135 37.958 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 50.899 71.128 37.652 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 51.507 72.619 39.038 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 51.818 71.880 39.567 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 51.885 73.505 36.365 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 52.818 72.618 35.388 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 52.028 72.289 34.175 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 54.048 73.310 35.151 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 53.043 71.263 36.196 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 54.089 71.126 37.211 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 53.843 71.811 38.022 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 54.980 71.528 36.730 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 54.222 69.773 37.763 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 55.004 69.812 38.522 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 53.019 69.126 38.239 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 53.139 67.749 37.810 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 53.137 67.116 38.698 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 52.042 67.447 36.896 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 51.423 68.294 36.066 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 51.757 69.321 36.037 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 50.427 67.796 35.348 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 50.419 66.454 35.795 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 49.483 65.398 35.487 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 48.521 65.322 34.774 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 49.933 64.193 36.046 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 49.304 63.415 35.908 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 51.017 64.017 36.811 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 51.162 62.760 37.156 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 50.515 62.093 36.760 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 52.068 62.449 37.475 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 51.903 64.971 37.126 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 51.496 66.242 36.622 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 54.835 68.911 36.653 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 54.225 69.047 35.760 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 54.516 67.459 37.224 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 54.537 66.651 36.493 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 55.441 67.139 38.355 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 55.344 66.276 38.765 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 56.120 69.188 36.472 1.00 0.00 SBOX O ATOM 1600 P URA A 57 56.594 69.131 34.989 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 55.687 69.950 34.131 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 58.048 69.451 34.957 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 56.365 67.556 34.647 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 55.513 67.038 33.653 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 56.075 67.084 32.721 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 54.633 67.682 33.633 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 55.114 65.598 33.967 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 55.748 65.196 34.757 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 53.735 65.474 34.425 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 53.298 64.107 34.222 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 53.292 63.507 35.132 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 52.022 64.048 33.508 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 51.384 65.156 32.998 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 51.768 66.147 33.188 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 50.175 65.074 32.377 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 49.752 65.972 31.952 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 49.515 63.830 32.145 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 48.495 63.578 31.566 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 50.058 62.828 32.881 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 49.495 61.999 32.746 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 51.386 62.791 33.339 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 51.929 61.686 33.485 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 55.066 64.665 32.736 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 54.289 65.045 32.073 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 54.334 63.421 33.353 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 53.882 62.816 32.567 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 55.167 62.604 34.218 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 55.462 61.930 33.601 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 56.304 64.323 32.194 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 56.393 64.106 30.678 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 56.204 65.380 30.001 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 57.696 63.406 30.467 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 55.298 63.045 30.440 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 55.621 61.710 30.387 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 56.081 61.252 31.263 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 56.269 61.566 29.522 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 54.419 60.840 30.112 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 54.654 59.885 30.582 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 53.273 61.275 30.828 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 52.107 61.112 29.927 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 51.234 60.667 30.405 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 51.612 62.426 29.602 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 52.212 63.644 29.781 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 53.169 63.736 30.272 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 51.504 64.661 29.350 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 50.452 63.997 28.714 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 49.282 64.539 28.086 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 48.942 65.712 27.924 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 48.352 63.581 27.780 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 47.493 63.914 27.368 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 48.476 62.274 27.970 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 47.555 61.593 27.398 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 46.715 62.005 27.018 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 47.706 60.595 27.372 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 49.581 61.735 28.454 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 50.605 62.630 28.796 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 54.069 60.537 28.665 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 54.192 61.282 27.879 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 52.583 60.259 28.791 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 52.044 60.581 27.900 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 52.353 58.840 28.938 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 53.106 58.371 28.572 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 54.654 59.329 28.328 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 55.328 59.145 26.966 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 56.294 60.245 26.918 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 55.837 57.784 26.862 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 54.029 59.374 25.992 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 53.186 58.324 25.637 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 53.073 57.585 26.430 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 53.602 57.705 24.842 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 51.796 58.824 25.050 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 51.178 57.928 25.009 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 51.184 59.854 25.863 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 50.382 60.710 25.118 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 49.350 60.565 25.437 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 50.774 62.161 25.135 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 51.976 62.553 25.667 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 52.680 61.789 25.963 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 52.219 63.922 25.818 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 53.126 64.320 26.247 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 51.200 64.795 25.353 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 51.392 66.040 25.277 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 50.577 66.562 24.989 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 52.321 66.420 25.394 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 50.017 64.334 24.924 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 49.736 63.027 24.849 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 48.588 62.631 24.623 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 51.725 59.325 23.674 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 52.589 59.983 23.580 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 50.416 60.119 23.715 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 50.496 60.955 23.020 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 49.207 59.388 23.500 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 48.396 59.894 23.422 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 51.821 58.250 22.683 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 52.236 58.627 21.219 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 53.358 59.608 21.207 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 52.355 57.366 20.392 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 50.953 59.429 20.656 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 49.757 58.794 20.214 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 49.443 58.136 21.024 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 49.971 58.174 19.344 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 48.590 59.834 19.813 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 47.622 59.333 19.779 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 48.320 60.882 20.829 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 47.957 62.116 20.145 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 46.972 62.464 20.456 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 48.868 63.133 20.622 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 50.159 62.839 20.800 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 50.471 61.817 20.639 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 51.059 63.766 21.305 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 52.086 63.556 21.564 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 50.431 65.040 21.593 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 51.166 65.982 22.010 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 50.720 66.780 22.439 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 52.089 65.666 22.273 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 49.209 65.393 21.313 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 48.426 64.456 20.745 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 47.289 64.859 20.449 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 48.925 60.572 18.526 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 49.961 60.894 18.632 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 47.995 61.740 18.608 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 48.302 62.545 17.940 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 46.726 61.292 18.190 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 46.295 61.885 17.570 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 48.805 59.791 17.437 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 49.277 60.271 15.995 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 48.522 61.406 15.514 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 50.759 60.408 16.083 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 48.861 59.053 15.090 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 49.170 57.646 15.301 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 48.934 57.261 16.293 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 50.209 57.338 15.185 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 48.355 56.829 14.305 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 47.389 57.322 14.194 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 48.948 56.911 12.966 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 48.848 55.613 12.356 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 48.421 55.505 11.359 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 50.206 54.988 12.279 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 51.413 55.302 12.931 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 51.494 56.137 13.610 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 52.413 54.630 12.515 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 51.790 53.733 11.613 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 52.301 52.744 10.768 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 53.593 52.522 10.630 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 53.942 51.759 10.067 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 54.235 53.005 11.242 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 51.510 51.992 9.910 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 50.219 52.342 9.919 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 49.567 51.781 9.266 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 49.636 53.255 10.631 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 50.447 53.953 11.461 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 48.242 55.418 14.707 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 49.165 55.036 15.144 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 48.036 54.786 13.343 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 48.244 53.717 13.302 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 46.657 54.928 12.937 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 46.176 54.975 13.767 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 47.066 55.107 15.373 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 46.842 53.768 16.182 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 47.972 53.519 17.096 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 45.488 53.753 16.749 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 46.981 52.620 15.175 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 45.871 52.076 14.451 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 45.363 52.790 13.803 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 45.237 51.632 15.219 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 46.177 50.931 13.501 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 45.399 50.793 12.750 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 47.217 51.321 12.652 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 48.163 50.270 12.594 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 48.467 49.908 11.612 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 49.466 50.663 13.177 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 49.749 51.677 14.074 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 49.070 52.456 14.385 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 51.085 51.799 14.260 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 51.635 50.686 13.566 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 52.913 50.200 13.294 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 54.137 50.517 13.720 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 54.921 50.231 13.150 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 54.233 51.239 14.419 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 53.109 49.376 12.282 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 52.074 48.808 11.694 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 52.318 48.077 10.937 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 50.753 49.105 11.877 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 50.673 50.077 12.817 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 46.573 49.626 14.266 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 47.110 49.993 15.141 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 47.560 49.008 13.214 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 48.323 48.404 13.707 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 46.835 48.277 12.257 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 46.775 47.344 12.472 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 45.495 48.912 14.718 1.00 0.00 SBOX O ATOM 1792 P URA A 63 45.646 47.566 15.557 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 44.332 46.986 15.704 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 46.661 46.744 14.917 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 46.218 48.058 16.924 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 45.498 48.894 17.838 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 44.581 49.342 17.455 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 46.225 49.679 18.047 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 45.224 48.273 19.229 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 44.521 48.832 19.847 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 44.723 46.952 19.063 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 45.324 45.888 19.818 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 44.699 45.768 20.703 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 45.372 44.668 19.004 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 45.885 44.620 17.710 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 46.251 45.535 17.268 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 45.715 43.520 16.945 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 46.063 43.454 15.925 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 45.268 42.283 17.562 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 45.283 41.196 16.993 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 44.869 42.386 18.860 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 44.657 41.526 19.344 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 44.895 43.576 19.631 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 44.497 43.553 20.727 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 46.441 48.085 20.163 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 47.249 48.780 19.935 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 46.722 46.535 19.994 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 47.291 46.439 19.070 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 47.403 45.857 21.041 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 47.831 45.126 20.589 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 45.976 48.269 21.544 1.00 0.00 SBOX O ATOM 1822 P URA A 64 46.194 49.616 22.331 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 46.209 50.804 21.412 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 45.368 49.713 23.575 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 47.749 49.468 22.826 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 48.877 50.153 22.219 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 48.881 51.114 22.733 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 48.748 50.321 21.149 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 50.216 49.416 22.413 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 51.017 50.099 22.132 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 50.467 49.002 23.737 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 51.487 47.954 23.658 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 52.464 48.434 23.602 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 51.406 46.991 24.742 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 50.321 46.876 25.576 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 49.467 47.508 25.385 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 50.310 45.920 26.533 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 49.469 45.837 27.205 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 51.444 45.115 26.825 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 51.483 44.388 27.771 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 52.462 45.262 25.989 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 53.360 44.838 26.177 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 52.463 46.145 24.904 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 53.416 45.970 24.193 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 50.229 48.102 21.625 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 49.301 47.544 21.745 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 51.274 47.261 22.298 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 50.937 46.246 22.512 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 52.502 47.043 21.592 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 52.678 47.720 20.935 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 50.285 48.262 20.212 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 51.200 49.355 19.438 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 50.732 50.738 19.700 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 52.625 49.009 19.741 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 50.801 49.004 17.945 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 49.481 48.968 17.501 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 49.123 49.930 17.134 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 48.880 48.561 18.314 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 49.404 47.985 16.367 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 48.386 47.891 15.988 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 50.284 48.376 15.274 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 50.891 47.161 14.783 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 50.698 47.033 13.718 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 52.396 47.275 14.858 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 53.066 47.978 15.856 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 52.536 48.401 16.697 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 54.420 48.015 15.928 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 54.945 48.490 16.743 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 55.115 47.370 14.915 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 56.393 47.409 14.903 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 56.946 47.051 14.138 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 56.891 47.988 15.564 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 54.598 46.604 14.013 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 53.215 46.599 13.990 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 52.756 45.848 13.153 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 49.927 46.650 16.798 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 50.888 46.816 17.284 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 50.299 45.930 15.495 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 51.023 45.123 15.609 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 49.154 45.533 14.781 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 48.410 45.960 15.213 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 49.093 45.813 17.568 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 49.664 44.628 18.504 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 50.956 44.968 19.059 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 48.623 44.136 19.406 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 49.946 43.382 17.470 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 48.954 42.822 16.641 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 48.336 43.537 16.099 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 48.291 42.144 17.179 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 49.658 41.881 15.660 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 48.873 41.391 15.084 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 50.529 42.399 14.709 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 51.736 41.568 14.660 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 51.926 41.334 13.613 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 52.985 42.186 15.125 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 52.942 43.288 15.942 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 52.061 43.688 16.422 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 54.079 43.939 16.300 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 54.035 44.798 16.954 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 55.241 43.523 15.634 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 56.390 43.832 16.000 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 57.176 43.367 15.567 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 56.452 44.678 16.548 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 55.339 42.344 15.026 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 54.235 41.610 14.870 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 54.322 40.499 14.269 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 50.381 40.740 16.368 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 50.920 41.177 17.208 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 51.428 40.281 15.383 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 52.324 39.858 15.837 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 51.058 39.413 14.395 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 50.129 39.221 14.542 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 49.618 39.597 16.808 1.00 0.00 SBOX O ATOM 1914 P URA A 67 50.146 38.766 18.082 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 50.188 39.747 19.209 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 49.222 37.590 18.214 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 51.589 38.290 17.916 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 51.895 37.314 16.919 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 51.543 37.659 15.947 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 51.319 36.410 17.116 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 53.397 37.035 16.735 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 53.573 36.326 15.926 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 53.943 38.312 16.385 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 55.224 38.418 16.942 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 56.049 38.271 16.246 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 55.262 39.777 17.533 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 54.219 40.357 18.194 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 53.241 39.902 18.126 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 54.450 41.511 18.854 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 53.596 41.942 19.355 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 55.669 42.234 18.841 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 55.926 43.309 19.417 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 56.642 41.692 18.046 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 57.455 42.253 17.837 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 56.508 40.438 17.500 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 57.545 39.902 17.079 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 54.009 36.553 18.043 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 53.357 36.849 18.865 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 55.337 37.362 18.025 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 55.507 37.685 19.052 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 56.433 36.604 17.506 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 56.633 35.835 18.045 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 54.219 35.161 18.018 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 54.400 34.370 19.346 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 53.683 34.965 20.463 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 54.071 32.997 18.953 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 56.011 34.472 19.470 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 56.810 33.440 18.960 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 56.691 33.358 17.879 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 56.660 32.465 19.424 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 58.337 33.743 19.130 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 59.031 33.081 18.611 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 58.669 35.014 18.500 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 59.434 35.788 19.392 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 60.321 36.128 18.857 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 58.766 36.951 19.952 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 57.515 37.105 20.525 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 56.818 36.291 20.660 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 57.227 38.381 20.817 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 58.416 39.025 20.618 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 58.765 40.391 20.652 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 58.107 41.407 20.892 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 60.076 40.681 20.292 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 60.318 41.658 20.376 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 61.013 39.722 20.095 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 62.231 40.169 20.165 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 62.391 41.122 20.459 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 62.931 39.444 20.103 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 60.675 38.403 20.079 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 59.348 38.161 20.201 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 58.793 33.994 20.610 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 58.133 34.667 21.158 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 60.027 34.906 20.470 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 60.234 35.425 21.406 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 61.123 34.170 19.954 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 61.093 33.303 20.367 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 58.974 32.922 21.529 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 59.661 31.553 21.150 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 58.850 30.943 20.060 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 61.073 31.767 20.916 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 59.529 30.534 22.385 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 60.477 30.472 23.468 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 60.902 31.474 23.402 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 61.170 29.631 23.490 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 59.669 30.346 24.827 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 60.390 30.226 25.635 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 58.931 31.563 25.073 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 57.706 31.196 25.760 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 57.715 31.644 26.754 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 56.424 31.609 25.077 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 56.432 31.874 23.748 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 57.338 31.718 23.182 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 55.399 32.463 23.091 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 55.498 32.672 22.036 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 54.407 32.881 23.973 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 53.390 33.488 23.445 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 52.571 33.387 24.027 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 53.495 33.621 22.449 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 54.219 32.409 25.172 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 55.284 31.800 25.768 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 55.205 31.533 26.968 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 58.626 29.181 24.880 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 58.038 29.199 23.962 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 57.755 29.713 26.082 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 56.774 29.248 25.990 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 58.400 29.442 27.322 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 57.837 29.668 28.066 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 59.209 27.901 25.112 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 58.451 26.542 24.838 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 57.944 26.572 23.447 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 59.272 25.383 25.256 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 57.122 26.715 25.824 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 57.125 26.230 27.217 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 57.935 26.635 27.824 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 57.306 25.163 27.090 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 55.690 26.495 27.871 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 55.846 26.375 28.943 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 55.298 27.847 27.561 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 53.922 27.792 27.617 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 53.414 28.323 28.423 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 53.487 28.339 26.290 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 54.201 28.488 25.157 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 55.176 28.046 25.015 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 53.498 29.078 24.179 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 52.329 29.368 24.777 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 51.084 29.995 24.351 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 50.829 30.499 23.160 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 49.996 31.066 23.100 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 51.542 30.434 22.447 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 50.036 30.151 25.167 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 50.170 29.577 26.369 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 49.281 29.736 26.962 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 51.266 28.989 26.954 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 52.275 28.922 26.066 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 54.620 25.523 27.364 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 54.764 25.460 26.285 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 53.384 26.349 27.731 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 52.541 26.055 27.106 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 53.118 26.201 29.171 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 52.322 26.664 29.441 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 54.703 24.216 27.959 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 53.884 22.998 27.380 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 54.186 23.046 25.989 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 54.077 21.746 28.128 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 52.355 23.504 27.415 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 51.626 23.502 28.596 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 52.121 23.975 29.445 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 51.615 22.438 28.831 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 50.207 23.977 28.450 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 49.668 23.861 29.390 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 50.100 25.401 27.993 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 48.881 25.478 27.245 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 48.317 26.284 27.713 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 49.195 26.008 25.897 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 50.286 25.901 25.122 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 51.162 25.362 25.452 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 50.312 26.632 24.033 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 49.107 27.286 24.029 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 48.480 28.201 23.100 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 48.779 28.566 21.963 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 47.137 28.511 23.494 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 46.563 29.022 22.839 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 46.625 28.019 24.602 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 45.395 28.218 24.700 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 45.052 28.954 24.100 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 44.879 27.868 25.494 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 47.112 27.224 25.458 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 48.391 26.909 25.145 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 49.446 23.244 27.374 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 49.903 23.234 26.384 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 48.206 24.139 27.199 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 47.798 23.861 26.228 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 47.274 24.127 28.286 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 46.577 24.747 28.058 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 49.147 21.926 27.760 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 48.693 20.790 26.692 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 49.701 20.779 25.649 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 48.468 19.600 27.485 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 47.359 21.300 26.022 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 46.168 21.135 26.704 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 46.305 21.575 27.691 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 45.859 20.092 26.773 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 45.057 21.942 25.952 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 44.067 21.773 26.377 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 45.437 23.336 25.889 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 45.002 23.905 24.733 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 44.295 24.681 25.028 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 46.060 24.398 23.788 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 47.300 23.838 23.728 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 47.567 23.010 24.368 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 48.209 24.259 22.839 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 49.152 23.739 22.763 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 47.759 25.207 21.888 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 48.465 25.670 20.945 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 48.103 26.423 20.378 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 49.435 25.392 20.984 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 46.563 25.815 21.986 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 45.677 25.406 22.850 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 44.518 25.878 22.792 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 44.939 21.562 24.455 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 45.888 21.572 23.918 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 44.125 22.771 23.988 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 44.283 22.961 22.926 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 42.777 22.725 24.485 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 42.282 23.385 23.993 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 44.316 20.288 24.236 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 44.504 19.388 22.890 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 45.943 19.427 22.488 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 43.874 18.072 23.202 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 43.590 20.140 21.867 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 42.135 20.140 21.932 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 41.897 20.233 22.991 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 41.625 19.208 21.687 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 41.416 21.299 21.186 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 40.382 21.269 21.531 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 42.077 22.534 21.501 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 42.276 23.198 20.215 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 41.862 24.196 20.353 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 43.661 23.320 19.761 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 44.781 22.749 20.286 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 44.748 21.917 20.973 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 45.859 23.220 19.689 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 45.458 24.197 18.739 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 46.192 25.011 17.838 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 47.381 25.187 17.600 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 45.305 25.923 17.165 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 45.711 26.528 16.465 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 43.935 25.857 17.297 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 43.216 26.688 16.556 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 43.662 27.330 15.916 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 42.209 26.610 16.565 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 43.283 25.055 18.010 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 44.087 24.179 18.723 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 41.610 21.064 19.695 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 42.616 20.697 19.488 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 41.334 22.467 19.200 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 41.712 22.632 18.191 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 40.004 22.922 19.386 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 39.894 23.413 18.569 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 40.722 20.112 19.099 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 41.228 18.876 18.331 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 42.266 18.238 19.121 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 40.001 18.095 18.025 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 41.714 19.381 16.908 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 42.824 20.236 16.802 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 43.650 19.882 17.418 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 42.543 21.178 17.273 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 43.249 20.531 15.339 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 42.419 20.683 14.649 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 44.043 21.696 15.432 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 45.066 21.683 14.500 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 44.790 22.420 13.746 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 46.296 22.087 15.191 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 46.782 21.681 16.387 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 46.324 20.914 16.995 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 48.044 22.031 16.625 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 48.365 22.888 15.605 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 49.628 23.420 15.159 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 50.732 23.355 15.683 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 49.498 24.212 14.060 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 50.209 24.872 13.779 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 48.320 24.317 13.430 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 48.271 25.156 12.427 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 49.119 25.658 12.205 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 47.386 25.287 11.960 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 47.163 23.785 13.664 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 47.296 22.953 14.706 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 44.213 19.490 14.783 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 44.903 19.161 15.560 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 45.008 20.341 13.727 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 46.025 19.993 13.545 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 44.298 20.439 12.515 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 44.760 21.130 12.034 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 43.678 18.329 14.125 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 44.310 16.943 13.985 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 44.847 16.387 15.243 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 43.453 16.088 13.137 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 45.521 17.339 13.016 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 46.784 16.636 13.005 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 46.513 15.581 12.994 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 47.400 16.817 13.886 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 47.507 16.977 11.681 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 48.421 16.408 11.515 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 46.680 16.720 10.580 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 46.734 17.697 9.592 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 47.195 17.174 8.754 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 45.429 18.280 9.451 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 44.282 18.123 10.155 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 44.089 17.432 10.962 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 43.227 18.742 9.665 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 43.773 19.356 8.521 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 43.261 20.134 7.461 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 41.954 20.393 7.322 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 41.660 20.800 6.445 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 41.216 20.036 7.912 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 43.971 20.412 6.389 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 45.288 20.072 6.408 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 45.835 20.323 5.512 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 45.969 19.559 7.484 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 45.128 19.117 8.434 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 47.843 18.461 11.580 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 47.125 19.143 12.035 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 47.787 18.641 10.084 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 47.516 19.684 9.919 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 48.971 18.347 9.400 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 49.705 18.563 9.979 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 49.161 18.677 12.001 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 49.500 19.832 12.956 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 48.401 20.039 13.902 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 50.817 19.458 13.462 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 49.540 21.105 11.950 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 50.720 21.286 11.174 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 51.264 20.343 11.131 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 51.414 21.943 11.698 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 50.420 21.918 9.831 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 51.267 21.748 9.165 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 49.302 21.281 9.293 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 48.508 22.238 8.655 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 48.307 21.993 7.612 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 47.168 22.379 9.346 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 46.752 22.134 10.641 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 47.354 21.734 11.443 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 45.470 22.339 10.827 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 44.973 22.778 9.545 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 43.668 23.190 8.920 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 42.483 23.069 9.461 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 41.673 23.315 8.910 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 42.396 22.747 10.414 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 43.628 23.553 7.617 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 44.764 23.586 6.983 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 44.690 23.953 5.970 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 46.009 23.262 7.367 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 46.037 22.844 8.685 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 50.145 23.421 9.864 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 49.606 23.679 10.776 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 49.289 23.566 8.631 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 48.543 24.310 8.908 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 49.907 23.727 7.349 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 50.864 23.727 7.424 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 51.301 24.158 9.804 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 51.263 25.647 10.420 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 50.698 25.601 11.749 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 52.591 26.277 10.218 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 50.174 26.399 9.517 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 50.492 26.895 8.210 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 50.908 26.114 7.573 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 51.190 27.727 8.117 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 49.224 27.425 7.490 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 49.443 27.834 6.504 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 48.093 26.527 7.460 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 46.852 27.216 7.591 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 46.214 27.088 6.717 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 46.137 26.654 8.846 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 46.704 26.424 10.119 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 47.710 26.669 10.427 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 45.813 25.889 10.948 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 44.586 25.926 10.262 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 43.207 25.800 10.597 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 42.728 25.415 11.698 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 41.730 25.337 11.825 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 43.416 25.208 12.408 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 42.263 26.109 9.724 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 42.661 26.578 8.520 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 41.851 26.959 7.916 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 43.871 26.761 8.081 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 44.814 26.437 8.990 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 48.615 28.583 8.221 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 48.774 28.367 9.278 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 47.189 28.663 7.734 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 46.659 29.201 8.520 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 46.983 29.322 6.533 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 47.443 30.164 6.517 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 49.191 29.911 7.982 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 49.321 30.963 9.270 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 50.317 30.393 10.118 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 49.469 32.308 8.726 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 48.023 30.932 10.056 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 46.785 31.582 9.554 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 46.601 31.395 8.496 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 46.834 32.657 9.727 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 45.645 31.014 10.420 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 44.740 31.074 9.815 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 45.762 29.620 10.700 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 45.079 29.227 11.912 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 44.411 28.387 11.725 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 46.023 28.764 12.949 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 47.362 28.925 12.728 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 47.802 29.585 11.995 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 48.165 28.281 13.625 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 49.235 28.331 13.491 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 47.637 27.451 14.611 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 48.422 26.995 15.533 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 48.003 26.514 16.316 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 49.386 27.275 15.641 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 46.335 27.299 14.755 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 45.551 28.008 14.008 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 44.318 27.943 14.309 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 45.426 31.582 11.783 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 46.383 31.527 12.301 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 44.402 30.489 12.241 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 44.284 30.609 13.318 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 43.141 30.288 11.617 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 42.454 29.878 12.148 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 44.837 32.904 11.815 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 44.931 33.774 13.116 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 46.379 33.726 13.445 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 44.286 35.018 12.701 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 44.085 33.013 14.212 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 42.718 32.812 14.090 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 42.441 32.495 13.084 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 42.297 33.814 14.180 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 41.958 31.903 15.146 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 40.910 31.989 14.856 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 42.460 30.567 15.249 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 42.511 30.149 16.554 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 42.150 29.135 16.728 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 43.877 30.053 17.053 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 45.114 30.456 16.547 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 45.194 31.087 15.674 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 46.228 29.882 16.998 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 45.634 29.051 17.993 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 46.236 28.202 19.013 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 47.398 27.763 19.145 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 45.292 27.684 19.925 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 45.610 27.043 20.639 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 43.970 27.861 19.823 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 43.185 27.243 20.657 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 43.619 26.626 21.329 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 42.177 27.286 20.596 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 43.385 28.767 19.078 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 44.246 29.254 18.119 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 41.943 32.373 16.593 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 42.910 32.695 16.980 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 41.595 31.067 17.273 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 41.940 31.060 18.307 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 40.179 30.700 17.131 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 39.709 31.533 17.045 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 40.955 33.339 16.836 1.00 0.00 SBOX O ATOM 2339 P URA A 80 41.235 34.564 17.785 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 42.483 35.259 17.486 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 39.932 35.272 17.609 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 41.312 33.980 19.285 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 40.247 33.457 20.047 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 39.541 32.875 19.455 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 39.585 34.243 20.410 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 40.802 32.497 21.160 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 39.950 32.063 21.683 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 41.503 31.329 20.625 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 42.545 31.072 21.526 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 42.475 30.039 21.867 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 43.910 31.450 20.959 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 44.093 32.109 19.754 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 43.196 32.492 19.291 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 45.355 32.386 19.298 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 45.498 32.931 18.376 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 46.584 31.845 19.964 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 47.706 31.991 19.536 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 46.307 31.163 21.113 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 47.153 30.758 21.489 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 45.080 30.919 21.588 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 44.993 30.300 22.650 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 41.668 33.204 22.272 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 42.347 33.859 21.725 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 42.440 31.948 22.773 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 43.346 32.371 23.207 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 41.763 31.320 23.856 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 41.619 31.955 24.561 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 40.928 33.998 23.212 1.00 0.00 SBOX O ATOM 2369 P URA A 81 41.653 35.180 24.009 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 42.680 35.774 23.193 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 40.689 35.978 24.720 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 42.270 34.302 25.168 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 41.393 33.698 26.209 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 40.674 33.040 25.720 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 40.954 34.427 26.889 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 42.322 32.806 27.064 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 41.739 32.302 27.836 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 42.970 31.771 26.346 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 44.199 31.604 26.999 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 44.316 30.548 27.241 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 45.357 31.945 26.022 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 45.200 32.898 25.032 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 44.412 33.635 25.058 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 46.147 33.032 24.062 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 46.072 33.903 23.429 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 47.324 32.179 23.996 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 48.094 32.092 23.040 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 47.506 31.341 25.101 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 48.311 30.732 25.126 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 46.565 31.227 26.110 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 46.808 30.314 26.933 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 43.383 33.629 27.866 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 43.951 34.261 27.185 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 44.249 32.481 28.239 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 45.265 32.813 28.454 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 43.631 31.786 29.310 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 44.279 31.181 29.679 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 42.769 34.348 28.941 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 43.458 35.581 29.639 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 43.680 36.582 28.575 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 42.592 36.036 30.782 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 44.882 35.132 30.157 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 44.954 34.278 31.277 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 44.103 33.617 31.112 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 44.650 34.802 32.183 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 46.346 33.638 31.492 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 46.245 32.933 32.316 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 46.660 32.817 30.368 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 48.094 32.683 30.203 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 48.505 31.676 30.278 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 48.533 33.172 28.844 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 47.820 33.840 27.883 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 46.884 34.354 28.043 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 48.581 33.955 26.729 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 49.777 33.326 27.038 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 50.978 33.213 26.278 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 51.317 33.554 25.164 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 51.929 32.649 26.999 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 52.728 32.509 26.396 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 51.781 31.980 28.223 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 52.877 31.424 28.612 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 53.730 31.626 28.111 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 52.930 31.039 29.544 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 50.729 32.087 29.045 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 49.751 32.823 28.366 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 47.609 34.476 31.858 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 47.520 35.362 31.229 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 48.731 33.520 31.302 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 49.486 34.103 30.775 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 49.161 32.609 32.291 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 49.810 33.007 32.877 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 47.659 34.671 33.262 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 48.674 35.622 33.981 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 48.680 36.845 33.117 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 48.360 35.719 35.449 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 50.099 34.973 33.803 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 51.217 35.781 33.383 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 51.519 36.341 34.268 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 51.135 36.518 32.585 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 52.380 34.878 32.991 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 52.601 34.207 33.820 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 51.979 34.221 31.823 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 53.082 34.147 30.912 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 53.225 33.107 30.616 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 52.695 34.958 29.704 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 51.594 35.719 29.518 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 50.837 35.840 30.278 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 51.565 36.385 28.353 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 52.740 35.894 27.691 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 53.376 36.084 26.461 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 52.892 36.728 25.409 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 53.519 36.540 24.640 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 52.007 37.214 25.444 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 54.593 35.623 26.233 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 55.169 34.936 27.187 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 56.120 34.472 26.973 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 54.691 34.591 28.399 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 53.477 35.165 28.599 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 53.700 35.593 32.676 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 53.423 36.542 32.215 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 54.325 34.741 31.609 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 54.909 35.305 30.882 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 55.073 33.622 32.041 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 55.440 33.075 31.342 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 54.453 35.911 33.845 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 55.299 37.195 33.999 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 54.502 38.333 33.608 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 56.097 37.237 35.203 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 56.340 37.105 32.765 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 57.505 36.212 32.721 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 57.204 35.166 32.772 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 58.176 36.455 33.545 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 58.299 36.338 31.389 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 59.059 35.559 31.463 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 57.459 35.873 30.399 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 57.543 36.688 29.246 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 57.715 35.925 28.487 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 56.335 37.489 28.926 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 55.244 37.863 29.697 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 55.270 37.598 30.743 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 54.316 38.559 29.039 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 54.834 38.756 27.781 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 54.496 39.361 26.570 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 53.374 39.925 26.190 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 53.411 40.157 25.208 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 52.529 39.747 26.714 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 55.292 39.352 25.540 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 56.457 38.669 25.672 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 57.091 38.694 24.797 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 56.930 38.064 26.733 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 56.106 38.139 27.726 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 58.806 37.732 30.959 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 58.019 38.438 31.222 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 58.770 37.536 29.436 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 58.757 38.500 28.926 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 59.862 36.762 29.040 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 59.896 36.766 28.081 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 60.072 38.055 31.546 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 60.520 39.389 31.838 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 59.438 40.117 32.534 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 61.951 39.431 32.294 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 60.596 40.034 30.403 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 61.550 39.750 29.426 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 61.556 38.682 29.205 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 62.484 40.139 29.832 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 61.290 40.648 28.272 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 62.097 40.588 27.542 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 60.186 40.134 27.644 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 59.453 41.230 27.028 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 59.293 41.145 25.954 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 58.103 41.388 27.689 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 57.760 41.015 28.990 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 58.518 40.536 29.593 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 56.522 41.251 29.311 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 56.001 41.783 28.135 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 54.827 42.481 27.834 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 53.744 42.732 28.572 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 53.105 43.106 27.886 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 53.565 42.212 29.419 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 54.714 43.161 26.665 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 55.662 42.998 25.753 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 55.414 43.313 24.750 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 56.817 42.446 25.913 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 56.934 41.852 27.150 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 61.147 42.134 28.513 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 60.596 42.270 29.443 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 60.262 42.479 27.354 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 59.582 43.297 27.592 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 60.924 42.659 26.095 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 60.467 43.346 25.604 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 62.365 42.784 28.606 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 62.464 44.089 29.468 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 62.039 43.773 30.855 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 63.845 44.671 29.280 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 61.388 45.055 28.810 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 61.562 45.664 27.544 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 61.826 44.851 26.867 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 62.460 46.281 27.521 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 60.301 46.428 26.981 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 60.542 46.884 26.021 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 59.160 45.589 26.709 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 57.957 46.388 26.869 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 57.400 46.521 25.942 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 57.042 45.896 27.973 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 57.353 45.019 28.989 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 58.308 44.520 29.065 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 56.371 44.784 29.752 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 55.371 45.742 29.244 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 54.070 46.056 29.696 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 53.446 45.636 30.658 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 53.341 46.956 28.970 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 52.403 47.192 29.261 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 53.921 47.650 27.965 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 53.124 48.500 27.479 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 52.200 48.686 27.841 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 53.650 49.062 26.825 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 55.129 47.433 27.481 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 55.821 46.459 28.170 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 59.843 47.544 27.896 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 59.614 47.112 28.870 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 58.517 47.830 27.210 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 57.833 48.249 27.948 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 58.634 48.721 26.104 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 57.777 48.687 25.675 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 60.696 48.663 27.948 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 60.458 49.734 29.127 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 60.259 49.006 30.416 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 61.499 50.723 28.999 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 59.091 50.435 28.698 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 59.013 51.315 27.584 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 59.377 50.802 26.694 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 59.632 52.189 27.784 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 57.610 51.760 27.419 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 57.471 52.399 26.547 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 56.603 50.700 27.482 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 55.439 51.158 28.117 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 54.510 51.041 27.560 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 55.270 50.495 29.387 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 56.199 49.753 30.072 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 57.230 49.671 29.761 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 55.653 49.111 31.137 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 54.317 49.515 31.130 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 53.200 49.309 31.955 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 53.152 48.448 32.886 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 52.228 48.429 33.294 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 54.015 47.995 33.152 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 52.054 49.903 31.719 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 51.949 50.685 30.621 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 50.958 51.042 30.382 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 52.926 50.940 29.707 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 54.076 50.350 30.074 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 57.215 52.727 28.556 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 57.416 52.310 29.543 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 55.684 52.678 28.371 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 55.195 53.056 29.269 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 55.188 53.449 27.231 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 54.400 53.033 26.874 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 57.881 53.953 28.402 1.00 0.00 SBOX O ATOM 2599 P URA A 88 58.254 54.745 29.723 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 58.903 53.849 30.696 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 58.976 56.007 29.312 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 56.815 55.245 30.285 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 56.076 56.206 29.606 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 55.848 55.790 28.625 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 56.706 57.067 29.381 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 54.742 56.463 30.342 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 54.331 57.358 29.874 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 53.719 55.403 30.243 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 53.134 55.352 31.564 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 52.047 55.300 31.498 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 53.519 54.143 32.408 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 54.682 53.387 32.143 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 55.392 53.674 31.381 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 54.987 52.339 32.948 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 55.893 51.779 32.770 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 54.093 52.041 34.056 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 54.214 51.071 34.849 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 53.011 52.785 34.243 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 52.407 52.501 35.001 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 52.727 53.846 33.484 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 51.832 54.582 33.926 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 54.947 56.927 31.837 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 55.644 56.221 32.288 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 53.566 56.638 32.258 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 53.554 56.549 33.344 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 52.618 57.602 31.808 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 52.837 58.461 32.174 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 55.340 58.287 32.154 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 56.092 58.675 33.464 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 57.150 57.657 33.705 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 56.471 60.106 33.427 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 55.016 58.500 34.584 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 53.952 59.350 34.581 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 53.455 59.478 33.619 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 54.378 60.295 34.916 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 52.786 58.959 35.555 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 52.005 59.708 35.419 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 52.185 57.696 35.227 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 51.925 56.876 36.403 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 50.928 56.437 36.434 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 53.022 55.857 36.580 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 54.252 55.636 36.015 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 54.612 56.267 35.216 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 54.931 54.643 36.499 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 54.084 54.088 37.400 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 54.174 52.949 38.169 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 55.079 52.153 38.197 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 53.154 52.832 39.061 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 53.126 51.928 39.510 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 52.042 53.565 39.042 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 51.175 53.206 39.881 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 51.393 52.437 40.499 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 50.321 53.740 39.954 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 51.870 54.556 38.189 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 52.925 54.777 37.413 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 53.043 58.843 37.044 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 54.043 58.435 37.187 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 52.004 57.856 37.611 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 52.297 57.321 38.514 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 50.761 58.423 37.716 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 50.743 59.366 37.897 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 52.990 60.227 37.504 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 54.007 60.883 38.543 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 55.384 60.754 37.952 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 53.476 62.110 39.113 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 54.062 59.768 39.808 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 52.910 59.677 40.625 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 52.000 59.621 40.029 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 52.876 60.631 41.151 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 52.820 58.683 41.739 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 51.949 58.893 42.359 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 52.597 57.434 41.151 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 53.360 56.485 41.834 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 52.738 55.663 42.186 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 54.318 55.870 40.903 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 55.042 56.412 39.895 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 54.818 57.401 39.523 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 56.034 55.690 39.457 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 55.945 54.535 40.262 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 56.662 53.298 40.338 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 57.761 53.005 39.735 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 58.407 52.353 40.157 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 58.092 53.750 39.139 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 56.418 52.489 41.335 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 55.391 52.766 42.090 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 55.154 52.039 42.853 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 54.508 53.746 42.085 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 54.848 54.626 41.082 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 54.135 58.628 42.592 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 55.023 58.784 41.979 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 54.097 57.096 42.974 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 55.160 56.858 42.988 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 53.425 56.844 44.195 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 54.062 56.983 44.900 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 54.062 59.449 43.767 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 55.380 59.700 44.542 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 56.550 59.652 43.575 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 55.154 60.793 45.451 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 55.601 58.430 45.373 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 54.903 58.170 46.552 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 53.855 58.291 46.277 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 55.177 58.948 47.265 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 55.234 56.792 47.112 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 54.517 56.521 47.886 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 55.139 55.866 46.016 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 56.045 54.829 46.207 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 55.455 53.912 46.218 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 57.070 54.793 45.081 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 57.292 55.755 44.165 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 56.782 56.705 44.221 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 58.112 55.442 43.220 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 58.440 54.099 43.573 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 59.167 53.093 42.901 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 59.893 53.162 41.889 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 59.247 51.935 43.592 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 59.604 51.174 43.031 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 58.643 51.690 44.736 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 58.886 50.553 45.246 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 59.336 49.928 44.592 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 58.231 50.243 45.948 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 57.864 52.527 45.381 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 57.745 53.711 44.694 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 56.671 56.605 47.758 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 57.408 57.102 47.128 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 56.776 55.037 47.512 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 57.809 54.782 47.275 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 56.084 54.312 48.562 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 56.210 53.366 48.454 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 56.697 57.033 49.196 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 58.030 57.122 49.997 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 58.844 58.198 49.470 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 57.641 57.228 51.420 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 58.742 55.726 49.777 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 60.158 55.557 49.713 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 60.636 55.565 50.692 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 60.563 56.379 49.123 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 60.727 54.202 49.111 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 60.582 53.378 49.810 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 60.188 53.870 47.851 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 61.241 53.234 47.087 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 60.900 52.225 46.856 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 61.433 54.108 45.874 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 61.174 55.491 45.801 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 60.530 55.924 46.552 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 61.618 56.267 44.751 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 61.573 57.343 44.673 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 62.363 55.582 43.729 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 62.888 56.321 42.776 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 63.203 55.722 42.026 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 62.733 57.317 42.710 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 62.684 54.273 43.782 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 62.151 53.519 44.782 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 62.280 52.284 44.694 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 62.240 54.333 48.955 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 62.497 55.240 48.409 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 62.448 53.167 47.945 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 63.362 53.381 47.392 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 62.542 51.877 48.415 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 63.451 51.843 48.723 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 62.812 54.230 50.212 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 64.329 54.606 50.369 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 64.575 55.958 49.808 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 64.655 54.276 51.774 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 65.114 53.650 49.417 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 65.442 52.310 49.763 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 64.565 51.764 50.112 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 65.993 52.378 50.701 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 66.154 51.445 48.655 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 66.191 50.373 48.851 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 65.568 51.627 47.384 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 66.542 51.319 46.390 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 66.446 50.278 46.081 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 66.383 52.224 45.192 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 66.294 53.623 45.423 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 66.327 54.011 46.430 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 65.934 54.438 44.346 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 65.788 55.481 44.581 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 65.767 53.798 43.089 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 65.419 54.391 42.044 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 65.286 53.762 41.265 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 65.138 55.361 42.023 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 65.927 52.512 42.862 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 66.162 51.754 43.873 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 66.288 50.537 43.693 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 67.586 51.972 48.416 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 67.394 53.030 48.236 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 67.888 51.308 47.106 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 68.530 51.966 46.521 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 68.276 49.940 47.212 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 68.879 49.681 46.511 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 68.374 51.726 49.526 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 74.206 51.471 47.286 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 74.628 51.142 46.489 1.00 0.00 SBOX ATOM 2794 P ADE A 94 69.662 52.576 49.769 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 69.434 54.022 49.780 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 70.335 51.929 50.919 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 70.592 52.271 48.518 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 71.340 51.061 48.434 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 70.687 50.223 48.680 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 72.179 51.115 49.128 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 71.881 50.847 47.034 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 72.458 49.923 46.997 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 70.979 50.969 46.036 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 71.434 51.744 44.947 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 71.343 51.163 44.029 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 70.585 52.979 44.822 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 70.041 53.773 45.794 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 70.165 53.616 46.856 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 69.453 54.843 45.352 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 69.604 54.769 43.994 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 69.049 55.471 42.961 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 68.240 56.478 43.060 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 67.768 56.751 42.210 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 68.066 56.917 43.953 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 69.413 55.157 41.713 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 70.161 54.050 41.490 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 70.359 53.832 40.451 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 70.580 53.217 42.390 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 70.263 53.661 43.679 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 72.943 51.869 46.837 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 72.645 52.768 47.377 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 72.920 51.992 45.248 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 73.239 52.995 44.966 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 73.735 50.987 44.732 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 73.877 51.018 43.783 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 57.997 11.660 12.231 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 57.416 12.136 12.824 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 57.848 12.063 11.375 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 55.485 65.858 51.950 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 55.521 66.372 52.756 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 54.556 65.836 51.720 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 46.413 34.001 6.658 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 46.592 34.227 7.571 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 45.473 33.822 6.634 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 85.721 39.205 22.818 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 86.408 38.755 22.326 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 86.058 40.093 22.941 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 25.093 79.278 32.004 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 25.123 78.344 32.212 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 24.726 79.315 31.121 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 43.836 57.876 28.266 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 43.592 58.515 28.936 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 44.145 58.406 27.531 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 26.486 38.574 25.049 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 27.197 38.445 25.677 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 26.805 39.261 24.463 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 85.515 54.316 5.010 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 86.091 53.664 5.409 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 85.274 54.896 5.732 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 55.382 48.916 21.382 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 55.815 49.208 20.580 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 55.180 47.994 21.224 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 60.050 90.397 -4.631 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 60.597 90.510 -3.853 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 60.477 89.696 -5.124 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 61.252 23.000 40.753 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 61.335 23.696 40.102 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 60.639 23.348 41.400 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 76.173 20.971 -0.094 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 76.453 20.148 0.305 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 76.988 21.437 -0.280 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 56.464 36.172 24.194 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 55.792 36.237 24.872 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 55.983 36.259 23.370 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 51.743 54.680 25.593 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 52.007 53.780 25.781 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 51.724 54.730 24.637 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 30.788 64.021 -10.853 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 30.735 63.091 -10.635 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 29.938 64.225 -11.243 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 53.544 46.568 47.904 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 53.723 46.563 48.844 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 53.408 45.647 47.680 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 31.014 52.684 26.208 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 31.452 53.343 26.746 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 31.695 52.369 25.613 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 60.026 36.692 16.351 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 60.708 37.351 16.478 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 59.223 37.115 16.657 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 45.278 51.988 19.030 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 46.089 51.515 18.842 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 45.172 52.585 18.289 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 47.966 31.098 41.796 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 47.179 31.010 42.333 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 47.666 31.534 40.999 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 27.148 76.511 44.247 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 27.806 75.817 44.283 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 27.372 77.014 43.464 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 49.183 54.151 54.115 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 48.584 53.989 53.386 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 48.948 55.024 54.430 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 68.412 48.050 20.992 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 67.822 48.651 21.446 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 69.290 48.357 21.218 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 26.573 9.593 -9.618 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 26.612 10.075 -10.444 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 25.821 9.965 -9.158 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 24.985 25.337 65.959 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 25.340 25.456 65.078 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 25.493 25.936 66.505 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 44.631 25.113 13.895 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 45.040 25.840 14.365 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 45.360 24.661 13.471 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 70.437 25.901 16.198 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 71.342 25.983 15.896 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 70.481 26.079 17.137 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 70.359 32.704 21.628 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 70.363 33.660 21.672 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 70.071 32.506 20.737 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 63.002 40.173 -9.594 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 63.460 40.997 -9.430 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 62.638 39.927 -8.744 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 23.918 9.319 38.503 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 23.675 8.408 38.338 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 24.209 9.648 37.653 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 32.860 25.789 27.118 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 32.883 26.573 26.569 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 33.753 25.446 27.084 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 80.407 29.023 -16.926 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 79.743 29.385 -16.339 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 81.081 28.678 -16.341 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 78.757 64.937 30.319 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 78.124 64.606 30.956 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 78.531 64.491 29.503 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 68.301 13.413 54.460 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 68.135 13.389 55.403 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 67.430 13.445 54.064 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 54.576 36.551 22.352 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 54.203 36.014 21.653 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 54.451 37.452 22.055 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 66.159 29.642 29.776 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 66.564 29.977 28.976 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 65.471 29.053 29.468 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 42.369 58.167 -5.084 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 43.210 58.542 -5.343 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 42.561 57.678 -4.283 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 20.810 10.840 -3.163 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 20.953 10.902 -4.107 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 20.177 10.128 -3.063 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 44.653 70.096 18.112 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 44.538 69.364 18.717 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 45.580 70.072 17.878 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 50.172 55.783 20.803 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 49.714 55.278 20.132 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 50.964 56.098 20.367 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 28.035 7.625 26.423 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 27.961 8.531 26.725 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 27.131 7.318 26.361 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 50.752 53.128 21.708 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 50.618 54.071 21.622 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 50.360 52.756 20.918 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 24.134 20.772 -13.416 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 24.069 20.582 -12.480 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 23.246 21.024 -13.671 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 71.087 49.425 17.670 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 70.416 49.827 18.223 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 70.713 48.581 17.416 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 81.473 -0.151 40.323 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 81.833 0.431 39.654 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 80.737 0.337 40.694 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 53.405 29.391 18.871 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 52.539 28.983 18.849 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 53.392 29.938 19.656 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 60.543 50.366 -4.548 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 59.865 50.722 -3.974 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 60.814 49.552 -4.123 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 66.954 51.093 55.972 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 66.435 50.601 56.608 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 66.389 51.819 55.710 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 33.995 88.059 9.072 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 34.694 88.700 9.197 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 33.340 88.518 8.545 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 40.751 65.715 63.987 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 41.239 65.303 63.274 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 41.350 65.690 64.733 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 66.237 77.027 67.313 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 66.877 77.510 66.789 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 65.537 77.659 67.479 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 57.723 70.339 25.684 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 56.998 69.715 25.658 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 58.012 70.408 24.774 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 57.592 50.350 23.595 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 57.158 50.957 22.996 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 57.158 49.510 23.441 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 52.522 55.564 23.183 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 52.009 55.250 22.438 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 52.335 56.502 23.225 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 36.431 33.482 36.669 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 36.205 33.881 35.829 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 35.891 33.946 37.309 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 65.989 28.063 12.222 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 65.944 27.956 13.172 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 65.521 28.880 12.050 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 47.530 18.670 45.623 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 47.470 18.631 46.578 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 48.158 19.372 45.450 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 49.219 55.416 25.754 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 50.170 55.330 25.822 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 49.062 55.642 24.837 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 62.085 46.056 33.781 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 62.201 46.931 34.152 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 61.567 46.198 32.988 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 76.117 69.097 17.555 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 75.267 69.407 17.869 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 76.247 68.260 18.001 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 78.893 49.848 32.390 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 78.103 50.196 31.977 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 79.609 50.350 31.999 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 44.257 67.290 17.792 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 44.218 67.164 16.844 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 44.463 66.422 18.141 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 26.872 16.054 -1.036 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 26.741 16.143 -0.091 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 27.393 16.819 -1.278 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 79.003 64.546 61.278 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 78.488 63.770 61.057 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 79.452 64.314 62.090 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 28.832 39.245 19.634 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 28.811 40.199 19.703 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 28.301 39.048 18.862 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 56.369 39.981 32.458 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 55.692 39.379 32.765 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 56.071 40.255 31.591 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 33.574 30.734 42.091 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 34.377 30.943 41.613 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 32.870 31.065 41.533 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 52.307 45.499 10.511 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 53.081 45.922 10.139 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 52.471 45.484 11.453 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 25.006 21.560 36.790 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 25.009 21.421 37.737 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 25.041 22.511 36.687 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 83.272 16.181 63.435 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 83.440 15.749 62.598 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 83.286 15.471 64.078 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 47.338 42.560 25.443 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 47.371 43.049 24.620 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 48.126 42.017 25.432 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 33.078 74.091 -14.796 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 32.789 73.853 -13.915 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 32.267 74.202 -15.292 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 58.132 55.001 33.660 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 57.874 55.920 33.728 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 57.835 54.732 32.791 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 31.368 60.555 14.831 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 32.194 60.347 15.267 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 31.192 59.796 14.276 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 75.149 34.218 -15.528 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 75.388 34.357 -14.611 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 75.933 33.837 -15.924 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 44.312 67.150 -8.209 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 43.668 67.585 -7.651 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 44.841 66.630 -7.604 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 20.782 78.903 11.311 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 21.047 78.100 10.862 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 21.396 78.984 12.040 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 40.153 48.586 29.361 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 40.224 47.686 29.044 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 40.424 49.125 28.618 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 52.365 56.111 16.832 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 52.596 55.683 17.657 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 52.851 55.625 16.166 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 74.248 3.880 43.429 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 74.388 4.826 43.425 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 73.315 3.775 43.240 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 68.162 86.505 59.974 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 67.866 85.897 59.297 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 68.132 87.365 59.554 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 84.302 65.698 28.573 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 83.504 65.263 28.875 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 84.926 64.985 28.437 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 34.523 87.440 62.762 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 33.640 87.807 62.806 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 34.462 86.611 63.237 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 66.632 67.438 46.997 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 66.721 66.513 47.229 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 65.879 67.466 46.407 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 29.540 28.583 33.608 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 29.137 28.379 32.764 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 29.127 29.403 33.880 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 40.806 50.005 27.195 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 40.304 50.325 26.445 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 41.714 50.003 26.893 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 22.986 63.368 -15.286 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 23.566 63.222 -16.033 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 22.620 64.241 -15.433 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 48.898 43.486 37.870 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 49.374 43.855 37.126 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 48.288 42.861 37.479 1.00 0.00 SOLV ATOM 3090 MG MG X 205 45.187 52.389 21.026 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 57.897 40.820 33.426 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 49.259 54.337 31.979 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 50.065 53.736 32.407 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 49.714 55.677 31.876 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 49.367 56.379 33.063 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 50.207 56.403 33.772 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 48.947 57.762 32.696 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 47.955 59.518 31.773 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 49.269 59.861 31.940 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 49.831 58.837 32.617 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 50.862 58.800 32.934 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 45.659 59.554 31.001 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 45.613 58.260 31.401 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 44.689 57.737 31.178 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 46.575 57.630 32.022 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 47.744 58.214 32.164 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 46.831 60.132 31.137 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 46.878 61.454 30.824 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 47.745 61.946 31.011 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 46.256 61.963 30.206 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 48.158 55.597 33.684 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 47.204 56.130 33.722 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 48.661 55.335 35.015 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 48.032 54.632 35.192 1.00 0.00 SAM ATOM 3115 N SAM X 301 49.582 58.721 28.790 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 50.600 58.581 28.892 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 49.501 59.645 28.335 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 49.263 58.812 29.768 1.00 0.00 SAM ATOM 3119 CA SAM X 301 48.958 57.551 27.885 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 49.550 57.515 26.969 1.00 0.00 SAM ATOM 3121 CB SAM X 301 48.962 56.274 28.749 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 48.542 56.500 29.731 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 48.361 55.520 28.236 1.00 0.00 SAM ATOM 3124 CG SAM X 301 50.328 55.640 28.964 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 50.768 55.539 27.968 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 51.043 56.210 29.562 1.00 0.00 SAM ATOM 3127 SD SAM X 301 50.267 53.918 29.482 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 48.917 53.667 30.559 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 48.837 52.591 30.735 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 48.004 54.123 30.168 1.00 0.00 SAM ATOM 3131 CE SAM X 301 49.616 53.170 28.004 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 48.706 53.582 27.562 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 49.598 52.114 28.286 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 50.374 53.231 27.219 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 48.041 54.372 32.858 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 47.058 54.466 32.389 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 47.945 53.244 33.665 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 47.145 53.232 34.195 1.00 0.00 SAM ATOM 3139 C SAM X 301 47.564 57.735 27.291 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 47.169 58.869 27.291 1.00 0.00 SAM O ATOM 3141 O SAM X 301 46.719 56.794 27.308 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 26.854 0.010 11.272 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 26.455 -0.371 10.490 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 26.557 0.920 11.274 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 27.852 21.940 55.709 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 27.566 22.585 56.356 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 28.800 22.063 55.651 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 88.306 88.002 32.923 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 87.384 87.774 32.803 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 88.500 88.600 32.201 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 83.825 84.883 10.433 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 84.349 85.606 10.090 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 84.439 84.368 10.957 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 89.703 9.402 59.096 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 88.814 9.048 59.080 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 90.213 8.792 58.563 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 49.938 6.482 -4.494 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 50.272 6.903 -3.702 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 49.024 6.281 -4.291 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 71.536 77.544 33.473 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 71.984 77.180 34.236 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 71.250 76.778 32.974 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 67.563 16.171 3.453 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 67.175 15.749 4.219 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 67.370 17.101 3.567 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 37.618 14.900 -4.578 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 36.700 15.164 -4.535 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 37.590 13.947 -4.667 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 21.842 91.927 18.893 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 22.749 92.232 18.867 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 21.320 92.729 18.929 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 37.096 46.475 14.639 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 37.895 46.897 14.955 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 37.399 45.666 14.227 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 51.546 33.965 42.770 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 51.391 33.662 41.875 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 52.237 34.622 42.684 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 46.356 93.863 -10.801 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 46.621 94.774 -10.669 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 46.127 93.812 -11.729 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 35.419 60.557 44.075 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 35.698 59.646 43.978 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 35.910 61.031 43.403 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 35.857 21.153 40.829 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 35.079 21.505 40.396 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 36.519 21.837 40.726 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 30.377 52.552 20.217 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 29.918 52.529 19.377 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 30.575 53.478 20.357 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 82.992 5.381 40.355 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 83.546 5.715 39.649 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 82.782 6.152 40.881 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 64.250 96.561 42.718 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 65.042 96.075 42.485 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 63.557 95.901 42.722 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 31.802 10.596 37.733 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 32.027 11.526 37.731 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 30.945 10.558 38.159 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 35.866 49.302 30.861 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 36.718 49.738 30.880 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 36.069 48.375 30.985 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 56.204 11.435 -15.664 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 56.788 11.113 -16.350 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 56.284 10.791 -14.960 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 42.476 18.744 3.396 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 42.491 18.063 2.723 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 43.022 19.445 3.039 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 39.169 92.259 66.023 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 38.946 91.992 65.131 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 39.927 92.834 65.919 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 79.520 62.622 4.799 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 79.897 62.959 3.987 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 80.186 62.029 5.146 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 41.739 79.714 18.030 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 41.464 78.797 17.996 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 42.211 79.793 18.859 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 85.825 75.172 3.909 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 86.251 74.376 4.226 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 86.505 75.628 3.414 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 89.007 18.582 -14.748 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 88.903 18.471 -13.803 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 88.458 17.897 -15.132 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 49.091 84.885 -19.552 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 48.500 84.390 -18.984 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 49.701 85.312 -18.951 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 52.201 65.975 -5.008 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 52.892 65.930 -4.348 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 51.850 66.862 -4.929 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 77.936 30.711 21.666 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 78.326 30.303 22.439 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 77.030 30.400 21.663 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 68.366 65.640 16.482 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 68.240 64.801 16.039 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 68.539 66.261 15.775 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 55.727 91.147 38.228 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 56.539 90.978 38.705 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 55.272 90.306 38.222 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 32.795 42.928 56.213 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 33.172 42.993 55.336 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 33.184 43.656 56.697 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 35.778 3.632 35.498 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 36.342 3.726 34.730 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 35.014 4.173 35.301 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 50.730 21.203 22.941 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 51.444 21.840 22.907 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 50.474 21.178 23.863 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 21.305 31.002 -8.405 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 20.818 30.765 -7.616 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 22.078 30.438 -8.387 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 36.690 28.274 1.262 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 35.886 27.829 0.993 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 36.875 27.928 2.135 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 87.217 46.541 -3.991 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 87.129 45.739 -4.506 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 86.559 46.457 -3.301 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 48.302 82.751 65.598 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 49.097 82.769 65.065 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 48.370 83.526 66.157 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 29.384 37.749 2.458 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 29.272 38.698 2.517 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 30.182 37.634 1.942 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 23.054 1.294 -2.303 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 23.001 0.375 -2.566 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 23.238 1.766 -3.115 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 27.428 -0.069 -11.289 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 27.501 0.642 -11.926 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 27.031 0.339 -10.519 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 82.909 15.933 -17.878 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 82.187 15.322 -17.730 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 83.046 16.354 -17.030 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 29.773 39.798 -15.412 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 30.198 40.579 -15.766 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 28.837 39.962 -15.527 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 40.575 61.066 3.312 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 41.351 61.604 3.470 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 40.890 60.165 3.387 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 48.861 34.104 53.373 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 49.468 33.385 53.197 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 49.346 34.893 53.130 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 32.361 3.959 4.161 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 31.713 4.591 4.471 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 32.588 4.259 3.280 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 90.129 33.283 -13.459 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 89.949 32.366 -13.668 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 90.097 33.732 -14.304 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 89.002 82.745 11.396 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 89.023 83.452 10.751 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 88.579 82.017 10.941 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 30.405 92.731 1.235 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 29.833 92.733 0.468 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 29.845 92.430 1.951 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 40.525 58.317 -7.430 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 40.280 59.172 -7.074 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 41.062 57.918 -6.745 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 66.718 67.790 -16.311 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 67.000 68.674 -16.548 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 66.134 67.526 -17.021 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 31.557 24.339 63.223 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 30.688 24.739 63.262 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 31.748 24.272 62.287 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 55.100 30.441 58.139 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 55.465 29.643 57.757 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 55.335 31.132 57.520 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 28.855 90.819 14.960 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 29.332 91.648 14.907 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 28.944 90.436 14.087 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 55.854 32.525 29.578 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 55.870 31.711 29.075 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 55.513 33.178 28.966 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 24.222 17.831 63.977 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 24.105 18.405 64.734 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 23.332 17.636 63.684 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 67.233 90.385 -12.552 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 66.745 89.563 -12.595 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 66.585 91.035 -12.281 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 74.730 11.034 -3.585 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 74.767 10.183 -3.149 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 74.951 10.847 -4.497 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 47.449 10.844 50.018 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 46.760 10.411 49.514 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 48.147 11.004 49.382 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 61.030 66.709 27.691 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 60.685 66.577 26.808 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 60.952 65.853 28.110 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 34.987 51.792 -13.179 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 35.233 52.386 -12.470 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 34.536 51.070 -12.742 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 71.484 27.729 -14.598 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 72.249 28.282 -14.438 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 70.760 28.191 -14.175 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 46.093 7.677 12.080 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 45.741 7.598 12.967 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 45.427 8.171 11.601 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 27.665 86.239 6.756 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 26.914 86.738 7.077 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 28.352 86.893 6.630 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 43.849 34.930 54.204 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 44.657 35.377 54.456 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 44.080 34.445 53.411 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 88.150 43.897 14.097 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 87.935 43.514 13.247 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 87.381 43.723 14.640 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 87.204 18.581 37.964 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 87.282 19.405 37.482 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 86.363 18.219 37.686 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 36.717 80.810 9.842 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 36.367 79.924 9.936 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 37.532 80.801 10.344 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 40.769 39.965 18.450 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 41.285 39.941 17.643 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 41.271 39.438 19.071 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 61.343 81.602 18.757 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 61.216 82.071 17.932 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 62.175 81.933 19.095 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 34.383 19.951 10.126 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 34.500 19.732 11.050 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 34.747 19.202 9.654 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 84.085 37.131 4.849 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 84.573 36.952 5.653 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 84.716 36.973 4.146 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 26.415 49.535 44.376 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 27.344 49.643 44.578 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 26.099 48.906 45.025 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 61.937 45.006 7.596 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 62.283 45.697 8.162 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 62.204 44.191 8.022 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 81.425 14.900 4.649 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 82.259 14.848 5.116 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 81.222 15.835 4.623 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 86.018 82.494 -7.761 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 86.970 82.400 -7.755 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 85.786 82.648 -6.845 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 77.189 26.354 36.967 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 76.504 26.200 36.316 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 77.995 26.063 36.540 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 75.622 53.600 56.535 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 74.852 53.041 56.634 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 75.319 54.334 56.001 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 57.008 11.738 47.225 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 57.891 11.938 46.915 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 56.435 12.289 46.692 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 29.691 9.910 39.573 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 29.667 9.620 40.485 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 28.776 10.087 39.353 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 40.623 80.384 54.265 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 41.352 80.356 54.885 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 40.309 81.288 54.305 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 75.385 58.540 48.627 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 74.975 57.769 48.234 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 74.755 58.838 49.284 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 82.240 15.006 -7.275 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 82.777 14.541 -6.633 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 82.109 14.374 -7.982 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 23.787 72.551 35.635 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 24.314 72.864 34.900 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 22.924 72.381 35.257 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 56.435 82.334 -15.765 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 55.563 82.276 -16.156 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 56.694 81.424 -15.621 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 74.959 9.149 -1.334 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 75.532 9.654 -0.756 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 75.213 8.238 -1.187 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 41.570 19.248 -8.799 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 41.796 18.794 -7.988 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 42.183 19.982 -8.841 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 83.205 39.408 12.449 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 84.021 39.859 12.664 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 82.980 38.926 13.245 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 45.255 91.320 48.752 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 45.351 90.596 49.371 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 44.968 90.904 47.939 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 85.002 46.008 27.593 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 84.279 45.686 28.131 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 84.905 46.961 27.608 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 43.023 70.141 59.499 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 43.394 70.459 58.676 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 42.655 69.285 59.281 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 52.477 57.235 -9.194 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 51.884 57.250 -9.946 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 53.142 57.892 -9.400 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 84.041 75.767 9.701 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 84.512 74.977 9.436 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 83.611 76.070 8.902 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 30.611 43.451 17.695 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 29.911 42.945 17.281 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 30.985 43.970 16.983 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 71.926 18.037 29.589 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 71.039 18.163 29.252 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 71.848 18.181 30.532 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 66.839 69.183 52.924 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 67.571 68.908 52.372 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 66.064 68.824 52.491 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 28.837 45.622 49.201 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 29.580 45.973 48.710 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 28.083 46.121 48.885 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 80.778 8.666 46.851 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 81.036 7.744 46.827 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 79.843 8.659 46.647 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 54.183 72.980 -16.922 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 53.511 73.125 -16.256 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 54.438 73.859 -17.202 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 27.611 79.083 41.533 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 28.547 79.261 41.441 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 27.220 79.438 40.735 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 58.427 12.486 9.286 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 57.937 12.978 8.628 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 58.402 11.581 8.977 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 70.998 8.590 66.948 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 70.505 9.298 67.362 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 70.561 7.790 67.241 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 25.469 21.063 -2.843 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 26.269 21.585 -2.910 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 24.895 21.575 -2.273 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 74.030 43.291 19.243 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 73.742 43.468 18.348 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 73.254 42.944 19.682 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 85.283 71.964 15.662 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 85.565 71.505 14.871 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 85.412 71.330 16.367 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 36.917 2.781 13.514 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 36.517 3.343 14.178 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 37.764 2.535 13.886 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 87.298 42.922 45.478 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 86.489 42.793 45.973 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 87.875 42.217 45.772 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 31.057 37.765 7.029 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 31.488 37.210 6.380 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 31.245 38.659 6.743 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 80.838 53.804 19.788 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 79.902 53.630 19.694 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 80.972 54.642 19.346 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 90.844 42.473 37.172 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 90.299 43.260 37.190 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 90.712 42.110 36.296 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 58.475 10.009 5.323 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 58.366 10.557 4.545 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 59.182 9.405 5.094 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 68.675 91.097 -15.904 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 68.895 91.486 -15.057 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 68.208 90.291 -15.683 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 78.146 49.495 2.078 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 77.532 50.214 1.929 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 77.949 49.189 2.963 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 47.404 36.126 -0.365 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 46.973 36.633 0.323 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 48.297 35.997 -0.044 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 75.405 56.253 32.853 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 75.195 56.005 31.953 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 74.881 57.037 33.015 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 67.450 52.196 -1.600 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 67.755 52.759 -0.889 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 66.984 52.788 -2.191 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 89.822 59.434 32.329 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 90.178 58.638 31.934 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 88.937 59.191 32.601 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 33.832 4.658 45.243 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 33.506 5.540 45.067 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 34.678 4.620 44.795 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 79.199 67.953 18.216 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 78.391 67.460 18.071 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 79.013 68.826 17.872 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 24.220 36.795 42.237 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 24.933 36.316 41.815 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 24.127 36.380 43.094 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 77.612 17.784 3.857 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 76.803 17.769 3.345 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 77.667 18.678 4.193 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 54.813 3.182 16.968 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 55.090 3.381 17.862 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 55.581 3.377 16.430 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 76.588 14.423 58.447 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 77.051 14.435 57.609 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 77.009 13.721 58.943 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 76.815 3.820 40.155 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 77.098 4.279 39.365 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 77.265 2.976 40.117 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 27.457 36.732 -3.391 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 27.497 36.579 -4.335 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 28.104 37.419 -3.232 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 23.876 36.320 21.606 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 24.601 36.861 21.295 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 23.091 36.762 21.283 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 47.928 54.112 0.581 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 48.184 55.012 0.781 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 47.832 53.694 1.437 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 90.723 53.456 2.957 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 89.951 53.770 3.427 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 91.229 52.982 3.617 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 61.349 29.217 60.367 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 62.125 28.707 60.599 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 61.226 29.816 61.103 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 28.075 1.686 39.169 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 27.300 2.193 38.927 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 28.329 2.029 40.026 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 73.499 43.137 31.633 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 72.800 42.634 31.215 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 73.160 44.031 31.673 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 47.139 21.624 -18.068 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 47.069 22.406 -17.520 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 47.233 20.903 -17.445 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 42.318 21.699 3.216 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 43.129 22.093 2.894 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 42.211 22.055 4.098 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 25.928 33.674 42.211 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 25.571 34.012 43.033 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 26.311 32.828 42.445 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 83.335 32.116 40.395 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 83.920 32.335 39.670 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 83.754 31.370 40.824 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 64.409 23.917 41.613 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 63.909 23.333 42.184 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 64.874 23.329 41.018 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 73.624 82.622 56.803 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 74.204 82.273 56.126 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 72.928 83.066 56.317 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 71.565 55.510 31.559 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 71.098 56.170 31.048 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 71.404 54.688 31.094 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 65.757 86.881 -2.080 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 66.352 87.159 -1.384 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 66.127 86.058 -2.398 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 44.902 59.308 -10.403 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 45.582 59.755 -9.899 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 44.151 59.901 -10.373 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 89.518 84.426 9.085 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 90.166 84.851 9.647 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 90.004 83.731 8.641 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 89.226 60.112 22.780 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 88.650 60.530 22.140 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 88.831 59.253 22.933 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 77.201 12.934 -1.793 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 76.539 13.212 -2.426 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 76.701 12.531 -1.083 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 69.792 30.630 48.035 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 69.664 31.550 48.267 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 69.118 30.453 47.379 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 46.270 30.440 50.278 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 45.356 30.578 50.029 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 46.751 31.126 49.814 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 36.289 26.966 -12.108 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 36.182 26.501 -12.938 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 37.236 27.068 -12.010 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 38.917 31.972 62.832 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 39.767 31.789 63.232 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 38.354 31.257 63.126 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 34.841 25.187 -4.324 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 34.614 24.914 -5.212 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 34.188 24.763 -3.768 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 58.414 10.921 27.206 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 58.696 11.732 26.782 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 58.439 11.119 28.142 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 85.965 49.135 66.745 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 85.667 50.042 66.678 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 85.692 48.731 65.922 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 54.724 52.502 -2.716 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 54.606 52.999 -3.525 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 54.086 52.877 -2.109 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 48.296 57.430 5.753 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 48.818 57.082 6.476 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 48.754 58.228 5.489 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 59.123 52.532 -18.691 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 58.927 53.443 -18.473 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 58.312 52.196 -19.072 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 80.209 4.596 -0.763 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 79.471 5.204 -0.712 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 80.948 5.139 -1.036 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 60.369 28.441 37.359 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 61.128 27.881 37.197 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 60.194 28.858 36.515 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 31.164 37.176 -12.063 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 30.826 36.775 -11.262 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 30.823 38.070 -12.046 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 75.656 10.006 52.887 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 76.383 9.692 52.349 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 74.906 9.479 52.609 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 49.468 29.661 37.037 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 49.470 28.784 36.652 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 48.971 30.194 36.417 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 40.273 55.617 16.510 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 39.918 55.010 17.160 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 40.670 56.318 17.027 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 53.252 32.071 51.926 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 53.207 32.177 50.976 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 53.953 32.661 52.201 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 32.401 14.990 64.560 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 31.732 14.992 63.876 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 33.153 15.428 64.162 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 49.499 45.647 10.025 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 49.107 45.088 10.695 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 50.434 45.646 10.229 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 84.606 46.706 64.821 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 84.752 47.480 64.276 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 85.267 46.078 64.529 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 56.101 61.071 62.478 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 55.637 60.271 62.726 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 56.778 61.173 63.146 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 68.019 10.804 34.318 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 68.729 11.429 34.465 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 67.291 11.140 34.840 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 39.265 72.577 22.663 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 39.450 72.218 23.531 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 40.014 73.142 22.473 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 71.229 61.858 21.477 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 70.901 61.002 21.749 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 70.497 62.456 21.630 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 22.420 39.787 47.247 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 23.146 40.410 47.216 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 22.383 39.418 46.364 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 62.812 32.940 17.228 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 62.607 32.009 17.139 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 62.025 33.389 16.920 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 72.871 47.413 66.935 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 72.355 48.215 66.857 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 73.334 47.506 67.768 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 20.990 51.334 11.304 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 21.938 51.204 11.328 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 20.862 52.056 10.688 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 85.716 85.985 36.816 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 85.424 85.585 37.635 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 84.954 86.472 36.502 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 22.420 37.901 0.647 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 22.571 37.036 1.026 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 23.166 38.425 0.938 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 35.772 36.874 24.857 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 36.525 36.432 25.250 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 36.064 37.110 23.977 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 39.325 28.462 0.299 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 39.098 27.561 0.068 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 38.540 28.804 0.728 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 30.576 18.408 49.941 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 31.261 17.953 49.452 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 29.924 17.733 50.127 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 41.541 42.441 -11.684 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 40.708 42.890 -11.538 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 41.462 41.622 -11.193 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 41.008 87.422 24.776 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 41.815 87.543 24.276 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 40.412 86.984 24.169 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 35.301 54.287 -1.278 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 35.558 55.070 -0.793 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 36.040 53.687 -1.175 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 42.260 8.770 -8.559 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 42.989 8.153 -8.489 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 41.892 8.806 -7.676 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 73.099 21.547 53.318 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 73.723 20.893 53.004 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 72.757 21.181 54.133 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 53.007 34.019 45.278 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 52.537 33.666 46.034 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 52.345 34.079 44.590 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 34.066 95.391 63.265 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 33.374 95.793 63.790 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 34.566 94.865 63.890 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 27.262 3.663 -0.236 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 28.104 3.225 -0.109 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 26.637 3.127 0.251 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 66.391 19.452 -1.815 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 65.453 19.269 -1.866 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 66.787 18.613 -1.579 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 26.926 62.143 15.134 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 26.846 61.559 15.888 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 27.857 62.364 15.100 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 26.970 10.092 44.172 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 26.510 10.928 44.247 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 26.276 9.434 44.189 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 87.626 40.408 10.922 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 88.373 40.055 10.438 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 86.860 40.123 10.424 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 74.534 62.546 65.546 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 74.227 62.134 64.739 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 75.447 62.773 65.367 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 67.792 94.563 11.641 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 68.103 94.794 10.766 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 68.558 94.187 12.076 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 64.847 36.269 0.010 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 65.557 36.693 -0.474 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 65.278 35.869 0.766 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 51.651 15.234 16.093 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 50.842 15.555 15.693 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 51.365 14.542 16.689 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 79.328 47.803 -12.271 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 78.920 48.487 -11.740 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 79.746 48.275 -12.991 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 20.797 42.904 65.773 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 20.200 42.162 65.875 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 20.519 43.529 66.442 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 55.314 44.574 -19.446 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 54.398 44.546 -19.168 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 55.809 44.668 -18.632 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 54.845 85.233 -11.539 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 54.515 84.459 -11.996 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 54.610 85.089 -10.623 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 68.805 50.502 37.519 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 68.616 50.011 36.720 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 68.067 51.104 37.611 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 35.721 53.519 3.721 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 36.649 53.300 3.809 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 35.716 54.431 3.433 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 55.473 20.913 25.191 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 55.138 20.837 24.298 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 54.859 21.504 25.628 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 40.170 40.893 10.652 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 40.243 40.222 9.974 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 41.072 41.163 10.821 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 84.366 16.031 47.629 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 83.915 15.704 46.850 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 83.963 15.557 48.356 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 90.163 46.638 32.742 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 89.314 46.710 33.177 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 89.957 46.325 31.862 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 72.557 5.623 63.468 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 72.575 5.522 62.516 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 71.794 5.118 63.749 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 66.125 21.574 39.920 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 66.839 22.193 39.766 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 66.445 21.007 40.621 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 71.338 48.364 42.851 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 71.308 47.916 42.006 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 70.510 48.843 42.899 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 51.390 84.720 21.294 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 50.995 83.849 21.265 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 52.320 84.557 21.452 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 83.474 44.318 16.174 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 83.782 44.486 17.064 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 82.522 44.399 16.230 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 51.595 70.491 40.787 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 51.164 70.107 40.024 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 51.920 69.740 41.282 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 82.387 13.017 52.469 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 83.249 12.612 52.574 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 81.960 12.498 51.788 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 48.414 32.211 14.226 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 48.781 32.526 15.052 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 47.603 32.709 14.119 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 82.131 31.772 -0.851 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 82.811 32.433 -0.718 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 82.119 31.273 -0.035 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 64.632 27.997 50.357 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 65.163 28.331 49.633 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 64.833 28.579 51.090 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 38.916 35.251 -9.745 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 38.689 35.516 -8.854 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 38.221 35.618 -10.290 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 23.334 85.534 55.123 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 22.465 85.272 54.816 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 23.204 85.762 56.043 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 23.450 31.740 8.504 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 23.689 31.459 9.387 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 23.559 32.691 8.516 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 73.222 88.686 50.603 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 73.664 88.166 51.274 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 73.479 89.589 50.791 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 45.981 25.019 50.294 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 46.357 25.671 49.703 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 45.453 25.529 50.909 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 25.533 47.869 -9.745 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 26.175 48.495 -9.413 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 25.366 48.151 -10.645 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 90.724 20.775 -9.834 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 90.733 21.710 -10.039 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 90.534 20.736 -8.896 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 52.814 1.152 59.553 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 53.625 0.685 59.754 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 53.077 2.069 59.479 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 36.091 53.515 -15.280 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 35.529 53.054 -14.656 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 36.679 54.036 -14.734 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 82.759 42.479 66.801 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 82.130 42.922 66.231 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 83.132 41.787 66.254 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 57.674 91.377 40.853 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 57.430 90.529 40.481 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 58.554 91.241 41.204 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 80.279 42.922 -13.712 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 80.360 42.396 -12.916 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 79.428 43.352 -13.630 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 26.272 81.154 25.932 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 26.111 81.016 26.865 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 26.575 82.060 25.871 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 36.344 60.940 -4.151 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 36.039 61.794 -4.459 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 36.976 61.146 -3.462 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 82.205 47.548 -0.737 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 81.693 47.520 0.072 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 82.511 48.454 -0.795 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 39.681 42.398 -4.705 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 40.518 41.980 -4.503 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 39.918 43.274 -5.009 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 67.706 53.203 26.329 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 67.521 53.866 26.994 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 67.093 53.397 25.620 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 36.650 14.963 34.251 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 36.281 15.842 34.338 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 37.084 14.968 33.398 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 76.898 62.507 18.308 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 76.615 61.734 17.821 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 76.748 63.237 17.708 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 76.856 21.147 -17.359 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 76.497 21.598 -18.124 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 77.799 21.114 -17.521 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 86.859 41.608 22.434 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 87.509 42.274 22.210 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 86.302 41.545 21.658 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 73.491 50.009 19.020 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 72.771 49.831 18.414 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 73.694 49.158 19.408 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 80.358 37.482 0.516 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 81.105 38.068 0.396 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 79.593 38.031 0.346 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 34.877 15.855 -16.514 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 35.170 16.764 -16.444 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 35.425 15.378 -15.891 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 46.611 42.390 22.382 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 45.809 42.697 21.959 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 47.316 42.827 21.905 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 36.686 39.532 62.619 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 36.586 40.204 63.294 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 37.293 39.917 61.986 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 31.249 89.280 40.416 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 31.947 88.694 40.707 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 30.746 88.761 39.788 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 32.581 75.913 29.586 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 31.942 75.492 29.010 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 33.099 76.469 29.003 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 26.188 25.804 62.994 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 26.034 25.433 62.125 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 26.107 26.750 62.868 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 54.049 9.621 61.904 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 54.966 9.422 62.095 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 53.905 9.268 61.026 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 65.398 93.653 -5.727 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 66.153 93.068 -5.668 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 65.635 94.406 -5.185 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 79.388 66.747 5.234 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 80.061 66.619 4.565 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 78.578 66.451 4.817 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 21.465 59.607 45.906 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 21.339 58.714 45.585 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 22.054 60.010 45.268 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 66.526 19.234 46.966 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 66.637 20.101 46.575 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 66.102 19.402 47.807 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 22.420 48.826 7.172 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 22.618 49.739 7.382 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 22.249 48.416 8.020 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 80.757 74.592 -6.279 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 80.195 74.515 -5.508 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 81.350 75.314 -6.072 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 52.605 76.241 36.144 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 52.239 75.371 35.986 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 52.528 76.690 35.302 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 37.057 71.236 4.154 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 37.395 70.730 4.893 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 36.940 72.120 4.502 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 83.375 37.391 20.623 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 83.696 36.970 21.420 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 82.932 36.692 20.144 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 47.051 5.460 57.108 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 46.687 5.486 56.223 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 47.773 6.089 57.089 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 40.835 38.602 9.070 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 41.124 37.910 9.665 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 41.629 39.103 8.881 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 63.818 53.413 29.674 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 62.873 53.339 29.806 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 63.940 53.288 28.733 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 68.904 95.321 37.474 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 68.317 94.746 36.983 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 69.626 94.753 37.743 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 48.451 65.897 56.069 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 48.726 65.077 55.659 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 49.266 66.378 56.212 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 56.560 9.766 -4.315 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 56.356 9.472 -3.427 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 56.952 10.632 -4.196 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 79.615 26.761 -18.973 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 80.011 26.984 -19.816 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 80.348 26.762 -18.356 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 65.190 14.857 56.153 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 65.959 14.531 56.621 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 64.812 14.080 55.742 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 72.619 26.707 33.179 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 73.397 26.776 32.626 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 72.478 27.596 33.505 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 50.985 38.347 43.723 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 51.486 39.149 43.866 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 50.117 38.650 43.455 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 29.058 28.062 3.222 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 28.872 28.701 3.910 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 28.356 28.186 2.583 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 89.138 68.534 15.973 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 89.249 67.636 15.661 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 90.017 68.912 15.934 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 70.565 15.627 -18.666 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 69.921 15.024 -19.038 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 70.303 16.488 -18.991 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 68.429 19.320 -5.087 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 68.824 19.319 -4.215 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 67.873 18.541 -5.099 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 35.129 0.991 41.276 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 35.188 0.784 42.209 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 34.280 0.640 41.006 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 34.488 64.459 65.005 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 33.608 64.119 64.844 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 34.959 64.302 64.186 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 23.216 73.378 31.227 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 23.465 73.356 32.151 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 23.984 73.044 30.764 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 73.238 28.689 41.329 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 72.402 28.223 41.367 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 73.583 28.491 40.458 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 75.720 44.566 63.887 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 75.287 45.418 63.934 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 75.306 44.048 64.578 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 20.376 13.526 37.723 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 20.482 14.454 37.930 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 21.190 13.284 37.281 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 42.959 9.475 52.636 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 43.200 9.558 53.559 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 43.752 9.717 52.158 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 57.168 35.893 1.216 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 56.427 35.305 1.366 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 56.818 36.768 1.385 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 66.010 74.391 53.978 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 66.855 74.836 53.913 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 66.232 73.483 54.185 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 27.701 22.613 48.384 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 27.339 22.175 49.154 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 28.627 22.369 48.381 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 90.214 78.784 57.715 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 89.884 78.142 57.086 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 89.488 78.918 58.325 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 89.864 47.390 -8.578 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 90.351 46.603 -8.333 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 88.999 47.268 -8.186 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 32.085 24.973 50.359 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 32.241 24.064 50.615 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 31.937 24.934 49.414 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 71.261 58.172 29.626 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 70.809 58.979 29.378 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 70.766 57.478 29.192 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 67.109 48.678 29.331 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 66.439 48.288 29.892 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 66.677 49.432 28.929 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 30.663 76.379 41.784 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 29.726 76.574 41.825 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 30.726 75.624 41.199 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 83.515 43.591 8.673 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 83.881 43.205 9.469 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 83.699 42.949 7.988 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 26.849 52.304 38.150 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 26.933 53.197 37.815 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 26.410 51.824 37.448 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 80.610 62.496 1.589 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 79.749 62.181 1.864 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 80.724 62.143 0.706 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 69.265 35.259 57.865 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 68.476 34.858 58.230 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 69.200 36.182 58.110 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 58.695 88.589 62.364 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 58.987 87.945 61.719 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 59.439 88.689 62.957 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 41.758 56.963 40.769 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 42.327 57.733 40.795 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 41.441 56.930 39.866 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 87.542 40.531 19.634 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 87.580 41.487 19.639 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 86.858 40.321 18.998 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 75.968 44.210 24.945 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 76.587 44.937 24.884 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 75.757 44.153 25.877 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 74.429 44.009 -12.134 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 74.759 44.874 -12.377 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 73.477 44.092 -12.185 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 41.551 80.657 23.557 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 41.529 80.303 24.446 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 42.482 80.779 23.371 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 47.764 2.442 26.270 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 47.046 2.338 26.895 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 47.611 3.297 25.869 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 56.970 6.845 7.485 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 57.418 7.176 8.264 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 56.438 6.117 7.806 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 39.164 48.894 -11.210 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 39.381 49.419 -10.439 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 40.010 48.708 -11.619 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 60.756 25.597 15.093 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 59.920 25.897 14.735 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 61.050 26.317 15.651 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 28.382 45.401 15.621 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 29.118 45.950 15.353 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 27.608 45.941 15.459 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 74.616 83.458 17.316 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 74.612 84.131 17.997 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 75.521 83.436 17.006 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 46.333 67.335 -10.311 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 45.531 67.531 -9.827 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 46.706 66.576 -9.860 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 35.251 80.057 -0.938 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 36.044 80.582 -1.043 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 35.485 79.196 -1.284 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 51.195 91.606 4.088 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 51.488 90.696 4.141 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 51.557 92.021 4.871 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 46.857 59.337 -19.421 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 47.247 60.201 -19.554 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 47.491 58.727 -19.799 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 89.012 53.613 33.190 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 89.279 54.389 32.699 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 88.058 53.592 33.108 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 61.104 1.580 56.016 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 61.760 1.222 56.614 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 60.671 2.270 56.520 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 22.836 35.724 29.794 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 21.904 35.931 29.725 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 23.253 36.271 29.128 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 51.147 36.830 46.040 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 52.097 36.885 46.145 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 50.981 37.192 45.169 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 36.689 48.201 41.956 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 37.460 48.762 41.873 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 37.021 47.393 42.347 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 45.457 93.340 54.387 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 46.095 92.710 54.052 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 45.499 94.074 53.773 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 79.103 59.303 49.904 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 79.802 59.456 49.269 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 78.508 60.044 49.790 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 74.669 60.821 0.512 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 74.170 61.131 1.268 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 74.270 59.980 0.290 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 46.403 36.630 -12.744 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 45.586 36.186 -12.518 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 46.982 35.928 -13.044 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 75.454 10.560 -12.553 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 76.151 9.905 -12.591 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 75.628 11.050 -11.749 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 32.475 66.525 26.100 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 33.349 66.820 26.357 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 32.485 66.550 25.144 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 47.935 36.280 8.265 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 47.757 37.029 7.696 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 47.516 36.506 9.096 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 29.866 59.086 -11.552 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 30.271 58.308 -11.936 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 29.173 58.742 -10.988 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 35.535 31.026 19.235 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 35.458 31.916 18.891 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 34.913 30.514 18.718 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 37.010 25.988 -7.459 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 37.710 25.377 -7.689 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 37.293 26.376 -6.631 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 21.355 89.147 35.371 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 20.779 89.377 34.642 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 20.867 89.403 36.154 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 38.180 61.825 -13.886 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 37.819 62.711 -13.879 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 37.430 61.259 -13.700 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 76.679 8.727 -9.159 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 76.654 9.519 -8.622 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 77.495 8.294 -8.909 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 87.703 68.760 7.761 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 87.928 69.467 8.366 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 88.138 67.988 8.122 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 60.271 75.732 58.709 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 60.602 74.955 58.260 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 60.315 76.427 58.052 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 71.942 49.903 38.229 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 71.104 49.448 38.149 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 71.945 50.244 39.123 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 52.920 50.850 41.114 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 52.530 49.977 41.066 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 53.567 50.785 41.817 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 58.978 55.964 -12.595 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 59.824 56.059 -13.033 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 59.174 56.089 -11.666 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 36.359 23.895 66.389 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 36.180 23.197 65.759 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 35.614 23.873 66.990 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 48.925 37.844 60.280 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 49.035 38.702 60.688 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 48.841 38.031 59.345 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 86.095 51.601 19.686 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 86.646 50.914 19.311 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 85.577 51.923 18.948 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 81.738 69.933 51.168 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 81.392 69.043 51.226 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 82.665 69.845 51.389 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 65.485 23.186 59.126 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 64.807 23.862 59.111 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 65.136 22.509 59.706 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 76.297 66.820 19.353 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 75.640 66.167 19.113 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 76.276 66.842 20.310 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 89.336 92.542 11.653 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 89.705 92.555 12.537 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 88.728 91.803 11.658 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 33.092 28.257 32.177 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 33.941 28.696 32.135 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 32.820 28.171 31.263 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 79.488 55.167 1.599 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 79.636 54.684 0.786 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 78.778 55.775 1.391 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 30.433 72.724 11.152 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 31.003 72.118 11.626 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 30.250 73.422 11.781 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 28.741 22.801 39.631 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 28.797 23.731 39.849 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 27.817 22.657 39.427 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 30.296 67.866 18.227 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 30.878 67.256 17.775 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 30.791 68.144 18.998 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 35.226 40.703 27.395 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 35.719 40.558 26.587 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 35.346 39.897 27.897 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 74.100 76.533 28.659 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 73.162 76.396 28.523 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 74.329 75.934 29.369 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 69.869 59.006 16.713 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 69.432 58.183 16.493 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 69.280 59.432 17.336 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 77.810 71.877 66.253 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 77.205 72.609 66.133 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 77.387 71.320 66.906 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 90.705 18.858 -1.310 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 90.842 19.746 -1.642 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 89.760 18.796 -1.175 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 72.858 42.646 50.711 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 72.909 41.771 51.096 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 73.588 42.679 50.092 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 45.577 10.913 57.337 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 45.615 10.647 56.419 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 44.851 10.408 57.703 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 75.116 32.738 29.731 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 74.228 33.026 29.518 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 75.080 31.783 29.667 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 34.334 18.322 4.036 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 35.138 18.755 4.321 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 33.640 18.950 4.235 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 26.992 63.021 -0.456 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 27.351 63.813 -0.858 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 27.418 62.972 0.400 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 35.190 7.387 5.660 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 35.353 6.509 6.003 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 34.306 7.343 5.297 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 61.492 72.762 3.903 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 61.337 73.182 4.749 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 61.238 71.849 4.038 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 63.468 32.990 58.040 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 62.519 33.045 57.924 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 63.725 33.865 58.331 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 40.865 78.522 6.522 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 41.382 77.730 6.371 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 40.060 78.207 6.933 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 71.694 25.226 -16.198 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 72.138 25.696 -15.491 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 72.347 25.170 -16.895 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 42.591 90.549 17.851 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 43.419 90.958 18.105 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 42.843 89.694 17.504 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 26.730 59.046 31.620 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 26.499 59.406 30.764 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 27.665 58.852 31.555 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 28.418 60.930 3.311 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 27.522 60.877 3.643 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 28.969 60.838 4.089 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 83.093 34.391 -16.258 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 82.277 34.888 -16.205 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 83.781 35.057 -16.241 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 80.959 55.682 61.597 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 81.560 56.295 62.020 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 80.600 56.171 60.857 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 23.449 87.747 15.710 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 23.833 87.349 16.492 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 23.332 87.017 15.102 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 60.866 66.556 39.259 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 60.030 66.362 38.835 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 60.966 65.868 39.918 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 38.928 68.166 54.462 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 39.273 67.287 54.622 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 39.280 68.409 53.605 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 26.047 94.304 48.859 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 26.698 94.433 48.169 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 26.559 94.061 49.630 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 21.152 2.290 56.231 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 21.633 1.525 56.546 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 20.659 2.594 56.993 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 20.905 84.909 16.794 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 21.816 84.865 17.082 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 20.525 85.622 17.307 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 59.406 7.156 -5.628 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 60.047 6.509 -5.335 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 58.568 6.828 -5.301 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 32.282 96.126 56.204 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 31.357 96.364 56.141 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 32.470 95.676 55.380 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 41.641 46.208 52.889 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 41.709 45.799 52.027 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 40.699 46.279 53.047 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 64.678 59.334 64.263 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 64.722 60.251 64.531 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 64.266 59.356 63.399 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 57.193 9.104 11.665 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 57.424 10.030 11.734 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 56.864 8.872 12.533 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 54.951 93.680 -15.584 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 55.525 93.178 -16.162 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 54.631 93.040 -14.948 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 77.596 41.969 3.819 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 76.934 42.660 3.808 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 77.473 41.532 4.661 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 30.078 11.111 -13.502 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 30.913 10.836 -13.123 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 30.256 11.196 -14.438 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 82.624 38.493 -7.543 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 82.371 38.062 -6.727 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 82.283 39.384 -7.461 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 53.157 34.072 4.036 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 53.646 33.255 4.138 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 52.238 33.809 4.088 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 27.689 84.643 2.406 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 28.433 84.421 2.966 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 27.760 84.043 1.663 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 85.361 39.791 50.106 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 84.903 39.025 50.452 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 85.576 40.312 50.880 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 76.605 70.188 54.304 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 76.683 71.133 54.169 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 76.164 69.869 53.517 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 23.393 44.511 11.167 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 22.634 45.094 11.145 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 23.759 44.629 12.044 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 20.991 24.765 51.931 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 20.677 24.854 52.830 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 21.735 24.166 51.995 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 64.758 35.497 67.259 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 63.837 35.747 67.179 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 64.841 34.710 66.720 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 69.108 1.891 20.031 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 69.123 2.276 20.908 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 68.998 2.638 19.443 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 78.935 42.264 -17.619 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 78.382 42.253 -18.400 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 78.827 43.145 -17.261 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 34.865 13.557 -9.388 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 33.980 13.886 -9.545 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 34.744 12.626 -9.200 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 64.077 89.744 44.671 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 63.959 90.292 43.895 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 64.283 88.877 44.324 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 90.303 70.284 -16.018 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 90.467 71.156 -15.660 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 90.828 69.698 -15.474 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 65.486 63.933 -16.081 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 66.025 63.915 -16.872 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 65.523 64.843 -15.786 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 66.645 51.800 5.838 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 65.834 51.937 6.327 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 67.339 51.905 6.489 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 30.671 33.315 22.869 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 30.536 32.390 23.073 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 31.229 33.310 22.092 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 79.389 66.823 0.158 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 79.673 66.787 -0.756 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 80.042 66.307 0.632 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 31.361 21.972 16.376 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 30.844 22.739 16.623 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 31.552 22.102 15.447 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 63.119 42.065 65.155 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 63.126 41.125 64.974 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 62.219 42.338 64.974 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 22.835 84.560 36.325 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 23.281 84.016 35.676 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 22.939 84.084 37.150 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 31.013 45.291 23.806 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 31.560 45.469 23.041 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 30.225 45.816 23.665 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 31.875 31.627 57.755 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 31.891 31.141 56.931 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 30.966 31.912 57.848 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 72.326 42.079 -6.168 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 72.416 42.031 -5.217 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 71.451 42.441 -6.309 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 29.276 19.875 15.609 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 28.726 20.554 16.001 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 30.092 19.910 16.108 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 38.511 61.631 13.144 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 39.103 62.082 12.542 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 38.837 61.858 14.015 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 80.054 23.918 65.716 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 80.859 24.391 65.928 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 79.522 24.553 65.237 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 52.340 61.325 11.164 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 52.044 61.382 12.072 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 53.278 61.512 11.205 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 65.330 45.586 -7.733 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 65.000 45.285 -8.580 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 64.554 45.909 -7.274 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 51.947 2.536 6.693 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 51.231 3.077 7.025 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 51.585 2.109 5.916 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 33.444 85.095 -7.694 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 32.543 85.389 -7.561 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 33.654 85.361 -8.589 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 62.677 50.304 51.621 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 62.892 49.977 50.747 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 63.320 49.892 52.197 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 76.612 51.739 45.397 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 76.224 52.525 45.013 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 77.181 51.392 44.710 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 84.515 9.892 -4.389 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 84.337 10.819 -4.548 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 85.170 9.658 -5.047 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 41.830 88.667 46.832 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 41.072 88.779 46.259 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 41.987 89.539 47.196 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 84.787 57.526 2.656 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 84.043 57.030 2.314 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 84.669 57.512 3.606 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 27.699 84.335 -7.205 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 27.790 84.234 -6.257 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 26.931 83.809 -7.429 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 76.827 74.598 27.051 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 76.405 74.085 26.362 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 77.409 73.977 27.489 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 22.353 64.478 10.259 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 21.821 65.259 10.408 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 22.559 64.503 9.324 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 47.275 87.746 9.921 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 46.903 87.615 10.793 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 48.064 87.204 9.912 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 39.635 38.061 -18.782 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 39.338 37.984 -19.688 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 38.884 38.425 -18.313 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 62.842 33.228 22.390 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 62.348 32.525 21.966 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 63.725 32.873 22.491 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 71.680 75.408 28.359 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 71.295 74.893 29.068 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 70.990 76.021 28.106 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 62.298 6.373 -2.998 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 62.022 7.285 -3.086 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 63.217 6.373 -3.264 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 35.667 93.497 54.430 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 36.197 93.430 53.636 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 36.173 94.067 55.009 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 73.210 50.702 24.574 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 72.407 51.205 24.706 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 73.436 50.848 23.655 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 74.416 65.332 58.985 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 75.199 65.385 58.437 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 74.147 66.243 59.106 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 68.206 48.834 59.096 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 68.427 49.040 58.188 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 67.779 49.625 59.424 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 61.722 49.069 -1.812 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 61.920 49.504 -0.983 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 61.257 48.271 -1.560 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 78.792 96.610 -17.195 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 79.641 96.494 -17.622 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 78.162 96.633 -17.916 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 64.727 83.463 -19.246 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 64.493 84.085 -18.557 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 65.295 83.961 -19.835 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 27.672 78.378 -14.219 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 28.050 79.101 -14.719 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 27.976 77.590 -14.669 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 65.565 87.080 25.460 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 64.778 87.363 24.993 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 66.265 87.628 25.104 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 48.273 81.992 16.672 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 48.516 81.996 17.598 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 47.498 82.551 16.624 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 53.612 25.632 16.119 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 53.314 26.222 15.425 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 52.833 25.479 16.653 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 78.090 74.528 20.714 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 77.758 74.031 21.462 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 78.617 75.225 21.104 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 73.297 38.806 25.950 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 73.642 38.940 25.068 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 73.283 37.855 26.060 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 86.806 63.757 45.746 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 86.859 63.636 46.694 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 86.889 62.873 45.386 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 77.893 62.684 -7.643 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 78.275 62.408 -6.809 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 76.977 62.869 -7.438 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 69.002 23.597 24.429 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 69.956 23.591 24.352 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 68.828 24.124 25.208 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 59.881 91.237 37.388 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 60.104 90.346 37.658 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 59.071 91.140 36.887 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 69.293 38.795 -10.268 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 69.820 38.584 -9.497 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 69.809 38.475 -11.007 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 23.700 57.244 38.919 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 23.234 57.684 39.629 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 23.050 57.158 38.222 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 88.507 22.726 -7.975 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 89.283 22.238 -7.701 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 87.831 22.474 -7.346 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 44.619 94.684 14.992 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 45.467 95.115 15.094 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 44.819 93.864 14.542 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 37.498 1.738 60.397 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 37.800 2.627 60.582 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 37.936 1.194 61.051 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 33.538 72.495 30.355 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 33.838 73.315 29.964 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 33.944 72.480 31.222 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 30.185 17.977 19.179 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 30.160 18.913 19.376 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 31.021 17.678 19.537 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 70.982 44.434 30.538 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 70.901 44.545 29.591 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 70.091 44.248 30.835 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 72.901 31.545 45.628 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 73.325 30.706 45.809 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 71.979 31.325 45.497 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 67.111 33.852 -3.866 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 66.457 33.165 -3.995 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 67.939 33.381 -3.775 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 73.270 83.522 8.592 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 73.683 82.958 9.245 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 73.090 84.338 9.059 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 85.942 16.308 -14.199 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 86.544 16.255 -14.942 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 86.458 16.711 -13.501 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 75.406 27.674 -16.988 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 75.599 28.611 -17.013 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 75.909 27.307 -17.715 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 25.205 6.667 44.716 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 24.999 5.857 44.249 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 25.804 6.396 45.412 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 81.766 20.294 10.889 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 81.105 19.607 10.811 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 81.402 20.905 11.530 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 66.540 28.902 34.760 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 65.827 29.077 34.145 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 66.671 27.955 34.712 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 34.896 15.749 -1.834 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 35.063 16.679 -1.677 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 34.591 15.415 -0.991 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 48.420 82.747 21.322 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 48.962 82.257 20.704 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 47.953 82.075 21.818 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 57.717 71.027 -18.228 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 58.324 70.326 -18.464 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 57.221 70.678 -17.488 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 34.406 75.369 -10.595 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 35.281 75.749 -10.510 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 34.501 74.473 -10.274 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 62.335 36.269 -0.974 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 63.208 36.265 -0.581 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 61.828 36.869 -0.427 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 33.646 51.492 -3.286 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 33.372 52.068 -2.573 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 32.940 50.851 -3.362 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 50.636 41.619 3.975 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 50.176 42.018 3.236 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 50.738 42.330 4.607 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 24.873 10.540 -4.292 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 25.387 11.309 -4.046 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 24.103 10.896 -4.734 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 77.982 38.358 -13.856 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 78.325 37.479 -13.690 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 78.407 38.909 -13.199 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 28.200 11.906 -8.654 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 27.774 11.134 -9.028 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 27.638 12.157 -7.921 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 49.974 81.711 48.588 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 50.142 82.590 48.249 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 49.492 81.271 47.887 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 52.401 9.730 20.627 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 51.892 9.281 21.302 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 51.748 10.188 20.098 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 69.266 64.204 34.541 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 68.566 64.355 33.906 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 69.774 63.482 34.171 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 53.865 54.959 66.667 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 54.315 54.385 67.286 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 52.996 55.088 67.046 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 34.237 91.439 58.588 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 34.055 90.634 59.073 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 33.462 91.983 58.727 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 51.186 16.010 60.291 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 51.423 16.173 59.378 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 51.737 15.272 60.554 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 72.409 90.835 16.765 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 72.008 91.185 17.560 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 73.311 90.638 17.019 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 85.242 82.993 15.187 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 86.047 83.511 15.195 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 85.444 82.227 15.724 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 46.522 78.255 5.776 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 45.996 77.717 5.185 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 46.505 77.785 6.610 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 73.914 37.505 66.979 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 73.660 37.055 66.174 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 74.295 36.820 67.528 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 77.488 60.772 58.377 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 77.271 61.541 57.850 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 77.391 60.034 57.776 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 34.174 75.208 -18.404 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 34.542 75.460 -17.557 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 33.414 75.780 -18.515 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 28.550 16.218 -3.916 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 29.447 16.005 -4.172 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 28.647 16.820 -3.179 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 48.842 17.689 60.400 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 48.938 17.996 59.498 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 49.570 17.079 60.524 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 71.271 83.453 30.453 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 70.552 82.822 30.494 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 71.914 83.124 31.081 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 21.512 45.397 -7.775 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 21.233 45.634 -6.891 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 22.409 45.723 -7.840 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 28.086 10.019 0.684 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 28.804 10.206 1.288 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 28.450 9.383 0.068 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 55.561 29.438 -1.904 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 55.941 29.977 -1.210 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 55.100 30.060 -2.466 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 39.409 80.982 11.249 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 39.598 81.915 11.348 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 40.248 80.591 11.006 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 22.306 79.405 13.784 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 21.666 79.960 14.230 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 22.853 79.057 14.487 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 69.194 24.718 14.056 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 69.366 24.878 14.984 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 68.966 23.789 14.011 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 28.594 15.110 14.225 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 27.644 15.154 14.123 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 28.736 15.154 15.171 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 82.390 67.996 21.106 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 82.632 67.136 20.760 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 81.462 67.913 21.326 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 45.428 48.886 1.571 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 45.470 49.544 2.265 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 45.815 48.102 1.959 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 32.323 79.580 49.032 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 31.929 79.172 48.261 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 33.174 79.896 48.727 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 33.941 11.798 52.042 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 34.648 11.598 52.655 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 34.347 11.733 51.178 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 64.247 86.022 11.774 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 64.045 85.516 10.987 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 63.651 85.679 12.440 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 84.095 78.590 4.378 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 84.118 79.062 3.545 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 83.173 78.368 4.503 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 20.774 3.349 19.964 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 20.861 3.610 19.047 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 20.526 4.153 20.420 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 58.333 34.094 47.685 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 57.653 33.695 47.143 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 59.138 33.985 47.180 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 79.366 10.718 36.190 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 79.249 10.445 37.100 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 78.861 10.082 35.683 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 45.579 65.857 3.860 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 45.696 64.946 3.593 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 45.828 65.870 4.785 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 43.766 88.044 16.186 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 43.222 87.608 16.842 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 44.637 87.664 16.305 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 37.618 11.953 38.251 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 36.935 12.444 37.794 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 37.631 12.325 39.133 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 32.989 14.563 50.826 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 33.342 13.692 50.645 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 32.340 14.420 51.515 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 27.352 63.892 35.372 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 27.873 63.194 35.769 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 27.396 63.719 34.432 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 23.681 27.732 34.219 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 22.818 27.562 33.840 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 23.508 28.315 34.958 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 77.623 47.027 17.063 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 77.427 47.919 17.349 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 77.775 47.104 16.121 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 74.487 90.218 20.282 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 75.073 89.837 20.935 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 73.622 89.878 20.508 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 52.378 24.161 59.310 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 52.516 24.084 58.366 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 52.095 25.067 59.438 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 39.642 86.786 -10.118 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 39.551 85.985 -9.601 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 39.246 87.468 -9.574 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 50.004 26.816 18.370 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 50.407 27.348 19.056 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 49.080 26.766 18.618 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 87.360 57.911 29.063 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 88.005 58.603 29.211 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 86.514 58.349 29.151 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 52.101 3.370 22.527 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 51.679 3.762 21.762 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 51.490 3.531 23.247 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 78.268 35.392 40.305 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 77.536 34.784 40.411 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 78.139 36.046 40.992 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 24.025 92.055 51.118 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 24.227 92.990 51.074 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 24.742 91.679 51.629 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 52.583 74.480 57.621 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 51.792 75.014 57.550 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 52.649 74.272 58.553 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 76.032 38.841 14.882 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 75.435 39.080 14.172 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 75.785 37.945 15.112 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 52.998 6.414 19.333 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 52.178 6.650 18.899 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 53.484 7.237 19.391 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 78.592 76.955 42.251 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 78.274 77.494 41.527 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 79.374 76.526 41.905 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 34.215 34.897 -10.047 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 34.745 34.528 -9.341 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 33.331 34.571 -9.879 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 20.123 41.461 -15.286 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 21.003 41.255 -15.600 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 20.264 41.885 -14.439 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 26.552 61.201 63.910 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 25.714 61.315 64.358 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 27.104 60.745 64.546 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 83.897 60.678 29.988 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 83.296 61.421 30.044 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 83.361 59.961 29.650 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 21.139 39.402 -11.881 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 20.778 40.253 -12.128 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 21.626 39.115 -12.654 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 43.950 15.860 17.749 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 44.296 16.079 16.884 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 43.889 16.700 18.203 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 37.535 7.122 14.459 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 36.943 7.666 14.978 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 37.567 6.288 14.927 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 53.117 20.411 55.313 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 53.189 21.094 54.645 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 52.976 19.605 54.817 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 46.594 44.426 -4.569 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 45.956 44.844 -5.147 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 47.310 45.058 -4.505 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 67.174 1.145 60.132 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 68.128 1.124 60.057 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 66.899 0.247 59.946 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 81.101 44.208 34.307 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 80.873 45.042 33.896 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 80.452 44.097 35.001 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 72.861 26.232 14.559 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 72.373 25.469 14.249 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 72.337 26.982 14.277 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 46.376 19.465 -12.120 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 46.130 20.372 -11.939 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 45.568 19.055 -12.429 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 66.351 71.063 16.332 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 65.523 70.818 16.746 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 66.916 70.300 16.455 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 31.403 72.567 61.908 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 30.492 72.803 62.079 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 31.477 71.661 62.207 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 58.079 30.798 9.504 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 58.042 31.752 9.572 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 58.484 30.514 10.324 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 55.742 91.292 64.088 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 56.212 90.663 63.542 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 54.836 91.245 63.784 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 88.697 14.306 36.166 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 88.369 15.114 36.560 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 89.282 13.937 36.827 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 38.990 1.402 -13.073 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 39.094 0.847 -12.300 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 38.269 1.991 -12.849 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 36.224 15.142 66.078 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 36.425 14.871 66.974 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 36.870 15.820 65.881 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 77.901 73.011 23.291 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 78.454 72.388 22.819 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 77.051 72.577 23.356 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 86.386 35.838 53.381 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 86.396 35.250 52.625 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 86.773 35.324 54.090 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 71.403 17.792 64.725 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 70.758 17.087 64.654 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 70.895 18.555 64.999 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 80.385 32.687 2.492 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 79.934 32.209 3.188 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 79.738 33.316 2.174 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 80.037 34.666 7.498 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 79.477 34.272 8.168 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 79.659 35.533 7.350 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 40.293 20.066 62.740 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 39.699 19.327 62.611 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 40.590 20.293 61.859 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 51.520 69.088 -7.655 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 51.273 68.974 -6.738 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 52.455 68.887 -7.679 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 83.064 18.951 -11.101 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 83.094 18.154 -10.573 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 82.708 19.616 -10.512 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 21.584 63.980 7.146 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 22.425 64.428 7.064 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 21.767 63.076 6.888 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 22.262 43.965 42.019 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 22.149 44.857 42.346 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 22.584 44.077 41.124 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 83.736 19.789 -16.905 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 83.910 19.101 -16.263 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 82.839 20.069 -16.719 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 69.482 69.179 23.436 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 69.952 68.576 24.011 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 69.103 68.619 22.759 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 39.716 70.579 14.408 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 40.297 69.963 13.962 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 39.697 70.276 15.316 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 84.349 29.994 56.480 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 83.647 30.631 56.348 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 84.072 29.485 57.243 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 64.326 16.890 31.146 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 64.410 17.057 30.207 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 64.330 17.760 31.545 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 79.154 32.991 32.055 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 79.148 33.098 31.104 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 78.925 33.855 32.396 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 41.471 33.953 -3.891 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 41.750 34.748 -3.436 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 42.247 33.393 -3.893 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 35.648 13.559 10.004 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 35.924 14.115 10.733 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 35.146 12.855 10.415 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 56.745 19.594 44.490 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 55.966 19.481 43.945 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 57.431 19.857 43.876 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 56.468 29.413 -10.382 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 55.839 30.132 -10.325 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 56.640 29.171 -9.472 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 23.740 3.711 -14.347 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 22.943 3.318 -13.990 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 23.526 3.899 -15.261 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 50.104 34.877 9.430 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 49.971 33.955 9.211 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 49.600 35.356 8.773 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 68.463 47.486 36.914 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 67.674 47.814 36.483 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 69.164 47.638 36.280 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 88.773 81.432 14.225 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 89.529 80.898 13.981 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 88.275 81.529 13.414 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 29.104 40.868 12.814 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 30.046 41.009 12.718 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 28.781 41.674 13.217 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 30.406 30.728 26.173 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 30.247 30.445 25.272 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 30.863 29.991 26.578 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 23.372 17.760 2.555 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 24.001 17.830 1.836 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 23.850 17.305 3.248 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 86.693 37.642 13.048 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 86.023 38.018 13.619 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 86.206 37.310 12.293 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 36.549 50.694 1.589 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 36.414 50.527 2.522 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 37.294 51.294 1.558 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 21.925 10.223 8.440 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 21.820 11.157 8.260 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 21.354 10.058 9.191 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 66.601 73.178 -16.989 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 67.079 73.633 -16.295 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 67.245 73.062 -17.688 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 21.747 34.056 13.329 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 22.526 34.217 13.861 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 21.025 34.413 13.846 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 52.955 10.679 -4.706 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 53.307 11.297 -5.347 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 52.505 10.017 -5.232 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 77.455 83.439 47.186 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 76.753 82.800 47.062 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 78.210 82.916 47.458 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 33.651 89.786 -12.280 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 34.260 89.147 -11.910 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 33.813 90.588 -11.783 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 20.971 83.929 40.521 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 20.272 83.813 41.165 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 21.395 83.072 40.470 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 36.716 71.447 -6.911 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 37.084 70.903 -6.215 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 36.339 72.198 -6.455 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 38.869 23.011 28.823 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 39.180 23.257 27.952 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 39.155 23.725 29.391 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 23.124 35.030 51.878 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 24.000 35.010 52.263 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 23.273 34.927 50.938 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 87.463 75.433 19.203 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 87.696 76.199 18.678 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 87.314 74.739 18.561 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 25.878 90.566 64.562 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 25.947 90.579 63.607 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 25.269 91.275 64.768 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 38.510 21.495 16.855 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 38.152 20.717 17.282 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 38.662 22.113 17.570 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 70.049 72.198 4.860 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 69.136 72.352 5.106 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 70.556 72.547 5.593 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 64.237 18.468 37.192 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 63.907 18.435 36.295 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 63.974 19.331 37.513 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 49.548 43.563 -5.833 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 48.935 44.172 -5.422 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 49.680 43.913 -6.714 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 66.383 82.340 -10.841 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 66.955 83.065 -11.092 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 66.497 81.692 -11.536 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 35.090 13.661 -12.630 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 34.218 13.377 -12.904 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 35.275 13.147 -11.845 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 83.472 49.167 39.597 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 83.588 49.649 38.778 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 82.722 48.595 39.435 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 50.402 28.148 50.393 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 50.630 29.070 50.277 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 49.604 28.030 49.879 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 24.314 92.977 47.109 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 25.037 93.305 47.643 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 23.602 92.832 47.732 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 38.268 18.537 34.506 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 37.785 18.491 35.331 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 37.601 18.733 33.848 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 21.945 66.267 33.348 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 21.257 65.636 33.558 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 21.857 66.413 32.406 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 51.521 13.166 8.946 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 51.021 13.499 9.691 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 50.938 12.532 8.529 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 43.625 2.308 58.529 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 42.838 1.908 58.900 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 44.345 1.770 58.856 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 71.040 79.313 60.190 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 71.038 78.389 60.440 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 71.966 79.534 60.096 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 29.517 70.198 -5.567 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 30.014 69.405 -5.763 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 30.113 70.731 -5.040 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 47.838 11.707 45.120 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 48.611 11.301 44.728 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 47.157 11.621 44.453 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 22.051 27.457 31.784 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 21.584 27.547 30.953 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 22.878 27.036 31.549 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 36.629 16.749 14.940 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 37.475 16.486 15.301 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 36.849 17.344 14.222 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 86.002 90.930 33.325 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 86.639 91.001 32.614 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 85.878 89.989 33.444 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 66.053 23.646 18.499 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 65.146 23.754 18.213 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 66.210 24.388 19.082 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 66.785 35.420 50.324 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 65.924 35.793 50.138 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 67.274 35.525 49.507 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 78.556 27.550 41.043 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 78.365 27.752 40.127 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 78.316 28.346 41.519 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 53.022 79.988 26.019 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 53.297 79.257 25.466 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 52.164 79.726 26.353 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 84.648 20.860 -7.674 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 84.199 20.437 -8.406 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 85.402 20.296 -7.497 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 23.135 55.712 4.058 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 23.706 55.560 4.811 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 22.932 54.835 3.730 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 23.600 27.551 8.506 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 23.513 28.436 8.151 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 23.344 27.635 9.424 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 78.738 65.844 -2.218 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 79.415 65.350 -2.681 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 78.002 65.236 -2.152 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 59.102 0.709 11.452 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 59.915 0.346 11.101 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 58.841 0.095 12.138 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 57.485 78.345 30.597 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 56.862 77.662 30.843 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 57.197 79.119 31.081 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 39.105 71.680 11.113 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 39.957 72.042 11.357 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 39.285 70.764 10.900 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 50.249 43.131 6.063 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 50.222 42.527 6.805 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 50.821 43.842 6.352 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 23.078 20.126 65.997 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 23.940 20.065 66.408 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 22.964 21.060 65.817 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 27.643 3.229 26.006 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 28.181 2.982 25.254 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 27.405 2.397 26.415 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 52.789 27.487 48.676 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 52.490 27.999 47.925 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 52.004 27.362 49.210 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 58.224 27.674 34.267 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 57.611 28.247 34.727 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 58.374 28.107 33.427 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 70.672 91.627 53.191 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 70.541 90.681 53.243 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 69.788 91.993 53.204 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 21.703 43.040 -5.773 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 21.150 43.185 -5.005 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 21.858 43.917 -6.125 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 45.863 26.716 -5.118 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 45.588 25.818 -4.930 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 45.044 27.199 -5.228 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 54.047 78.910 -19.513 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 54.985 78.722 -19.546 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 53.866 79.061 -18.585 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 68.369 66.919 39.923 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 67.948 67.008 40.777 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 67.643 66.821 39.306 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 38.223 94.384 13.384 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 38.503 94.737 12.540 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 38.575 94.997 14.029 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 20.509 38.541 34.157 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 21.095 38.542 33.400 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 19.819 39.164 33.927 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 32.015 46.934 45.134 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 31.937 46.022 45.412 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 32.840 47.233 45.518 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 58.862 30.750 47.937 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 58.880 31.577 47.456 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 59.517 30.859 48.627 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 56.507 37.384 57.492 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 56.021 37.979 56.922 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 57.081 37.955 58.003 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 86.018 27.832 7.075 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 85.623 28.685 7.256 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 86.949 28.020 6.956 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 51.749 30.144 53.118 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 52.431 30.674 52.706 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 51.127 29.964 52.413 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 63.630 50.426 64.825 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 63.202 49.822 64.219 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 63.142 50.331 65.643 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 43.523 17.432 -9.748 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 44.293 17.426 -10.317 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 42.790 17.609 -10.338 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 89.773 37.102 -15.053 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 90.569 36.851 -14.585 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 89.526 36.319 -15.545 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 80.686 2.812 36.935 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 81.269 3.341 37.480 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 81.222 2.066 36.666 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 77.195 28.611 8.805 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 76.310 28.528 8.449 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 77.455 27.714 9.013 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 82.083 58.419 15.272 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 82.261 59.133 15.885 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 82.948 58.123 14.991 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 68.518 32.095 -1.732 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 68.842 31.194 -1.715 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 68.240 32.267 -0.832 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 47.869 50.475 -8.028 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 47.884 51.379 -8.341 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 48.790 50.252 -7.893 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 74.407 56.967 24.369 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 73.569 57.418 24.474 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 74.327 56.504 23.535 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 44.245 39.442 22.460 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 44.515 39.800 21.614 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 45.066 39.208 22.894 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 31.336 7.950 37.872 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 31.686 8.787 37.566 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 31.855 7.290 37.410 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 56.822 88.094 12.874 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 56.804 87.913 13.814 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 57.253 88.946 12.802 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 28.715 11.471 10.185 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 28.826 12.251 10.729 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 28.564 11.813 9.304 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 34.879 84.123 29.694 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 34.855 83.728 30.565 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 34.960 85.062 29.859 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 29.483 35.400 24.110 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 29.912 34.739 23.567 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 29.160 36.050 23.487 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 80.277 17.425 62.424 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 80.928 18.091 62.643 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 80.783 16.619 62.322 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 35.151 25.036 -17.399 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 34.372 25.317 -17.878 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 35.884 25.385 -17.906 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 33.011 48.747 -1.513 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 33.746 48.922 -0.925 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 32.597 47.962 -1.152 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 22.874 51.841 57.008 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 23.106 51.819 56.080 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 21.944 52.064 57.018 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 82.714 70.090 28.779 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 83.143 69.342 29.196 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 81.822 69.790 28.607 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 26.875 74.348 14.029 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 27.166 73.553 13.582 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 26.160 74.057 14.595 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 39.722 53.031 10.827 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 40.623 53.064 11.148 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 39.287 52.395 11.395 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 65.254 21.136 65.359 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 65.901 20.815 64.732 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 65.666 21.904 65.756 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 54.830 22.182 33.452 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 53.961 22.423 33.130 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 55.024 21.350 33.020 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 44.905 3.206 -1.743 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 44.966 3.971 -1.170 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 44.391 2.572 -1.244 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 76.062 50.762 54.653 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 75.304 51.346 54.658 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 76.309 50.698 53.730 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 52.193 50.866 60.586 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 52.235 51.694 61.065 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 51.295 50.824 60.258 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 65.600 22.980 54.914 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 65.238 23.760 55.336 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 65.300 23.037 54.007 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 22.808 78.125 40.825 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 22.654 77.966 39.894 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 22.925 77.253 41.201 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 79.183 55.110 29.351 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 79.621 54.391 28.895 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 79.524 55.901 28.933 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 71.670 73.871 26.134 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 71.365 73.105 26.619 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 71.649 74.584 26.772 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 75.173 27.989 5.995 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 74.991 27.809 6.917 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 74.737 28.824 5.823 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 87.853 82.134 63.773 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 88.179 82.390 64.636 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 88.569 81.629 63.386 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 72.276 90.895 39.066 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 72.775 90.677 39.853 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 71.378 91.015 39.377 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 86.802 28.327 45.157 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 86.434 28.305 44.274 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 87.714 28.058 45.043 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 38.702 7.838 -8.871 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 39.182 8.541 -9.309 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 39.254 7.598 -8.126 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 82.711 47.658 2.991 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 82.158 46.952 3.328 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 82.221 48.458 3.181 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 78.800 41.488 20.370 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 79.321 41.925 19.695 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 78.061 42.077 20.521 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 69.481 20.629 14.796 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 69.590 19.715 15.060 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 68.533 20.767 14.796 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 55.335 73.011 39.754 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 55.030 73.823 39.350 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 54.817 72.932 40.556 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 46.903 86.709 5.859 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 47.667 87.157 6.222 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 46.726 85.999 6.476 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 23.341 45.629 0.976 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 22.486 45.956 0.695 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 23.790 45.400 0.162 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 86.024 10.203 -2.032 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 85.512 9.600 -2.570 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 85.898 11.058 -2.443 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 84.991 75.082 51.633 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 84.496 75.527 52.321 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 84.341 74.883 50.959 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 40.901 18.597 13.981 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 41.161 18.698 14.897 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 41.653 18.178 13.562 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 26.758 37.533 2.344 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 27.480 37.174 2.860 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 27.175 38.150 1.743 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 26.416 43.655 20.834 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 26.470 44.419 21.408 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 25.983 43.977 20.044 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 62.001 19.334 -9.768 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 61.538 20.156 -9.606 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 62.866 19.465 -9.380 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 80.052 42.653 58.406 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 80.841 43.187 58.313 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 79.341 43.288 58.487 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 67.552 92.793 -2.098 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 67.239 91.984 -2.504 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 66.755 93.244 -1.818 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 58.102 60.238 46.168 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 58.304 60.531 45.279 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 57.679 59.388 46.049 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 51.696 11.948 52.348 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 51.415 12.800 52.681 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 51.032 11.336 52.665 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 57.590 54.596 -18.145 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 57.330 54.122 -17.356 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 56.791 54.648 -18.669 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 25.749 92.508 13.997 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 25.160 91.758 14.071 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 25.963 92.736 14.902 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 73.367 36.304 64.361 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 72.459 36.001 64.342 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 73.407 36.983 63.688 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 24.209 71.190 3.299 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 24.124 70.432 3.876 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 24.994 71.641 3.610 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 75.493 37.202 -13.936 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 75.513 36.962 -13.009 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 76.242 37.787 -14.049 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 64.302 58.158 34.156 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 63.729 58.339 33.410 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 64.222 57.214 34.296 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 41.332 44.015 20.522 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 41.735 43.266 20.962 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 40.967 44.543 21.233 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 53.691 22.545 9.481 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 54.434 22.293 10.029 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 53.022 22.834 10.102 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 49.845 17.060 20.043 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 48.978 16.995 19.643 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 49.811 17.865 20.561 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 45.264 40.540 31.581 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 45.196 39.958 30.824 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 45.612 41.358 31.225 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 44.442 20.629 -16.806 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 44.359 21.577 -16.703 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 44.006 20.265 -16.035 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 82.029 77.034 -5.860 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 82.650 76.630 -5.253 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 81.746 77.834 -5.416 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 64.528 62.587 -2.576 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 64.919 62.954 -1.782 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 64.945 61.732 -2.675 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 44.904 92.420 1.880 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 44.145 92.800 1.436 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 44.638 92.355 2.797 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 64.001 22.783 -5.794 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 63.764 23.252 -4.994 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 64.950 22.889 -5.861 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 85.601 27.932 0.080 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 85.612 28.767 0.547 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 86.433 27.911 -0.393 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 71.964 38.443 53.816 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 71.427 38.025 53.143 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 71.529 39.279 53.986 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 61.680 17.221 19.233 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 62.136 16.684 19.881 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 62.378 17.698 18.784 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 55.051 49.889 46.041 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 55.723 49.353 46.462 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 55.422 50.772 46.027 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 65.483 44.333 37.663 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 66.053 45.087 37.512 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 65.055 44.183 36.819 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 72.004 5.178 60.667 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 72.033 5.278 59.716 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 71.715 4.276 60.805 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 50.592 44.411 41.211 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 50.359 44.296 42.132 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 49.831 44.086 40.729 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 55.801 28.906 32.426 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 56.156 29.172 33.274 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 55.529 27.997 32.554 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 73.846 86.643 52.315 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 74.647 86.798 52.816 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 74.093 85.985 51.665 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 31.499 90.041 20.269 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 30.696 90.502 20.024 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 31.411 89.890 21.210 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 62.394 14.285 15.608 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 61.987 15.150 15.558 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 61.681 13.699 15.863 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 66.286 34.521 -12.513 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 66.062 35.172 -13.179 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 66.506 35.037 -11.738 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 73.878 34.503 3.319 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 73.663 33.587 3.145 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 74.253 34.499 4.200 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 41.700 34.842 11.886 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 41.167 35.404 12.449 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 42.595 34.965 12.201 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 87.406 94.613 -0.833 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 86.503 94.433 -1.095 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 87.408 95.541 -0.600 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 36.395 64.574 21.450 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 37.072 65.248 21.398 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 36.862 63.784 21.722 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 34.783 80.619 58.133 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 35.042 80.033 57.422 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 33.837 80.495 58.214 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 49.352 24.204 39.051 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 48.580 23.942 38.550 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 50.041 23.607 38.761 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 54.141 87.472 60.496 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 54.738 87.143 59.825 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 53.318 87.626 60.031 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 82.226 28.752 66.405 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 82.217 28.955 65.470 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 81.598 29.364 66.790 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 27.273 45.846 -10.608 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 27.524 45.106 -10.055 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 26.664 46.351 -10.070 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 84.111 50.077 -12.691 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 83.738 49.596 -13.430 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 84.022 49.481 -11.947 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 35.784 47.106 -6.724 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 35.453 46.453 -7.341 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 36.359 47.663 -7.249 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 89.809 36.969 43.498 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 89.939 36.677 44.400 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 89.925 37.919 43.534 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 70.440 34.483 24.262 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 70.821 34.950 23.519 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 70.335 35.152 24.938 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 83.612 55.948 19.182 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 84.008 56.722 19.583 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 84.233 55.242 19.359 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 76.959 72.657 34.445 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 76.076 72.741 34.086 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 76.911 73.079 35.303 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 28.711 26.193 40.377 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 29.220 26.991 40.519 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 27.861 26.503 40.065 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 69.169 40.599 10.928 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 68.771 39.760 11.157 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 68.924 41.186 11.643 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 55.911 56.204 14.365 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 55.836 56.949 14.960 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 55.637 55.450 14.888 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 64.499 71.309 23.197 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 64.438 70.387 23.448 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 63.844 71.748 23.739 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 25.649 92.381 6.237 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 26.447 92.754 5.861 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 25.901 91.498 6.506 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 81.146 50.283 -7.442 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 81.980 50.746 -7.518 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 80.483 50.966 -7.542 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 69.976 30.369 63.098 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 70.510 31.149 62.950 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 69.104 30.613 62.790 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 75.103 8.679 -17.189 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 74.394 8.968 -16.615 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 75.685 9.436 -17.253 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 57.834 77.590 55.108 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 57.000 77.354 54.702 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 57.893 78.539 55.000 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 89.006 24.810 61.599 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 88.071 25.015 61.621 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 89.091 24.159 60.902 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 45.252 63.305 12.480 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 46.056 63.562 12.932 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 45.174 63.926 11.756 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 89.482 62.471 -6.885 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 90.242 62.336 -7.452 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 88.932 63.091 -7.363 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 51.867 53.757 2.002 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 52.156 54.529 2.488 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 51.289 53.294 2.609 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 49.700 64.506 18.022 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 48.943 64.858 17.554 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 50.456 64.829 17.532 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 88.571 50.655 27.120 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 88.549 51.055 26.250 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 88.448 49.720 26.957 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 40.074 30.264 27.599 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 39.720 30.437 26.726 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 39.332 30.392 28.189 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 48.569 54.780 39.876 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 48.335 55.466 39.250 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 47.971 54.913 40.611 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 68.899 90.433 22.565 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 69.031 90.515 21.620 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 69.695 90.007 22.882 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 39.207 56.021 -2.841 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 39.489 56.795 -3.328 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 40.003 55.497 -2.743 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 82.720 19.072 63.299 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 83.510 19.612 63.328 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 82.985 18.238 63.686 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 80.221 58.040 58.027 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 79.890 58.933 58.119 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 81.116 58.147 57.706 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 56.060 49.449 62.029 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 56.228 50.291 61.605 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 56.303 48.796 61.373 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 31.847 40.262 11.167 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 31.640 39.532 10.584 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 32.756 40.111 11.426 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 75.044 2.161 64.629 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 74.924 3.107 64.541 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 75.227 2.028 65.559 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 27.591 87.040 -7.162 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 27.187 87.633 -7.796 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 27.280 86.171 -7.416 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 77.598 59.109 8.627 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 78.180 58.742 9.291 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 76.920 58.444 8.506 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 26.744 30.670 0.632 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 26.523 31.221 1.382 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 27.360 30.025 0.981 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 41.272 3.472 4.342 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 40.432 3.802 4.662 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 41.621 4.184 3.806 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 22.691 38.200 -6.081 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 23.229 37.812 -5.391 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 21.895 38.485 -5.633 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 45.145 83.169 22.403 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 45.615 83.484 23.175 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 45.294 82.223 22.401 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 68.840 44.099 -20.184 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 68.255 43.535 -19.680 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 68.769 44.956 -19.763 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 64.138 35.467 -9.252 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 64.724 34.720 -9.376 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 64.644 36.221 -9.555 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 83.335 40.336 19.944 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 83.185 39.404 20.100 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 83.295 40.735 20.813 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 44.134 43.333 46.911 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 45.069 43.370 46.710 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 43.761 42.792 46.215 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 79.995 60.787 45.363 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 80.277 61.281 46.134 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 80.257 61.331 44.621 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 38.362 65.284 -11.759 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 37.721 64.700 -11.355 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 39.149 65.184 -11.223 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 75.870 20.163 10.492 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 75.907 20.401 11.419 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 76.250 20.914 10.037 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 51.233 48.288 -1.667 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 50.601 49.005 -1.632 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 50.805 47.568 -1.203 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 56.499 93.086 32.782 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 56.521 92.668 33.643 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 56.592 92.363 32.162 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 79.380 7.631 40.685 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 79.569 8.056 39.848 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 79.685 8.254 41.345 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 65.810 27.439 -17.761 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 65.449 28.317 -17.883 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 65.984 27.380 -16.822 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 55.478 69.567 10.081 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 56.014 70.161 10.607 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 55.598 68.710 10.490 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 72.588 24.078 19.775 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 72.968 24.836 19.331 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 72.183 23.567 19.074 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 55.216 64.928 -16.929 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 55.440 64.664 -17.822 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 55.261 64.118 -16.421 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 70.909 51.312 20.618 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 70.670 51.280 19.692 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 70.102 51.563 21.066 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 34.871 82.806 -8.327 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 34.292 83.557 -8.198 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 34.967 82.423 -7.455 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 53.583 90.678 35.666 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 53.396 90.821 36.594 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 52.830 91.052 35.209 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 89.619 30.477 11.277 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 90.554 30.627 11.133 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 89.187 30.975 10.583 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 76.893 56.641 -1.483 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 77.579 55.973 -1.462 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 76.563 56.674 -0.585 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 70.463 48.710 3.660 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 70.746 49.429 4.226 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 69.770 48.273 4.156 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 74.818 25.886 35.204 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 74.534 26.676 34.744 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 74.053 25.311 35.188 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 70.706 56.475 36.601 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 70.147 56.024 35.968 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 70.143 57.149 36.981 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 82.247 72.348 23.985 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 82.578 71.455 23.893 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 81.954 72.403 24.895 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 60.335 21.684 47.324 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 60.286 21.350 46.429 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 59.816 22.489 47.309 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 51.125 22.035 -0.180 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 51.749 21.955 0.541 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 50.549 22.754 0.080 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 34.452 28.380 38.555 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 34.801 28.066 39.388 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 33.656 28.856 38.792 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 76.981 42.700 44.243 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 76.454 42.314 43.544 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 76.992 43.637 44.047 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 40.502 81.433 4.300 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 40.915 81.395 3.437 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 39.564 81.476 4.115 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 68.103 23.318 38.592 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 68.942 22.927 38.347 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 68.316 23.909 39.314 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 42.427 60.885 55.943 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 43.195 60.672 55.413 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 41.732 60.326 55.597 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 21.958 42.760 9.617 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 22.219 42.989 8.725 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 22.451 43.365 10.173 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 51.443 87.500 50.909 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 50.904 87.693 50.142 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 50.813 87.359 51.616 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 42.260 65.312 -16.884 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 42.745 65.611 -17.653 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 42.081 64.388 -17.058 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 86.892 41.913 6.171 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 86.529 42.545 5.551 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 87.172 41.177 5.626 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 23.189 6.976 37.615 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 23.504 6.781 36.733 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 22.895 6.132 37.957 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 78.593 24.746 56.445 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 78.550 24.456 55.533 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 77.902 25.404 56.521 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 53.053 41.021 2.115 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 52.775 40.775 2.997 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 52.711 41.907 1.993 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 86.807 7.915 5.264 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 86.226 7.371 4.733 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 87.393 8.330 4.631 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 82.519 65.690 -1.898 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 83.383 65.305 -2.046 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 81.974 65.334 -2.600 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 52.231 33.816 11.792 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 51.554 33.139 11.803 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 52.173 34.227 12.654 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 83.244 52.411 -7.660 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 83.929 52.664 -7.041 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 83.656 51.753 -8.219 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 40.269 33.977 49.723 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 39.322 33.849 49.675 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 40.389 34.923 49.636 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 29.710 20.782 20.741 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 29.396 21.674 20.596 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 29.227 20.479 21.510 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 74.858 56.755 51.748 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 73.915 56.812 51.898 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 74.939 56.415 50.857 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 42.015 29.788 -0.704 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 41.244 30.291 -0.967 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 42.047 29.879 0.248 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 36.607 95.665 65.381 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 37.375 96.236 65.363 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 36.481 95.461 66.308 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 35.098 65.517 45.536 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 35.464 64.726 45.141 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 34.853 66.066 44.790 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 86.566 60.950 11.546 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 87.331 61.525 11.552 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 85.818 61.544 11.620 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 25.637 40.592 -13.204 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 26.077 41.326 -12.775 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 25.698 39.874 -12.575 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 71.813 1.795 28.235 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 71.672 2.405 28.959 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 72.708 1.479 28.358 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 70.430 80.653 -9.988 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 70.371 81.523 -10.384 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 70.728 80.817 -9.093 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 28.844 61.886 30.276 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 28.813 60.931 30.342 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 28.703 62.066 29.346 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 40.563 86.058 7.687 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 39.832 85.443 7.749 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 41.102 85.719 6.973 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 28.827 26.218 56.252 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 29.702 26.607 56.272 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 28.838 25.643 55.488 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 46.134 48.343 9.479 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 46.782 48.772 8.919 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 46.371 48.608 10.367 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 63.139 31.465 -2.932 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 62.914 30.536 -2.982 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 63.938 31.491 -2.407 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 60.376 92.915 20.375 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 59.529 92.563 20.649 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 61.014 92.464 20.928 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 49.537 30.471 3.276 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 48.668 30.072 3.233 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 50.057 29.859 3.796 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 55.490 42.179 -0.974 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 55.188 42.772 -0.286 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 56.428 42.358 -1.051 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 62.337 0.054 29.155 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 61.547 -0.319 28.764 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 62.041 0.863 29.571 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 59.684 42.276 -5.869 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 59.417 43.079 -5.422 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 60.503 42.507 -6.308 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 53.483 40.848 36.555 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 52.959 40.658 35.776 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 53.976 41.635 36.326 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 33.217 17.258 62.710 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 32.622 17.701 63.316 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 32.746 17.247 61.877 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 80.152 89.454 -13.047 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 80.720 89.623 -13.799 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 80.098 88.500 -12.997 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 72.733 71.776 40.307 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 72.319 72.436 40.863 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 72.796 70.999 40.863 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 60.622 63.496 26.461 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 59.928 64.024 26.856 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 60.189 62.681 26.206 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 57.711 85.808 35.797 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 56.829 86.015 35.487 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 58.031 85.147 35.184 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 67.822 32.149 58.431 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 67.725 33.101 58.455 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 67.448 31.849 59.259 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 41.676 36.583 -16.972 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 41.693 36.953 -16.090 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 42.399 35.955 -16.982 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 55.826 4.037 53.698 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 55.282 3.441 53.183 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 56.470 3.468 54.122 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 30.228 80.710 64.510 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 29.754 80.412 63.734 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 31.015 80.165 64.535 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 59.686 85.388 -10.722 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 59.312 85.898 -10.003 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 59.801 84.510 -10.358 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 36.223 87.993 19.279 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 35.729 87.226 18.991 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 36.892 88.115 18.605 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 51.634 49.579 49.012 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 51.958 50.091 49.752 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 52.087 49.943 48.251 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 31.265 56.900 58.427 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 30.582 57.497 58.733 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 31.759 57.409 57.784 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 67.241 60.496 17.363 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 67.474 60.472 18.292 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 66.383 60.075 17.320 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 84.437 48.394 9.084 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 83.669 48.417 9.656 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 84.611 49.312 8.879 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 56.069 3.042 37.606 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 55.924 2.191 37.191 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 56.688 2.861 38.314 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 74.053 72.361 -14.111 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 73.924 71.857 -13.308 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 74.686 71.850 -14.616 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 35.020 54.290 20.353 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 35.631 54.168 21.079 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 35.271 55.128 19.966 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 79.354 24.435 9.768 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 78.573 23.998 10.107 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 79.817 23.755 9.278 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 64.892 16.906 28.545 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 64.275 17.189 27.870 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 65.755 17.052 28.159 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 45.575 4.413 65.175 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 46.233 5.068 65.409 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 45.722 3.695 65.791 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 55.068 69.706 28.925 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 54.139 69.875 28.766 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 55.157 68.757 28.845 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 49.996 51.261 -2.422 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 50.456 51.653 -1.679 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 49.496 50.539 -2.041 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 25.214 50.498 24.317 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 25.376 49.569 24.149 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 25.499 50.940 23.517 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 38.728 83.689 -2.754 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 39.646 83.960 -2.755 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 38.306 84.271 -2.123 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 84.134 33.710 67.008 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 83.786 33.623 66.121 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 84.766 34.427 66.949 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 66.238 64.729 2.435 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 67.127 64.722 2.790 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 65.940 65.631 2.554 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 40.610 74.973 20.213 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 40.874 74.654 21.076 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 41.139 74.466 19.597 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 38.629 91.125 24.849 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 37.689 91.008 24.709 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 38.754 92.074 24.852 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 57.466 27.914 62.257 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 57.507 27.500 63.119 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 56.543 27.857 62.007 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 38.193 36.719 61.668 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 37.296 36.623 61.349 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 38.693 36.994 60.900 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 39.977 33.392 33.849 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 40.821 33.842 33.808 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 39.902 33.104 34.759 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 81.902 95.147 28.940 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 82.617 94.875 29.515 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 81.116 95.066 29.480 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 80.130 0.631 61.028 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 80.050 1.126 61.843 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 79.249 0.638 60.655 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 55.867 47.160 60.047 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 55.339 47.239 59.253 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 55.227 47.077 60.754 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 89.191 7.046 -12.506 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 89.978 7.580 -12.396 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 88.911 7.215 -13.406 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 38.930 68.217 59.291 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 38.266 68.835 59.598 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 38.486 67.369 59.292 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 51.688 35.992 65.731 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 52.063 36.220 64.880 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 51.976 36.692 66.316 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 55.103 57.775 9.474 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 55.807 57.517 8.879 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 55.536 57.901 10.318 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 28.295 67.145 39.333 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 29.196 66.830 39.263 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 28.175 67.702 38.564 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 34.728 64.145 6.032 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 34.631 63.279 6.429 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 35.594 64.442 6.314 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 31.888 61.260 39.423 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 31.941 62.194 39.221 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 32.584 60.861 38.901 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 29.295 33.005 49.192 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 29.046 32.134 48.883 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 28.466 33.474 49.283 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 55.292 8.426 30.646 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 54.509 8.976 30.601 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 55.669 8.474 29.767 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 81.590 56.856 24.973 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 80.803 57.370 25.152 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 81.427 56.457 24.118 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 79.615 50.294 61.924 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 79.810 49.866 61.091 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 80.277 50.981 62.002 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 54.427 84.990 -2.285 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 54.346 85.217 -3.211 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 54.278 84.045 -2.255 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 75.890 47.759 55.978 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 76.213 48.587 55.622 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 74.937 47.827 55.916 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 35.481 4.377 28.554 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 35.818 4.403 27.658 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 35.272 5.288 28.759 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 61.431 75.007 33.127 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 61.569 74.087 32.901 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 60.806 75.322 32.474 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 79.932 36.963 10.939 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 79.090 36.997 11.393 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 80.026 37.829 10.542 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 50.576 8.647 -9.236 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 51.345 8.310 -9.694 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 50.333 9.434 -9.723 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 51.538 29.841 -1.356 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 51.266 29.971 -0.447 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 51.138 30.569 -1.832 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 42.728 11.089 19.760 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 43.499 11.645 19.875 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 42.746 10.843 18.835 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 85.903 36.422 2.730 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 85.576 36.744 1.890 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 86.728 36.888 2.861 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 73.195 88.529 26.182 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 73.983 89.028 25.969 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 73.439 87.617 26.026 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 70.154 73.008 7.508 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 70.347 73.935 7.650 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 69.243 72.908 7.784 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 71.861 96.282 57.725 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 72.115 97.199 57.620 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 71.800 95.946 56.831 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 30.548 93.945 -19.045 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 30.351 93.687 -19.945 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 29.692 94.032 -18.627 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 38.553 40.788 -2.356 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 39.060 40.546 -3.131 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 38.082 41.580 -2.616 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 66.368 85.152 -6.747 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 66.205 84.246 -7.010 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 67.221 85.126 -6.313 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 53.312 31.316 20.667 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 53.719 31.837 19.975 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 52.407 31.627 20.701 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 41.028 82.897 57.716 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 41.113 83.241 58.605 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 41.928 82.831 57.397 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 48.535 85.775 63.951 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 49.395 85.523 64.285 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 48.494 86.722 64.080 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 22.940 75.497 60.561 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 22.164 74.937 60.585 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 22.663 76.270 60.070 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 66.973 71.032 21.649 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 66.135 71.121 22.103 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 67.274 70.151 21.871 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 66.073 61.301 -15.384 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 66.942 61.619 -15.632 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 65.499 62.058 -15.500 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 39.084 62.943 15.579 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 39.655 63.586 15.999 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 38.824 62.354 16.287 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 52.023 92.623 -6.081 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 51.864 92.812 -5.156 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 52.627 93.309 -6.366 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 28.830 1.388 17.112 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 27.950 1.373 17.487 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 28.845 0.649 16.504 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 50.231 42.808 57.995 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 49.354 42.635 57.653 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 50.385 43.733 57.805 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 76.037 23.389 -19.286 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 75.468 22.775 -19.749 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 75.440 23.916 -18.755 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 36.182 6.477 -14.431 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 35.874 6.326 -15.324 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 36.776 5.747 -14.256 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 44.186 24.320 64.960 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 44.878 24.903 65.272 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 43.571 24.897 64.508 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 29.992 32.950 -5.341 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 29.807 33.743 -4.838 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 29.863 33.208 -6.253 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 73.038 65.677 -9.096 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 72.756 65.707 -8.182 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 72.793 64.801 -9.394 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 48.964 14.727 7.838 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 49.379 14.618 6.982 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 49.675 15.006 8.415 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 77.066 80.369 5.468 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 76.689 80.646 6.303 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 77.341 81.183 5.047 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 83.393 10.540 62.403 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 82.681 10.283 61.816 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 84.073 9.883 62.256 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 31.549 3.872 48.860 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 31.958 3.263 48.246 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 30.619 3.650 48.837 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 29.468 91.608 50.745 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 29.800 92.051 49.965 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 30.247 91.240 51.163 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 58.821 59.016 36.942 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 58.366 59.734 36.501 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 58.404 58.224 36.603 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 61.380 31.240 62.141 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 60.496 31.001 62.420 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 61.409 32.193 62.228 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 85.402 78.436 62.708 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 84.780 78.926 63.247 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 85.905 79.110 62.251 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 88.537 58.334 6.632 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 89.183 58.969 6.940 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 89.051 57.674 6.167 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 37.947 91.816 63.527 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 37.080 92.213 63.617 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 38.321 92.230 62.749 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 27.148 68.408 56.435 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 26.845 68.112 55.576 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 26.934 69.341 56.457 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 68.410 2.674 11.376 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 69.125 2.052 11.511 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 68.805 3.531 11.534 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 38.095 35.768 25.612 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 37.976 34.939 26.076 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 39.034 35.809 25.431 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 26.599 45.194 6.660 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 27.236 44.605 7.065 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 25.789 45.045 7.149 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 20.324 2.464 -9.033 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 21.051 2.097 -8.530 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 20.280 1.923 -9.821 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 60.176 38.708 0.135 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 59.389 38.732 0.679 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 60.416 39.628 0.021 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 38.368 25.639 0.939 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 38.280 25.846 1.870 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 39.128 25.059 0.893 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 37.226 45.411 59.771 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 38.026 45.132 60.215 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 37.310 45.060 58.884 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 39.080 68.237 18.930 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 39.990 67.943 18.896 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 39.074 69.055 18.432 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 79.946 80.755 57.469 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 80.035 80.547 58.400 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 79.214 81.371 57.430 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 57.002 30.120 30.013 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 56.421 29.367 30.119 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 56.820 30.673 30.772 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 70.829 23.336 48.549 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 70.222 23.208 49.278 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 71.479 23.954 48.884 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 90.436 28.018 -3.097 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 90.767 27.978 -3.994 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 90.216 28.940 -2.964 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 23.666 77.137 18.441 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 23.913 77.129 19.366 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 24.083 76.356 18.075 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 34.153 51.373 17.182 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 34.732 52.130 17.266 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 33.419 51.689 16.656 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 44.935 24.382 38.090 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 44.491 25.162 37.759 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 44.265 23.698 38.069 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 51.216 70.601 -16.959 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 50.919 69.836 -16.465 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 50.894 71.350 -16.457 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 70.745 94.478 41.069 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 69.905 94.798 40.741 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 71.025 95.142 41.699 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 57.504 15.060 52.746 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 58.097 14.504 53.251 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 57.914 15.924 52.761 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 38.277 76.533 28.395 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 37.971 76.870 29.237 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 38.927 75.869 28.625 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 52.869 61.367 59.625 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 52.534 61.210 58.743 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 52.581 60.607 60.131 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 80.044 73.782 66.482 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 79.427 74.062 65.806 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 79.604 73.056 66.923 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 68.135 56.707 56.915 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 67.963 57.274 57.667 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 67.273 56.560 56.524 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 63.739 86.118 -6.077 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 64.548 85.622 -6.203 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 63.897 86.952 -6.521 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 34.053 69.826 18.124 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 34.983 70.003 18.266 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 33.869 69.061 18.669 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 79.284 45.938 -8.670 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 79.829 46.540 -9.176 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 79.214 46.345 -7.806 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 37.398 4.661 4.832 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 36.708 4.846 5.469 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 38.208 4.689 5.340 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 44.958 38.645 29.542 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 45.851 38.554 29.211 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 44.470 37.942 29.113 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 47.942 47.948 -14.497 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 47.487 47.254 -14.020 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 47.732 48.748 -14.015 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 68.150 56.094 48.464 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 68.043 56.380 49.371 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 68.133 55.138 48.511 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 41.251 10.293 40.733 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 42.161 10.313 40.438 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 40.866 11.095 40.381 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 53.917 2.433 47.005 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 53.182 2.756 47.524 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 54.693 2.787 47.440 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 54.422 6.439 3.268 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 53.645 6.112 3.721 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 55.054 6.609 3.967 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 58.876 19.994 12.669 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 58.059 20.264 12.249 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 58.646 19.201 13.153 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 70.354 70.716 66.891 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 69.659 70.196 66.487 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 70.722 70.142 67.563 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 24.974 15.002 37.818 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 25.810 15.359 37.517 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 24.337 15.305 37.170 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 66.264 83.150 23.868 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 66.705 82.790 24.637 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 66.660 82.692 23.127 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 50.579 84.079 -12.584 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 51.027 84.917 -12.473 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 49.655 84.279 -12.434 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 49.987 91.665 58.239 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 49.066 91.693 57.982 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 50.238 90.748 58.134 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 31.567 1.032 28.008 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 31.948 0.682 28.813 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 31.446 1.965 28.186 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 69.710 65.675 27.585 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 68.852 65.282 27.743 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 70.274 64.937 27.356 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 50.744 22.713 52.813 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 50.604 22.662 53.758 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 49.875 22.883 52.450 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 84.857 42.544 10.744 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 85.779 42.543 10.489 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 84.861 42.256 11.657 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 27.620 30.446 -15.068 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 27.822 30.983 -15.834 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 28.297 29.769 -15.064 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 34.814 20.005 21.916 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 34.973 20.809 22.410 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 35.614 19.491 22.031 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 86.448 30.460 42.101 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 85.584 30.437 42.512 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 86.267 30.582 41.169 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 37.917 31.373 10.577 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 38.100 32.061 11.217 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 37.428 30.713 11.067 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 34.062 51.035 12.870 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 34.565 50.281 13.177 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 34.630 51.456 12.225 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 69.986 22.120 -5.249 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 69.884 23.035 -5.512 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 69.730 22.105 -4.327 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 68.795 91.644 17.103 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 68.944 90.714 17.276 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 67.853 91.712 16.949 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 69.421 58.134 63.569 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 69.191 57.865 62.680 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 70.334 57.865 63.672 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 40.620 16.987 37.227 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 41.516 16.745 37.461 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 40.358 16.336 36.576 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 35.138 91.010 31.490 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 35.410 90.496 32.251 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 35.936 91.116 30.973 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 28.447 39.029 11.008 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 28.660 39.810 11.520 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 29.257 38.821 10.542 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 43.524 25.459 61.610 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 42.700 25.688 61.180 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 44.189 25.959 61.136 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 58.817 91.808 -19.322 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 58.075 91.432 -19.795 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 58.425 92.459 -18.740 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 37.128 89.030 48.135 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 37.482 89.917 48.200 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 36.657 88.898 48.958 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 24.094 63.879 -0.875 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 24.925 63.584 -0.503 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 24.162 64.833 -0.888 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 88.923 21.970 39.576 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 88.730 22.844 39.914 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 89.878 21.909 39.597 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 66.082 61.590 33.521 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 66.487 61.901 32.712 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 65.160 61.833 33.436 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 64.736 46.207 53.472 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 65.026 46.721 52.719 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 63.903 45.825 53.195 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 90.277 9.270 10.152 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 89.805 9.817 9.525 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 89.960 8.383 9.983 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 59.581 22.758 61.581 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 58.893 22.224 61.183 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 59.885 23.325 60.872 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 46.750 86.226 33.035 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 46.804 86.402 32.096 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 46.999 85.306 33.122 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 38.018 12.085 -12.262 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 37.923 12.787 -11.618 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 37.143 11.986 -12.639 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 24.968 55.044 6.274 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 24.756 54.873 7.191 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 25.190 54.184 5.915 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 71.217 17.470 46.678 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 71.508 17.590 45.774 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 72.012 17.574 47.201 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 56.104 37.818 -15.169 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 55.426 38.482 -15.043 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 55.675 36.992 -14.946 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 51.593 80.262 -12.012 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 51.810 79.387 -11.690 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 51.106 80.107 -12.821 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 48.812 94.555 12.444 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 48.517 95.373 12.043 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 49.697 94.426 12.102 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 83.782 26.253 -5.583 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 84.108 26.488 -4.715 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 83.913 25.306 -5.641 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 35.127 34.420 -16.613 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 36.075 34.332 -16.515 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 35.012 35.238 -17.097 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 87.374 46.796 33.422 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 86.960 46.720 32.562 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 86.745 46.401 34.026 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 79.410 37.267 30.925 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 80.332 37.073 30.753 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 79.428 38.057 31.465 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 46.904 19.901 19.854 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 46.640 19.729 20.757 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 46.999 20.853 19.808 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 36.954 39.966 11.969 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 37.227 40.874 11.844 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 37.618 39.594 12.549 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 32.398 76.987 63.172 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 32.889 76.176 63.038 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 31.756 76.770 63.848 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 80.965 46.342 -3.455 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 81.490 46.518 -2.674 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 80.978 47.165 -3.944 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 78.021 12.491 44.607 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 78.091 11.871 43.881 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 78.912 12.566 44.946 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 84.230 87.589 52.746 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 84.705 86.853 53.132 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 83.307 87.384 52.895 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 22.437 67.136 51.219 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 22.571 66.905 50.300 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 23.213 67.645 51.455 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 60.156 47.999 -11.181 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 60.895 48.460 -11.577 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 60.557 47.295 -10.672 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 42.465 83.296 18.399 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 43.030 82.733 18.928 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 41.900 82.689 17.921 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 58.461 91.935 15.270 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 59.252 92.397 14.994 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 58.131 92.444 16.010 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 23.412 82.070 16.501 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 23.779 82.591 17.215 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 23.457 81.167 16.815 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 61.571 29.411 7.992 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 61.299 29.793 8.827 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 61.565 28.467 8.146 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 22.236 20.978 33.793 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 21.698 20.421 33.230 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 23.008 21.179 33.263 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 57.906 86.213 38.669 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 58.371 85.640 39.279 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 57.968 85.767 37.825 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 23.388 61.256 -12.623 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 24.282 60.915 -12.595 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 23.420 61.963 -13.266 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 26.634 88.152 62.714 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 26.172 88.132 63.552 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 27.086 88.996 62.709 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 37.106 64.486 13.663 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 36.709 64.888 14.435 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 37.915 64.091 13.987 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 35.435 71.776 -11.881 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 36.295 71.423 -11.650 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 35.235 71.383 -12.731 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 76.877 30.312 11.257 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 76.899 29.860 10.414 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 76.270 31.040 11.123 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 33.103 90.733 50.078 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 33.514 90.285 49.339 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 33.030 90.062 50.756 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 33.910 89.419 65.878 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 34.284 89.509 66.754 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 34.651 89.551 65.286 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 81.232 87.806 -8.223 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 81.579 87.032 -8.667 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 81.061 88.430 -8.928 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 27.410 43.526 17.688 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 26.666 44.000 18.058 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 27.846 44.167 17.125 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 28.136 33.610 62.906 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 28.946 33.994 62.572 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 27.780 33.119 62.165 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 42.958 6.310 -2.199 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 43.905 6.451 -2.178 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 42.668 6.754 -2.997 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 66.593 32.152 32.423 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 66.547 31.818 31.527 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 67.282 32.815 32.397 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 38.479 92.982 22.022 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 38.922 93.186 22.845 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 37.643 92.597 22.288 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 54.915 86.304 -15.968 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 55.862 86.268 -16.108 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 54.545 86.350 -16.849 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 28.583 41.705 44.295 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 29.054 42.465 44.638 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 27.677 42.003 44.209 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 41.312 32.226 30.699 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 41.145 33.161 30.580 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 42.067 32.044 30.140 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 76.525 57.609 20.546 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 75.814 56.998 20.741 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 77.052 57.627 21.344 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 64.640 52.770 63.463 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 65.127 52.971 62.664 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 64.936 51.895 63.711 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 38.215 56.917 45.688 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 37.634 57.104 44.950 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 38.920 56.391 45.311 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 44.144 49.035 47.218 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 44.966 49.115 47.702 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 44.358 49.327 46.332 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 57.965 7.112 10.091 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 58.216 6.387 10.662 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 57.700 7.810 10.691 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 55.876 31.081 14.646 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 55.803 31.784 14.000 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 55.163 31.247 15.262 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 68.192 35.723 35.064 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 68.592 35.916 35.912 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 67.792 36.550 34.794 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 31.189 68.568 36.819 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 30.906 67.697 36.542 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 31.845 68.825 36.171 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 31.733 89.574 31.816 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 32.014 90.430 32.138 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 31.664 89.032 32.602 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 88.871 76.519 28.239 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 89.729 76.573 28.661 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 88.670 75.583 28.225 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 41.298 20.230 45.487 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 41.229 19.527 44.841 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 40.436 20.647 45.481 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 90.292 52.658 42.745 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 91.192 52.950 42.895 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 89.888 52.672 43.613 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 89.620 55.192 21.345 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 89.346 54.276 21.389 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 88.843 55.688 21.605 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 79.679 82.615 32.680 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 79.755 83.342 33.298 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 78.785 82.680 32.343 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 74.234 45.714 13.263 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 74.894 45.682 13.956 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 73.945 44.806 13.166 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 88.333 54.096 4.021 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 87.488 54.530 3.901 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 88.154 53.393 4.647 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 25.032 51.739 -16.437 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 24.437 51.101 -16.042 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 24.563 52.571 -16.381 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 20.905 20.274 8.656 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 21.417 20.767 9.297 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 21.491 20.174 7.906 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 89.226 72.508 -14.557 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 88.339 72.161 -14.650 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 89.554 72.112 -13.750 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 56.099 58.902 -11.029 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 57.047 58.800 -10.941 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 55.804 58.080 -11.420 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 55.895 35.360 14.710 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 55.146 34.780 14.846 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 55.979 35.841 15.533 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 72.494 43.468 5.608 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 71.696 42.944 5.669 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 72.250 44.215 5.060 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 86.192 31.207 62.291 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 86.290 32.136 62.079 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 85.468 30.911 61.739 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 32.548 31.484 11.028 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 31.768 31.499 11.582 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 33.256 31.774 11.602 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 22.460 62.178 38.974 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 22.511 63.130 38.896 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 23.340 61.872 38.755 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 30.244 6.167 25.510 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 29.520 6.456 26.066 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 29.825 5.651 24.820 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 28.154 18.456 58.116 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 27.708 17.810 58.665 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 27.447 18.977 57.737 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 57.672 58.143 65.883 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 56.811 58.128 66.300 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 57.903 57.220 65.778 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 27.334 49.075 37.690 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 27.142 48.963 36.759 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 28.289 49.032 37.745 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 25.412 56.556 32.331 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 25.712 57.459 32.231 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 25.526 56.167 31.464 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 32.233 59.355 0.904 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 32.408 58.769 1.640 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 31.281 59.449 0.894 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 55.786 25.983 3.925 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 56.606 26.050 3.437 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 56.024 26.204 4.826 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 83.398 25.864 61.207 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 83.539 26.808 61.141 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 82.845 25.650 60.456 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 41.646 49.863 46.659 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 42.586 49.717 46.771 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 41.510 50.769 46.934 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 60.534 2.236 -1.852 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 60.927 2.729 -2.572 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 61.210 2.222 -1.174 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 47.431 9.283 -18.406 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 47.437 10.176 -18.060 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 46.503 9.072 -18.509 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 40.455 14.509 -4.441 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 41.010 15.037 -3.867 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 39.576 14.598 -4.074 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 38.735 31.712 54.542 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 39.361 32.061 53.908 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 38.000 31.405 54.011 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 76.115 31.450 64.061 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 76.671 31.372 63.285 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 75.531 32.183 63.866 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 26.527 63.617 3.853 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 27.104 63.923 3.153 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 26.824 64.087 4.632 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 71.983 16.036 -16.525 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 72.758 15.490 -16.649 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 71.401 15.795 -17.246 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 47.620 71.140 -1.840 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 47.142 71.046 -1.016 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 48.510 71.374 -1.577 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 48.888 54.412 7.708 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 48.069 54.451 8.202 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 49.332 55.234 7.915 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 72.323 58.910 -3.259 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 71.383 58.798 -3.123 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 72.557 58.232 -3.894 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 23.282 20.410 13.270 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 24.056 19.848 13.258 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 23.515 21.127 13.860 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 82.433 41.629 15.055 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 81.484 41.687 14.949 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 82.602 42.009 15.917 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 29.086 37.918 56.508 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 29.829 37.719 55.939 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 28.757 38.758 56.189 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 56.803 26.974 43.720 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 57.315 27.340 42.999 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 57.408 26.962 44.462 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 39.828 22.018 50.714 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 39.613 22.701 50.079 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 40.658 21.655 50.404 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 73.696 64.896 54.549 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 73.483 64.431 55.358 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 72.901 64.832 54.019 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 43.459 20.029 52.310 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 43.740 20.402 51.475 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 43.870 19.165 52.338 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 34.671 42.904 22.321 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 34.982 43.513 21.651 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 34.905 42.038 21.986 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 82.398 89.462 48.864 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 82.828 90.296 49.055 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 82.389 89.410 47.909 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 50.083 44.220 12.443 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 50.605 43.940 13.196 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 49.228 44.438 12.812 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 77.614 12.510 -17.106 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 78.177 11.807 -17.427 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 76.941 12.063 -16.591 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 22.457 49.558 -5.955 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 21.887 49.355 -6.696 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 21.873 49.560 -5.196 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 52.910 66.623 43.981 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 52.760 67.238 44.698 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 52.533 67.052 43.213 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 34.530 37.148 45.523 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 34.091 36.299 45.576 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 35.455 36.950 45.666 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 76.844 11.616 55.847 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 77.079 10.726 55.585 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 75.930 11.551 56.124 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 23.865 8.983 1.974 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 23.092 9.544 2.046 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 24.244 9.206 1.123 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 35.712 5.539 -2.795 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 35.607 5.569 -1.844 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 36.593 5.879 -2.949 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 54.150 49.877 66.561 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 54.498 49.127 67.042 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 54.637 49.881 65.737 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 47.132 0.441 -4.270 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 47.228 -0.478 -4.520 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 46.284 0.483 -3.828 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 39.540 68.574 29.212 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 39.417 67.751 28.740 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 40.488 68.645 29.327 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 36.602 70.114 65.627 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 36.538 69.726 64.754 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 37.056 70.945 65.487 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 64.297 29.782 33.501 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 64.440 30.684 33.215 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 63.544 29.833 34.089 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 78.088 21.582 66.811 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 77.506 22.287 67.093 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 77.596 21.122 66.131 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 22.018 65.541 21.133 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 22.294 64.626 21.073 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 21.254 65.523 21.710 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 88.837 11.665 38.450 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 89.449 12.346 38.172 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 89.394 10.977 38.814 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 76.689 16.081 42.701 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 76.112 16.263 41.959 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 76.096 15.827 43.409 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 36.791 96.494 48.160 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 37.405 97.218 48.283 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 37.115 96.033 47.387 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 23.881 41.670 43.714 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 23.137 42.227 43.483 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 24.629 42.268 43.741 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 53.429 86.646 -18.608 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 52.650 86.389 -18.114 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 53.387 86.125 -19.410 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 46.641 27.924 57.910 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 45.770 28.286 58.076 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 46.733 27.948 56.957 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 54.667 40.240 -18.417 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 55.091 40.650 -17.663 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 55.382 40.070 -19.031 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 31.750 1.017 30.538 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 30.940 0.762 30.980 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 32.045 1.796 31.009 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 76.065 44.545 47.957 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 76.477 45.311 48.356 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 76.011 43.905 48.667 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 44.983 7.518 31.184 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 45.454 6.772 30.815 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 44.181 7.140 31.546 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 64.275 44.932 55.978 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 64.343 45.248 55.077 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 63.363 44.654 56.067 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 44.487 9.198 1.714 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 44.415 9.631 2.564 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 44.778 8.310 1.920 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 71.606 1.924 48.709 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 70.990 1.268 49.037 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 72.374 1.418 48.442 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 86.850 24.459 59.192 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 85.949 24.140 59.132 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 87.384 23.727 58.882 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 57.685 85.116 -2.171 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 58.427 85.122 -1.566 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 57.876 85.817 -2.794 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 88.893 39.404 0.267 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 88.475 38.833 0.912 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 88.526 39.128 -0.572 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 63.878 11.915 46.458 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 63.006 11.978 46.067 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 63.714 11.697 47.375 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 86.492 58.370 38.748 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 86.186 57.660 38.184 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 85.700 58.862 38.966 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 28.192 91.821 -13.871 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 28.855 91.142 -13.996 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 28.234 92.348 -14.669 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 75.922 21.783 -6.930 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 76.747 22.265 -6.886 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 76.012 21.091 -6.275 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 72.741 12.951 43.747 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 72.095 13.437 44.259 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 72.228 12.294 43.276 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 57.873 16.053 -18.641 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 58.338 16.852 -18.393 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 57.145 15.997 -18.022 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 47.970 45.745 42.436 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 48.342 46.620 42.543 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 48.109 45.537 41.512 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 46.078 32.383 39.854 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 46.068 31.698 39.186 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 46.290 33.184 39.375 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 87.393 53.032 -14.655 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 87.386 53.562 -15.452 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 86.478 53.004 -14.377 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 49.940 77.668 14.189 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 49.485 77.057 14.769 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 49.693 78.534 14.513 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 22.966 73.271 54.081 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 23.854 73.480 53.791 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 22.511 73.002 53.283 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 71.265 66.499 -14.090 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 70.988 65.979 -13.335 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 70.451 66.853 -14.448 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 41.893 42.868 17.277 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 42.078 43.786 17.078 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 41.441 42.892 18.120 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 44.833 67.941 58.090 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 45.094 67.607 57.232 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 43.983 68.354 57.938 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 54.043 13.254 -15.126 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 54.818 12.735 -15.342 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 53.451 13.121 -15.866 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 60.806 18.198 46.304 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 60.229 18.961 46.274 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 61.554 18.442 45.759 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 53.403 65.423 64.289 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 52.816 65.877 64.893 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 52.892 65.326 63.486 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 89.931 79.498 49.487 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 89.151 79.878 49.084 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 90.263 80.186 50.064 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 24.883 39.272 6.254 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 25.813 39.173 6.454 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 24.623 40.073 6.710 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 35.977 45.593 -1.972 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 35.941 46.405 -2.478 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 36.805 45.645 -1.494 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 66.858 54.347 37.060 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 66.934 54.212 38.005 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 66.115 54.942 36.962 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 61.965 93.655 -4.287 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 61.588 93.663 -5.167 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 61.207 93.645 -3.702 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 65.522 16.653 34.135 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 65.995 15.916 33.750 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 66.104 17.403 34.011 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 23.489 34.933 0.841 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 24.370 35.276 0.692 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 23.065 34.979 -0.016 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 36.065 44.848 48.926 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 36.725 44.155 48.938 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 36.536 45.624 48.624 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 69.975 93.630 -2.788 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 70.324 93.804 -1.914 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 69.092 93.296 -2.631 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 83.331 60.540 14.012 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 82.697 59.843 13.843 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 83.038 60.937 14.833 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 39.948 31.300 8.633 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 40.533 32.028 8.841 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 39.314 31.290 9.350 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 44.394 3.985 -4.748 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 44.484 3.746 -3.826 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 44.098 3.182 -5.176 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 47.948 78.837 -6.995 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 47.073 79.159 -7.211 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 47.794 78.097 -6.408 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 31.366 59.384 19.106 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 31.084 59.796 19.922 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 31.711 58.532 19.374 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 48.800 36.569 25.646 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 49.318 36.253 24.905 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 48.325 35.797 25.953 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 73.146 89.458 64.818 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 73.727 88.699 64.878 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 73.494 89.969 64.088 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 53.113 68.080 26.056 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 53.027 67.904 26.993 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 52.373 68.650 25.850 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 55.748 20.979 56.005 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 55.629 21.603 55.288 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 54.900 20.543 56.086 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 60.843 30.848 -15.941 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 61.031 31.483 -15.250 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 59.892 30.882 -16.046 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 68.392 23.553 -8.005 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 68.766 22.888 -8.583 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 69.149 24.026 -7.661 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 59.119 35.297 13.311 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 58.801 35.911 13.973 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 58.988 34.434 13.702 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 36.664 93.665 25.605 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 36.586 92.927 26.210 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 36.120 94.351 25.992 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 88.572 75.582 33.588 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 88.037 75.199 32.893 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 88.580 76.520 33.395 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 31.424 67.226 -1.976 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 31.993 67.897 -1.600 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 31.024 66.798 -1.219 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 40.183 38.452 48.386 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 40.763 38.759 49.083 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 40.415 38.987 47.627 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 26.077 88.763 26.700 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 25.454 89.477 26.835 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 25.874 88.134 27.392 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 28.640 51.712 35.009 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 29.159 52.016 34.264 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 28.286 52.511 35.398 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 47.830 45.148 39.809 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 46.921 44.973 39.566 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 48.343 44.555 39.260 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 44.549 55.874 6.906 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 45.354 56.043 7.397 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 44.065 55.250 7.447 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 82.852 78.097 19.070 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 82.323 77.301 19.131 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 83.099 78.290 19.975 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 29.285 61.617 40.297 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 29.149 61.136 39.481 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 30.236 61.704 40.369 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 72.468 45.147 52.552 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 72.767 44.412 52.017 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 73.273 45.581 52.835 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 30.753 92.683 35.185 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 29.819 92.859 35.297 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 30.887 91.829 35.596 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 22.948 52.723 49.445 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 23.156 53.656 49.473 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 22.798 52.538 48.518 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 52.310 19.164 41.056 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 52.214 18.407 41.633 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 51.447 19.271 40.655 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 90.121 80.583 40.938 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 89.391 80.057 40.611 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 89.725 81.423 41.172 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 84.461 55.493 49.872 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 85.285 55.399 49.394 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 83.873 55.929 49.254 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 84.533 74.615 65.669 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 84.493 75.556 65.839 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 83.850 74.459 65.017 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 76.617 96.812 36.593 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 75.775 96.463 36.301 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 77.138 96.038 36.805 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 57.431 78.089 47.699 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 57.245 77.334 47.140 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 56.597 78.556 47.757 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 86.395 10.580 -9.488 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 87.255 10.977 -9.350 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 86.341 10.446 -10.434 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 76.411 86.973 -8.115 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 77.365 86.899 -8.124 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 76.213 87.614 -8.797 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 59.052 41.444 44.511 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 58.313 41.613 45.095 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 58.684 41.518 43.631 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 44.047 45.540 39.907 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 44.659 45.507 39.172 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 44.489 46.079 40.563 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 62.867 16.797 33.764 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 63.815 16.675 33.820 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 62.508 15.911 33.821 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 38.501 4.904 48.711 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 38.352 4.642 49.620 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 39.451 4.855 48.600 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 78.597 46.801 52.158 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 78.911 46.883 53.059 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 79.313 47.145 51.623 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 41.632 87.281 -12.032 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 40.971 87.325 -11.341 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 41.164 87.534 -12.828 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 59.126 21.691 23.571 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 58.459 21.980 22.949 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 58.820 22.013 24.419 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 27.662 47.676 25.937 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 28.171 48.410 25.592 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 28.190 47.336 26.659 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 63.781 27.356 31.818 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 63.767 28.164 32.332 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 64.236 27.594 31.010 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 62.624 59.317 24.857 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 62.115 59.285 24.047 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 61.969 59.278 25.554 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 67.025 36.114 -10.391 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 66.501 36.885 -10.177 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 67.780 36.460 -10.866 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 55.867 41.667 2.383 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 56.197 40.966 2.946 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 54.922 41.521 2.349 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 84.723 28.355 60.951 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 85.355 27.896 60.398 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 84.124 28.775 60.333 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 67.772 31.191 55.233 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 66.856 31.446 55.125 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 68.254 31.772 54.645 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 39.124 82.538 31.107 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 39.746 83.227 30.875 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 38.369 83.006 31.463 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 50.602 48.001 -8.986 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 50.824 48.024 -9.917 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 50.746 48.897 -8.683 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 32.044 91.752 30.110 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 32.033 90.832 30.374 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 31.203 91.885 29.672 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 90.768 80.834 65.867 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 90.114 81.391 66.290 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 90.843 80.073 66.442 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 60.169 30.565 30.088 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 60.732 31.158 29.591 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 59.280 30.873 29.911 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 73.759 29.608 17.174 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 73.650 30.407 16.658 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 74.601 29.720 17.615 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 29.702 52.954 12.145 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 29.636 53.218 11.227 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 30.522 52.463 12.194 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 67.999 39.098 2.972 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 68.732 39.489 3.447 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 67.849 38.260 3.411 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 43.509 13.282 24.584 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 43.288 13.616 23.715 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 43.755 14.059 25.085 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 66.631 46.613 40.841 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 67.107 47.176 40.230 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 65.757 47.000 40.892 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 73.655 50.330 41.894 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 73.898 49.456 41.587 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 72.731 50.418 41.658 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 40.029 61.387 38.424 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 40.905 61.704 38.647 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 39.677 62.051 37.832 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 86.677 61.554 27.974 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 85.998 60.925 27.730 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 86.323 62.005 28.741 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 30.879 10.111 31.718 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 30.032 10.456 31.435 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 31.465 10.277 30.979 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 53.850 43.128 41.949 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 53.603 43.303 41.041 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 54.147 42.218 41.945 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 26.997 55.212 61.094 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 26.649 54.424 61.512 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 27.937 55.182 61.270 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 25.197 91.245 22.277 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 24.970 91.678 21.454 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 24.654 90.457 22.292 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 50.901 39.179 52.765 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 51.258 39.349 51.893 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 49.952 39.195 52.642 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 54.296 41.846 47.926 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 55.039 41.783 47.327 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 53.756 42.550 47.564 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 41.069 40.128 -17.277 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 40.201 40.188 -17.675 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 40.903 40.145 -16.334 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 38.468 34.010 -4.821 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 38.014 34.203 -4.000 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 39.396 34.001 -4.586 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 32.875 12.117 -13.473 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 33.066 12.455 -14.347 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 33.132 11.196 -13.510 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 31.178 43.105 66.354 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 30.711 42.989 67.182 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 31.864 43.742 66.553 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 74.428 51.673 61.176 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 73.784 51.208 60.642 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 74.771 52.355 60.599 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 45.818 35.993 51.303 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 46.143 35.684 52.148 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 45.901 36.946 51.348 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 50.495 32.180 20.415 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 49.743 31.750 20.008 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 50.156 33.024 20.712 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 86.137 45.506 9.251 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 85.594 44.718 9.282 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 85.612 46.177 9.687 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 49.077 83.737 -5.993 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 48.587 83.506 -6.782 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 49.403 82.902 -5.659 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 43.838 37.763 43.193 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 44.434 38.478 43.414 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 43.298 38.111 42.483 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 88.596 33.613 40.390 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 88.720 33.466 41.328 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 89.264 34.258 40.158 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 52.408 70.298 58.419 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 52.366 70.268 57.463 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 51.832 69.590 58.707 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 73.379 58.110 36.474 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 72.857 58.859 36.761 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 72.738 57.415 36.322 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 90.730 35.377 28.390 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 90.345 36.160 28.785 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 90.969 35.648 27.504 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 63.266 32.084 35.794 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 62.312 32.132 35.742 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 63.572 32.844 35.298 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 54.981 45.889 32.859 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 55.661 45.342 32.467 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 54.216 45.760 32.298 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 26.473 72.717 -12.867 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 26.718 73.563 -12.490 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 26.204 72.189 -12.115 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 49.077 85.532 27.111 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 49.531 84.707 26.939 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 48.963 85.550 28.061 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 54.659 74.476 32.781 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 54.243 74.257 33.614 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 54.359 73.797 32.176 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 80.720 39.652 -2.988 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 80.033 40.094 -2.489 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 81.533 40.059 -2.687 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 24.039 36.912 45.406 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 24.417 37.048 46.275 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 23.814 37.791 45.102 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 79.744 46.505 54.887 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 79.335 45.663 55.089 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 79.738 46.980 55.718 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 85.329 53.966 21.091 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 85.346 53.020 20.943 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 85.396 54.060 22.042 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 37.675 62.879 64.736 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 37.232 63.728 64.761 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 38.178 62.848 65.550 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 27.625 55.228 14.921 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 27.673 54.412 15.420 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 28.430 55.241 14.403 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 77.922 4.629 37.767 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 78.877 4.622 37.701 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 77.618 4.470 36.873 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 81.509 93.844 54.853 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 82.116 94.498 55.199 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 82.053 93.279 54.304 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 25.218 16.034 -19.658 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 24.340 15.746 -19.907 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 25.365 16.827 -20.174 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 83.607 44.966 29.664 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 83.864 44.093 29.366 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 82.717 44.854 29.997 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 34.395 59.672 60.472 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 35.122 59.129 60.167 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 34.474 60.483 59.971 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 28.406 41.689 20.876 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 29.186 42.194 20.641 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 27.749 42.350 21.092 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 26.653 54.377 21.685 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 26.739 54.824 20.843 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 26.666 53.445 21.465 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 24.020 4.119 3.665 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 23.452 3.545 4.178 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 23.417 4.686 3.184 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 34.517 45.286 7.045 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 35.298 44.734 6.996 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 33.795 44.669 7.165 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 77.709 46.775 57.698 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 77.080 47.197 57.113 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 77.721 45.860 57.417 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 60.543 9.159 50.579 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 60.006 9.021 51.358 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 61.126 9.881 50.813 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 28.280 18.414 28.872 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 27.977 18.565 29.767 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 27.548 17.974 28.441 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 57.398 40.643 -5.849 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 58.037 41.357 -5.842 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 56.550 41.081 -5.922 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 25.182 90.415 54.694 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 25.697 90.295 53.896 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 24.329 90.032 54.489 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 21.099 58.299 29.821 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 21.322 57.393 29.607 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 21.594 58.823 29.193 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 71.702 43.510 44.154 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 71.797 42.851 44.842 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 72.411 44.132 44.318 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 38.210 38.245 -8.636 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 37.298 37.957 -8.677 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 38.447 38.417 -9.547 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 59.503 66.196 -19.946 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 58.700 66.056 -19.444 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 60.063 66.712 -19.366 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 53.781 3.859 60.166 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 53.855 4.451 60.914 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 53.607 4.434 59.421 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 56.660 29.965 67.453 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 56.329 29.666 66.606 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 56.822 30.901 67.330 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 33.892 12.015 27.472 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 33.610 12.205 26.577 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 34.415 12.776 27.725 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 73.226 61.644 -7.697 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 72.523 61.183 -7.238 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 72.772 62.220 -8.313 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 39.887 58.595 7.818 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 39.922 57.743 8.254 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 40.805 58.841 7.700 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 86.836 31.703 56.697 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 86.580 32.103 57.529 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 86.037 31.286 56.375 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 25.084 72.012 57.570 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 24.201 71.726 57.334 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 25.607 71.845 56.786 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 75.974 90.946 32.094 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 75.049 90.702 32.059 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 76.259 90.940 31.181 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 65.056 21.968 61.524 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 65.177 22.619 62.214 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 64.250 21.511 61.764 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 50.484 12.136 31.610 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 49.647 11.739 31.370 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 50.448 13.016 31.234 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 49.774 45.970 34.563 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 50.394 45.274 34.347 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 50.187 46.770 34.237 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 63.515 28.291 25.510 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 63.222 27.593 24.924 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 63.704 29.028 24.930 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 21.463 25.544 -4.289 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 20.823 24.977 -4.721 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 20.963 26.319 -4.036 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 26.334 68.877 -16.532 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 26.894 68.112 -16.396 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 26.620 69.504 -15.868 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 89.078 50.820 32.095 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 89.207 51.712 32.417 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 89.619 50.768 31.308 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 89.715 76.820 -12.237 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 90.221 76.009 -12.283 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 88.841 76.576 -12.540 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 21.178 62.181 47.024 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 21.221 61.501 46.351 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 21.008 62.988 46.539 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 28.558 64.332 13.667 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 27.731 64.693 13.985 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 29.224 64.947 13.975 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 58.706 76.461 -1.843 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 58.303 75.614 -2.036 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 58.110 76.874 -1.219 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 86.741 55.092 13.086 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 86.174 55.699 12.612 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 86.595 55.298 14.010 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 32.405 80.655 11.946 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 32.526 81.508 12.364 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 33.072 80.627 11.261 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 35.208 67.455 23.314 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 35.789 67.122 22.630 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 35.475 66.987 24.105 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 47.552 55.525 19.561 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 47.728 55.187 18.684 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 47.468 56.471 19.441 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 27.361 57.698 4.786 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 26.719 57.318 5.386 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 27.030 58.579 4.608 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 72.370 60.550 7.467 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 72.717 61.204 8.073 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 71.433 60.516 7.661 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 89.573 42.259 7.512 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 88.766 41.767 7.359 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 89.341 42.896 8.187 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 88.601 26.269 -10.431 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 89.033 26.622 -11.209 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 88.268 27.040 -9.971 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 68.506 57.628 37.953 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 68.442 58.581 38.026 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 68.568 57.322 38.858 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 48.385 63.355 10.502 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 48.277 63.625 11.414 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 49.267 63.644 10.269 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 28.933 22.957 34.318 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 28.488 23.726 33.961 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 28.608 22.226 33.793 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 46.401 36.704 61.511 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 46.029 37.411 62.038 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 47.170 37.093 61.095 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 41.391 8.814 59.989 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 41.210 8.019 60.490 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 41.310 9.523 60.627 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 60.239 56.245 -8.315 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 60.229 57.188 -8.482 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 59.565 55.892 -8.896 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 23.808 23.674 -9.050 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 23.133 24.073 -8.501 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 24.630 24.046 -8.728 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 43.306 49.451 13.369 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 44.210 49.197 13.555 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 42.868 49.418 14.219 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 27.624 22.815 -2.578 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 27.339 23.335 -1.827 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 28.452 22.424 -2.299 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 77.878 38.997 -19.237 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 77.831 38.273 -19.861 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 78.644 39.501 -19.512 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 65.613 17.461 15.468 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 64.859 17.866 15.039 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 65.309 16.586 15.712 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 30.413 78.767 36.398 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 29.878 79.554 36.293 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 31.211 78.953 35.904 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 88.467 6.620 -4.466 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 88.420 6.274 -3.575 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 87.557 6.794 -4.704 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 86.527 1.777 43.134 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 87.388 1.685 43.542 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 86.023 1.035 43.469 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 43.023 6.478 14.827 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 42.577 5.860 14.248 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 43.063 6.029 15.672 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 81.692 71.925 30.943 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 81.239 71.133 31.232 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 82.345 71.614 30.316 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 38.419 48.813 13.232 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 38.724 49.486 13.840 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 38.655 47.986 13.651 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 39.858 37.484 37.144 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 38.977 37.848 37.065 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 40.337 38.126 37.669 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 59.439 66.527 34.032 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 58.559 66.900 33.978 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 59.312 65.590 33.886 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 34.004 17.190 6.692 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 34.908 17.244 7.004 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 34.066 17.344 5.750 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 83.426 30.097 9.101 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 83.166 29.725 8.258 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 84.307 30.440 8.951 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 41.238 7.345 -16.891 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 42.097 7.067 -16.573 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 41.267 7.182 -17.834 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 78.096 84.050 19.625 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 78.314 83.136 19.442 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 78.185 84.132 20.575 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 41.810 24.415 1.143 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 41.899 25.330 1.410 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 42.624 24.001 1.429 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 84.451 57.378 5.288 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 83.594 56.951 5.272 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 84.302 58.201 5.753 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 72.688 26.548 -8.107 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 71.886 26.330 -8.582 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 72.538 27.434 -7.777 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 79.370 81.758 -0.564 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 78.758 82.288 -0.053 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 80.207 82.216 -0.485 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 35.721 9.545 2.636 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 36.237 9.263 1.881 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 36.340 9.538 3.366 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 77.052 84.437 4.459 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 76.204 84.212 4.077 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 77.343 85.203 3.965 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 84.755 42.258 -10.692 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 84.684 42.451 -11.627 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 83.850 42.154 -10.399 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 41.297 35.174 64.820 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 41.068 34.333 65.216 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 40.493 35.463 64.389 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 59.824 94.449 35.112 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 60.105 93.610 34.748 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 59.218 94.803 34.460 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 48.704 7.293 13.921 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 49.551 7.683 13.706 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 48.179 7.406 13.129 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 66.980 34.523 59.277 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 67.308 34.988 60.046 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 66.031 34.495 59.400 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 51.435 48.571 37.563 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 52.271 48.982 37.342 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 51.362 48.673 38.512 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 25.504 2.480 1.551 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 24.660 2.032 1.489 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 25.319 3.270 2.059 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 50.345 32.920 48.849 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 50.864 33.723 48.905 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 50.572 32.548 47.997 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 64.424 35.068 60.205 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 64.063 34.388 60.774 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 63.894 35.843 60.391 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 79.996 25.746 -1.422 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 80.390 26.460 -1.924 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 80.649 25.047 -1.447 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 37.865 9.727 30.308 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 37.794 10.549 29.822 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 37.081 9.704 30.856 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 24.284 5.743 0.724 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 23.729 6.000 1.460 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 23.913 4.914 0.421 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 88.342 47.272 62.748 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 87.874 47.199 61.916 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 88.310 46.391 63.119 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 65.209 59.633 55.362 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 65.466 59.384 54.474 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 64.285 59.870 55.288 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 41.078 23.912 56.590 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 41.011 22.958 56.560 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 40.607 24.211 55.812 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 58.304 2.940 23.671 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 59.227 3.114 23.486 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 58.266 1.997 23.832 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 38.059 66.659 40.700 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 38.610 66.658 41.483 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 38.662 66.860 39.984 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 86.426 63.657 -9.723 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 86.393 63.115 -10.511 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 85.604 63.470 -9.269 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 53.601 59.241 53.485 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 52.674 59.006 53.500 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 54.014 58.554 52.961 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 51.497 33.106 40.034 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 51.092 32.273 39.792 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 52.379 33.061 39.663 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 65.560 74.438 41.705 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 65.743 73.519 41.511 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 65.762 74.900 40.891 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 78.692 48.859 -17.110 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 78.933 49.780 -17.008 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 77.962 48.733 -16.504 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 59.656 38.943 62.022 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 60.124 39.638 61.559 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 59.597 39.254 62.925 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 45.201 34.767 62.776 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 45.624 35.548 62.417 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 45.770 34.496 63.496 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 64.114 33.541 4.799 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 64.329 34.302 4.259 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 63.737 33.911 5.597 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 45.057 71.269 49.558 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 44.645 71.879 48.947 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 44.360 70.656 49.792 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 89.442 37.845 26.271 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 89.964 37.947 27.066 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 89.237 38.741 26.002 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 89.848 85.646 -2.261 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 90.176 86.137 -1.508 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 89.637 86.316 -2.911 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 74.461 13.670 49.652 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 73.564 13.529 49.350 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 74.430 13.489 50.591 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 73.649 47.503 24.139 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 73.373 46.594 24.020 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 72.837 47.980 24.309 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 48.006 7.434 -9.097 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 48.213 8.349 -9.289 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 48.859 7.009 -9.010 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 62.568 42.146 42.883 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 62.259 41.601 43.606 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 63.495 41.925 42.795 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 21.498 33.581 53.735 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 20.766 33.862 53.185 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 22.278 33.868 53.260 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 59.632 1.976 50.871 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 58.966 1.537 50.342 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 59.322 1.882 51.772 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 32.270 77.987 13.091 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 32.926 77.732 12.442 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 32.187 78.935 12.989 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 83.788 91.873 49.222 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 83.141 92.360 49.732 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 84.628 92.096 49.623 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 80.990 28.982 49.050 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 81.882 29.219 49.304 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 80.936 28.041 49.215 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 56.577 79.370 27.793 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 55.942 79.999 28.136 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 56.043 78.692 27.380 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 74.236 0.681 48.914 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 74.222 -0.256 49.107 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 75.101 0.835 48.534 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 30.910 25.879 -17.078 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 30.367 26.623 -17.338 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 31.468 26.221 -16.379 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 64.971 26.441 -13.796 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 65.557 26.970 -13.255 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 65.457 25.632 -13.958 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 64.219 49.565 -3.571 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 63.489 49.557 -2.953 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 63.856 49.954 -4.367 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 52.415 3.714 -3.896 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 51.966 3.787 -4.739 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 51.709 3.632 -3.255 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 71.593 47.567 -0.429 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 71.220 47.964 -1.216 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 70.839 47.199 0.033 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 63.039 61.878 58.984 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 62.179 62.259 59.159 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 62.852 61.080 58.491 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 70.997 72.276 -2.655 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 71.225 71.398 -2.961 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 70.308 72.566 -3.254 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 22.948 34.421 7.972 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 22.966 34.879 8.813 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 23.678 34.795 7.479 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 26.314 5.596 29.491 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 25.963 4.789 29.867 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 26.242 5.470 28.544 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 50.510 94.539 38.010 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 50.209 94.479 37.103 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 49.919 93.965 38.497 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 87.105 12.652 63.141 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 87.567 12.009 63.678 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 86.238 12.720 63.542 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 77.066 75.759 57.695 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 77.895 75.315 57.514 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 76.415 75.057 57.704 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 85.699 95.512 58.982 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 84.860 95.524 59.443 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 86.045 94.632 59.136 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 58.228 18.418 5.425 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 58.676 18.470 6.269 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 58.473 19.225 4.973 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 44.149 75.490 1.512 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 44.549 74.637 1.679 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 44.686 75.876 0.820 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 83.481 18.961 4.597 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 83.935 19.759 4.325 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 82.590 19.248 4.795 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 34.058 85.766 10.381 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 33.911 86.649 10.041 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 33.522 85.202 9.824 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 85.600 95.452 -14.665 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 86.309 95.386 -15.305 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 85.419 94.546 -14.414 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 42.191 27.195 30.066 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 41.839 27.474 29.220 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 43.140 27.265 29.966 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 56.418 69.665 31.504 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 56.190 69.814 32.421 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 55.615 69.863 31.022 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 30.816 61.573 5.099 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 31.386 60.829 5.296 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 31.348 62.343 5.299 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 31.400 91.101 64.429 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 31.671 91.562 63.636 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 32.150 90.548 64.652 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 64.944 0.177 57.679 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 65.034 0.062 56.733 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 65.558 0.879 57.895 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 47.876 18.298 15.970 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 48.421 18.704 16.644 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 47.805 18.963 15.286 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 24.855 78.778 15.526 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 24.533 77.881 15.435 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 24.413 79.113 16.306 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 30.891 5.749 34.627 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 30.586 4.906 34.293 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 30.932 6.313 33.855 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 41.332 75.764 12.740 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 40.912 76.280 13.428 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 40.758 75.007 12.624 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 62.275 79.147 43.015 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 63.092 78.849 43.415 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 62.028 78.440 42.419 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 85.220 73.321 10.119 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 85.924 73.576 10.716 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 85.672 72.981 9.347 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 72.121 38.514 10.742 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 71.844 39.405 10.526 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 71.310 38.058 10.965 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 23.864 12.177 5.250 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 24.266 11.592 4.607 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 24.080 11.787 6.097 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 70.935 41.828 -1.833 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 71.280 41.973 -0.952 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 70.435 41.014 -1.764 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 37.775 77.180 31.293 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 37.244 76.873 32.028 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 38.665 76.902 31.508 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 20.303 79.487 -12.000 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 21.165 79.337 -12.388 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 19.905 78.618 -11.955 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 42.026 27.151 -16.713 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 41.834 26.874 -17.609 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 41.182 27.112 -16.263 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 78.957 18.304 46.214 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 78.423 17.521 46.078 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 79.810 18.079 45.843 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 25.115 49.410 32.491 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 25.773 50.102 32.421 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 24.355 49.754 32.022 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 81.501 32.666 21.433 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 81.343 32.736 22.375 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 81.613 33.570 21.141 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 24.085 5.113 59.022 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 24.177 4.480 58.310 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 24.336 5.951 58.631 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 26.018 77.053 49.300 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 25.909 76.649 48.439 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 25.125 77.182 49.620 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 43.106 79.416 4.096 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 42.588 78.638 3.889 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 43.381 79.755 3.244 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 54.455 93.343 25.470 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 53.751 93.694 26.016 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 54.547 92.433 25.753 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 35.615 94.152 -16.579 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 36.218 94.892 -16.647 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 35.947 93.513 -17.210 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 74.589 30.565 23.996 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 73.859 31.144 24.214 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 75.352 30.979 24.398 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 50.217 56.827 0.054 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 50.618 56.207 0.664 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 50.458 57.688 0.395 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 52.187 50.203 63.444 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 52.482 50.030 62.550 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 51.606 49.470 63.650 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 24.973 74.990 -1.621 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 25.101 74.707 -2.527 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 25.856 75.175 -1.300 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 72.773 41.951 61.823 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 72.202 42.009 62.589 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 72.185 42.063 61.076 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 28.580 59.661 55.304 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 27.764 59.870 55.759 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 28.394 59.840 54.383 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 57.228 96.318 44.211 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 57.236 96.976 43.515 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 57.842 96.653 44.865 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 28.174 18.185 -1.727 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 27.886 18.863 -1.116 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 28.733 18.647 -2.352 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 35.749 93.948 49.045 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 35.330 94.142 48.206 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 36.481 94.563 49.095 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 26.228 34.285 -9.744 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 26.932 34.689 -10.253 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 25.445 34.779 -9.985 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 43.426 1.124 -0.486 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 42.844 1.547 0.145 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 44.005 0.581 0.048 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 66.674 22.022 11.835 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 66.300 21.901 12.707 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 65.933 21.911 11.239 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 77.378 25.532 -0.476 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 78.157 25.750 -0.989 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 77.156 26.344 -0.021 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 20.628 39.581 42.390 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 21.127 39.746 41.590 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 20.448 40.452 42.745 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 27.118 20.788 34.204 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 26.424 20.734 34.860 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 27.589 19.958 34.283 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 34.933 22.666 26.664 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 35.077 22.269 27.523 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 34.170 22.207 26.313 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 32.119 38.953 48.944 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 32.056 38.814 47.999 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 32.997 39.308 49.076 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 81.992 94.223 12.440 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 82.403 93.949 11.620 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 81.918 93.418 12.952 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 36.685 56.796 35.468 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 36.853 57.565 36.012 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 37.498 56.665 34.980 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 53.689 82.796 17.569 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 53.704 83.181 16.693 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 52.810 82.981 17.899 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 84.858 80.495 6.221 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 84.485 79.901 5.569 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 84.938 79.962 7.012 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 29.355 33.071 -7.877 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 28.441 33.262 -8.089 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 29.709 32.681 -8.676 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 66.901 40.069 44.483 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 66.831 40.763 43.827 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 66.071 39.596 44.421 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 77.545 37.873 18.676 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 76.743 37.440 18.383 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 77.685 38.575 18.041 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 58.766 11.747 29.942 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 59.435 12.431 29.942 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 57.935 12.223 29.934 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 40.684 2.996 9.912 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 40.185 2.339 10.397 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 40.549 3.808 10.400 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 26.554 84.985 17.560 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 26.654 84.868 16.615 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 27.416 85.276 17.858 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 27.649 60.982 37.483 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 27.123 60.776 36.710 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 28.292 61.619 37.172 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 32.987 22.505 51.451 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 33.765 23.056 51.541 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 33.218 21.689 51.896 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 63.199 39.691 49.381 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 62.743 38.902 49.090 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 63.478 39.492 50.275 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 31.650 42.635 13.956 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 31.449 43.492 14.332 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 32.227 42.826 13.217 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 31.484 86.321 44.013 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 31.948 85.487 44.082 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 30.669 86.104 43.559 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 65.123 21.122 3.928 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 64.354 21.568 3.573 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 65.050 21.237 4.876 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 57.205 27.912 53.135 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 56.985 27.040 53.463 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 56.873 27.922 52.237 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 37.994 37.591 66.034 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 37.353 36.880 66.056 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 38.637 37.315 65.381 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 27.281 93.659 -6.478 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 27.488 93.992 -5.605 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 26.878 94.401 -6.929 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 73.351 31.060 32.998 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 74.060 31.697 32.921 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 72.620 31.557 33.366 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 36.077 6.616 9.245 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 35.921 6.663 10.188 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 36.952 6.237 9.165 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 61.714 25.382 42.598 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 61.961 26.307 42.598 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 62.486 24.928 42.260 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 65.338 14.427 2.119 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 64.819 15.160 1.789 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 66.212 14.793 2.253 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 64.313 5.386 47.945 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 64.139 4.982 48.795 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 64.770 4.708 47.446 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 41.245 92.284 55.499 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 41.787 93.044 55.714 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 41.806 91.530 55.680 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 46.473 68.196 62.589 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 45.984 68.939 62.943 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 46.531 68.372 61.650 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 36.745 24.514 63.434 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 36.873 24.043 62.611 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 36.476 23.839 64.057 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 85.391 66.243 53.105 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 85.950 65.466 53.122 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 84.499 65.896 53.079 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 35.176 76.621 31.212 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 34.260 76.681 30.941 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 35.663 77.055 30.511 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 68.354 28.119 52.781 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 67.417 28.232 52.941 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 68.522 28.617 51.981 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 50.854 14.556 53.489 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 50.065 14.014 53.472 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 50.537 15.436 53.692 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 37.183 28.221 58.610 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 37.271 27.285 58.791 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 37.297 28.642 59.461 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 89.308 6.557 60.006 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 90.237 6.430 59.815 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 89.196 6.210 60.891 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 46.324 11.461 18.186 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 47.057 12.064 18.310 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 45.554 11.961 18.457 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 42.090 59.768 -16.889 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 43.005 59.612 -16.655 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 41.713 60.192 -16.118 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 59.569 44.271 31.351 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 60.425 43.853 31.258 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 59.766 45.202 31.452 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 57.009 2.705 58.773 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 56.554 2.856 57.944 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 56.535 1.979 59.178 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 38.250 38.810 3.874 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 37.537 38.347 4.313 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 39.045 38.380 4.187 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 38.182 39.017 19.321 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 38.746 38.582 19.959 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 38.724 39.719 18.961 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 38.967 50.541 15.069 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 38.684 50.853 15.929 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 39.922 50.522 15.123 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 27.169 66.600 61.288 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 27.755 65.877 61.061 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 26.720 66.811 60.469 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 40.582 28.140 44.028 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 40.887 28.584 43.236 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 39.711 28.505 44.187 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 44.639 20.246 -1.695 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 44.701 21.201 -1.682 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 44.485 20.028 -2.615 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 68.586 3.581 17.854 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 68.255 4.474 17.948 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 69.503 3.691 17.600 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 66.688 33.551 18.566 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 65.945 33.651 19.162 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 66.338 33.782 17.705 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 31.051 14.994 23.722 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 31.156 15.444 22.884 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 31.924 15.013 24.115 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 86.753 32.941 47.234 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 87.402 32.261 47.411 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 87.108 33.424 46.488 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 34.524 32.340 12.970 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 35.148 32.893 12.500 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 34.184 32.900 13.667 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 47.025 11.470 -13.674 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 46.346 11.023 -13.169 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 47.638 11.796 -13.015 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 78.460 47.125 40.924 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 78.179 46.938 40.028 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 77.800 47.730 41.261 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 59.737 44.011 53.511 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 59.036 44.061 52.860 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 59.289 44.094 54.353 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 58.776 56.302 38.857 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 58.647 56.785 38.040 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 57.915 55.932 39.055 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 26.727 7.951 66.696 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 26.708 7.619 67.594 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 26.793 7.167 66.151 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 48.905 20.537 4.425 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 49.368 21.337 4.177 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 48.958 20.516 5.380 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 86.694 32.513 67.410 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 86.561 32.130 66.543 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 85.851 32.408 67.851 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 66.842 95.002 62.740 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 66.485 95.249 61.887 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 67.379 94.230 62.562 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 21.770 95.449 0.748 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 21.613 94.921 -0.034 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 21.915 94.809 1.445 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 28.889 47.201 51.677 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 29.390 47.483 50.912 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 28.565 46.331 51.444 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 36.649 89.733 14.773 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 37.054 90.505 15.170 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 37.151 88.995 15.119 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 64.931 81.065 -8.556 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 65.341 81.878 -8.851 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 65.641 80.575 -8.140 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 20.932 95.013 -18.568 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 21.137 95.052 -17.634 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 21.786 94.985 -19.000 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 27.213 32.471 -2.471 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 26.797 31.617 -2.592 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 26.968 32.970 -3.250 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 78.630 71.252 38.579 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 78.847 71.676 37.749 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 78.410 70.352 38.339 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 52.023 40.875 43.664 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 52.397 40.965 42.788 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 52.473 41.540 44.186 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 22.800 41.814 -0.053 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 23.182 41.184 0.557 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 21.988 42.095 0.370 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 36.086 34.646 9.662 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 36.649 35.389 9.879 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 35.216 34.908 9.961 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 33.588 79.892 22.454 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 34.020 79.853 23.308 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 33.493 78.976 22.192 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 36.917 11.819 28.789 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 36.511 12.420 28.165 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 36.188 11.490 29.315 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 20.619 13.955 55.667 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 20.623 14.546 56.420 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 20.171 13.170 55.981 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 74.229 39.402 60.031 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 73.357 39.018 60.118 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 74.348 39.517 59.088 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 63.898 34.193 19.329 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 63.103 34.169 19.860 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 63.651 33.770 18.507 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 83.061 31.296 63.499 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 82.639 30.979 62.701 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 82.595 32.104 63.713 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 75.187 24.891 9.681 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 74.270 24.816 9.415 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 75.164 24.852 10.637 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 74.276 26.194 55.061 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 74.678 25.940 54.230 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 73.593 26.818 54.816 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 58.220 43.813 -3.701 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 57.928 43.497 -2.846 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 58.988 44.351 -3.508 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 46.285 46.267 -1.149 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 45.728 46.697 -1.798 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 46.112 45.333 -1.266 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 80.312 56.033 50.164 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 80.420 55.297 50.767 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 79.365 56.105 50.042 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 49.614 12.065 58.461 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 49.110 11.253 58.416 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 50.229 11.927 59.181 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 83.864 16.138 7.118 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 83.854 15.201 7.311 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 83.685 16.192 6.179 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 55.826 64.770 42.209 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 55.509 64.711 43.110 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 56.156 63.893 42.013 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 62.356 71.130 28.177 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 61.719 71.251 28.882 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 62.252 70.215 27.915 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 27.427 46.237 64.657 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 26.584 46.568 64.966 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 27.809 46.969 64.172 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 69.566 41.493 23.407 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 69.144 42.185 22.898 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 69.427 41.748 24.319 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 33.792 8.154 -1.757 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 33.221 7.448 -2.058 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 33.868 8.015 -0.813 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 75.282 36.818 17.648 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 75.241 36.406 16.785 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 74.859 36.190 18.233 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 38.407 63.663 42.596 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 39.199 64.028 42.201 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 37.923 64.427 42.911 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 76.104 38.158 61.343 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 75.501 38.620 60.761 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 75.591 37.427 61.689 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 33.856 82.201 -11.419 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 33.768 81.839 -10.537 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 33.309 82.986 -11.411 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 63.280 39.222 65.565 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 62.480 39.427 66.049 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 63.970 39.223 66.229 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 41.652 29.307 -3.377 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 41.657 29.307 -2.420 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 42.262 30.004 -3.620 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 76.348 77.164 19.287 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 75.683 76.793 19.867 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 75.995 77.038 18.406 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 72.576 47.590 19.892 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 73.168 46.897 20.184 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 71.781 47.459 20.408 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 41.773 80.006 10.399 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 42.598 80.194 9.952 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 42.011 79.390 11.092 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 83.311 67.594 -0.006 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 83.060 66.780 -0.443 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 82.517 67.879 0.445 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 26.474 10.751 53.649 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 26.336 9.822 53.833 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 27.372 10.921 53.934 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 78.900 47.999 47.199 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 78.853 47.515 48.024 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 78.207 48.656 47.266 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 87.964 30.405 19.131 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 87.987 30.959 19.912 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 87.131 29.938 19.193 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 62.441 19.754 5.487 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 62.081 20.531 5.915 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 63.187 20.081 4.985 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 40.648 59.535 -19.231 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 41.143 59.166 -18.499 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 39.782 59.718 -18.866 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 42.041 72.762 64.495 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 42.638 72.076 64.793 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 42.254 72.880 63.569 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 60.452 20.806 44.914 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 59.993 20.176 44.359 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 61.138 21.166 44.352 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 38.993 78.811 -11.533 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 38.074 79.018 -11.363 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 39.436 78.987 -10.702 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 80.711 48.137 50.653 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 81.081 48.145 51.536 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 80.797 49.041 50.349 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 41.325 72.629 28.439 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 41.877 73.255 28.907 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 41.939 72.107 27.922 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 21.350 9.661 48.609 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 20.881 9.320 47.848 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 22.223 9.272 48.547 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 65.487 93.209 12.443 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 66.297 93.581 12.094 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 65.771 92.445 12.945 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 35.950 42.874 34.530 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 36.511 42.229 34.960 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 36.559 43.508 34.151 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 49.872 65.363 -15.611 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 49.336 64.716 -16.070 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 49.248 65.857 -15.079 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 35.051 29.535 -11.192 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 35.759 30.175 -11.111 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 35.494 28.687 -11.212 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 34.551 56.740 6.664 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 35.317 57.299 6.531 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 34.645 56.414 7.560 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 49.124 25.711 -7.206 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 49.895 26.277 -7.165 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 49.170 25.184 -6.408 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 22.092 33.582 26.923 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 21.726 33.993 27.706 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 22.763 34.194 26.622 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 53.142 74.361 26.642 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 53.455 74.506 25.749 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 53.165 73.411 26.753 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 66.714 50.656 -15.219 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 66.222 50.891 -14.433 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 67.608 50.512 -14.908 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 35.830 11.392 42.627 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 36.203 11.880 43.362 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 36.091 11.889 41.852 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 30.272 77.804 0.610 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 30.655 76.994 0.274 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 30.345 77.729 1.561 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 44.119 42.532 38.083 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 44.109 43.107 37.318 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 45.047 42.417 38.285 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 37.708 96.286 -15.282 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 37.321 96.055 -14.437 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 38.362 96.953 -15.071 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 89.791 4.593 -5.985 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 89.355 5.437 -5.869 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 90.208 4.655 -6.844 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 84.552 21.027 63.443 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 85.483 20.816 63.525 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 84.529 21.792 62.868 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 43.350 50.151 25.390 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 43.899 50.370 24.637 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 43.725 49.339 25.733 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 55.917 55.264 20.733 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 55.707 54.908 21.597 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 55.852 54.514 20.142 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 83.150 24.109 32.375 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 84.081 24.249 32.548 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 82.959 24.674 31.626 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 34.554 78.194 45.211 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 33.795 78.203 45.795 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 34.829 77.277 45.190 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 34.629 8.936 59.142 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 35.372 8.629 59.661 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 34.165 9.540 59.721 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 72.434 44.026 25.809 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 72.500 43.171 25.383 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 71.644 44.418 25.437 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 69.433 1.320 36.710 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 69.656 1.581 35.816 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 69.172 0.402 36.634 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 29.413 42.835 58.235 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 30.207 43.188 58.635 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 29.669 42.629 57.336 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 24.218 34.743 -6.553 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 23.703 35.540 -6.680 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 24.701 34.637 -7.373 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 46.453 41.484 38.943 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 46.891 40.634 38.954 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 46.514 41.798 39.845 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 47.069 41.789 -5.146 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 48.025 41.836 -5.114 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 46.784 42.702 -5.142 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 26.432 68.877 -11.166 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 27.267 68.681 -11.591 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 26.463 68.390 -10.342 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 75.551 34.514 -9.234 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 76.075 34.714 -8.458 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 75.987 34.984 -9.945 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 43.565 7.371 35.528 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 43.122 6.970 36.276 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 43.723 8.275 35.799 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 24.807 24.402 0.978 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 24.087 24.637 1.564 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 25.137 25.241 0.655 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 40.752 15.770 25.276 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 39.937 15.491 24.858 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 40.698 15.421 26.165 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 39.959 73.525 -10.791 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 39.776 73.060 -9.975 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 39.784 74.444 -10.589 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 38.340 38.104 31.086 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 39.040 37.646 30.621 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 38.247 38.935 30.621 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 64.588 24.801 63.591 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 65.513 24.655 63.788 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 64.529 25.735 63.394 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 57.348 46.403 18.092 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 56.813 46.691 18.831 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 57.366 47.154 17.500 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 84.867 23.132 -9.428 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 84.287 22.416 -9.687 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 84.399 23.576 -8.720 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 32.340 51.057 45.480 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 33.224 51.205 45.144 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 32.472 50.748 46.376 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 40.610 17.925 10.128 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 41.456 18.365 10.040 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 40.818 17.085 10.537 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 81.015 61.123 9.422 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 80.544 61.092 10.255 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 81.920 61.318 9.665 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 34.937 31.423 64.050 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 34.167 31.725 64.532 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 34.882 31.870 63.205 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 69.579 0.925 50.596 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 68.731 0.934 51.039 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 69.497 0.237 49.935 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 85.498 30.995 -7.776 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 85.253 30.245 -7.234 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 86.444 31.079 -7.657 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 35.421 54.884 42.872 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 35.345 54.848 41.919 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 36.362 54.941 43.036 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 40.185 44.942 -5.641 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 39.963 45.455 -6.417 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 41.141 44.918 -5.633 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 57.271 62.947 45.199 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 57.299 63.658 45.839 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 56.449 62.491 45.382 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 80.888 60.794 -6.704 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 81.835 60.678 -6.618 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 80.685 61.535 -6.133 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 37.946 61.753 3.580 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 38.843 61.581 3.293 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 37.902 61.388 4.464 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 33.193 67.314 63.438 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 34.071 67.268 63.816 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 33.193 66.651 62.748 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 82.639 47.527 17.688 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 83.193 46.747 17.702 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 82.943 48.051 18.429 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 67.346 53.794 39.646 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 67.659 54.408 40.310 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 67.253 52.963 40.112 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 70.654 39.499 45.646 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 71.575 39.344 45.856 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 70.528 40.436 45.795 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 87.857 34.587 -18.386 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 88.143 35.072 -19.160 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 87.222 33.954 -18.721 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 56.922 83.955 55.109 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 57.786 84.091 54.721 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 56.330 84.473 54.564 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 33.005 56.689 4.443 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 33.411 56.727 5.309 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 33.703 56.941 3.839 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 83.984 41.968 -0.981 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 83.252 42.583 -0.950 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 84.416 42.066 -0.133 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 77.564 77.641 13.331 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 76.963 78.371 13.186 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 78.409 77.960 13.014 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 77.021 31.346 33.503 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 77.605 31.968 33.069 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 77.135 30.529 33.016 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 22.997 42.388 62.203 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 22.630 43.238 61.960 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 23.900 42.418 61.887 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 46.520 47.423 36.152 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 46.609 47.184 35.229 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 47.284 47.971 36.332 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 46.176 88.701 52.915 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 46.357 87.761 52.891 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 45.367 88.776 53.421 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 64.242 58.533 1.185 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 63.777 59.369 1.190 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 64.655 58.483 2.047 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 49.769 45.391 47.407 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 49.999 45.257 48.327 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 49.593 46.329 47.338 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 22.281 93.180 2.564 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 21.494 92.661 2.397 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 22.815 92.627 3.135 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 50.446 95.748 -14.740 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 49.540 95.585 -15.002 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 50.967 95.474 -15.495 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 83.025 21.672 46.508 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 83.145 22.490 46.026 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 82.668 21.942 47.354 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 66.455 34.864 64.540 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 66.627 34.698 63.613 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 67.324 34.944 64.934 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 90.301 59.521 65.859 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 90.797 60.248 65.484 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 90.281 59.703 66.798 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 30.152 10.775 2.395 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 29.700 11.211 3.117 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 31.081 10.931 2.564 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 62.918 83.059 64.543 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 62.630 82.376 65.148 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 62.481 82.850 63.718 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 56.374 11.375 25.466 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 56.689 11.100 26.327 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 55.537 10.923 25.361 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 34.453 2.478 -16.042 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 34.342 1.988 -15.227 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 35.400 2.581 -16.133 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 83.477 52.765 -10.977 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 82.736 52.398 -11.459 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 84.126 52.062 -10.963 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 81.323 81.901 52.576 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 80.880 81.123 52.914 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 81.854 81.578 51.848 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 75.208 69.774 48.940 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 75.403 69.577 49.856 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 75.987 69.490 48.461 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 28.899 60.135 8.484 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 29.632 60.631 8.848 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 29.271 59.677 7.730 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 74.610 91.489 47.808 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 74.096 92.116 48.317 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 74.926 91.992 47.057 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 56.494 25.375 34.971 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 56.596 24.431 35.099 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 57.354 25.670 34.672 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 39.453 42.098 19.527 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 40.042 42.669 20.019 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 40.002 41.362 19.256 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 45.509 94.728 -0.715 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 45.089 93.895 -0.500 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 45.277 95.308 0.010 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 29.782 47.829 38.448 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 29.283 48.023 39.241 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 29.968 46.891 38.505 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 21.219 24.610 13.672 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 20.420 25.117 13.815 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 21.062 24.138 12.855 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 51.669 5.929 26.829 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 51.323 5.685 27.688 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 51.386 6.835 26.705 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 86.169 12.303 -5.194 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 86.211 13.103 -4.670 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 85.709 12.564 -5.992 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 30.173 1.182 -19.636 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 30.089 1.200 -20.589 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 31.116 1.221 -19.477 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 35.028 46.443 21.961 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 35.376 47.318 21.789 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 35.420 45.892 21.283 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 74.068 42.871 58.850 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 73.243 42.588 58.456 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 73.993 43.823 58.906 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 90.233 1.510 1.474 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 90.313 2.157 2.175 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 90.317 0.665 1.916 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 54.292 21.131 -5.832 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 54.961 20.847 -6.455 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 54.074 20.341 -5.338 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 48.576 73.921 65.075 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 47.966 74.553 64.694 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 49.245 73.797 64.402 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 39.398 91.051 12.303 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 39.357 91.631 11.543 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 40.149 90.483 12.133 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 42.273 41.468 4.636 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 41.826 40.839 5.202 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 41.897 42.316 4.874 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 60.840 82.259 62.778 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 60.481 82.346 61.895 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 61.144 81.352 62.824 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 80.175 87.566 57.661 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 79.350 87.111 57.491 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 80.805 87.149 57.073 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 37.093 71.193 54.709 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 37.773 71.865 54.677 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 36.459 71.461 54.044 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 29.193 61.199 43.885 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 28.477 61.520 43.337 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 29.651 61.991 44.168 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 68.656 35.467 44.309 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 69.457 35.825 44.691 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 68.686 35.736 43.391 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 58.114 95.278 33.292 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 58.665 95.657 32.608 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 57.617 94.591 32.848 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 65.664 14.899 41.750 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 64.928 14.902 41.138 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 65.957 13.988 41.768 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 39.806 52.293 62.268 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 39.943 53.074 61.731 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 39.190 51.760 61.764 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 59.597 58.397 16.610 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 59.595 57.572 16.124 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 58.680 58.669 16.625 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 83.180 32.440 28.484 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 83.435 33.004 29.215 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 82.227 32.517 28.443 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 44.505 53.177 63.633 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 44.825 54.079 63.631 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 44.637 52.877 64.533 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 89.182 31.835 66.025 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 88.516 32.281 66.548 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 89.820 32.517 65.816 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 57.476 69.529 21.887 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 58.125 68.838 21.757 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 57.884 70.126 22.514 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 31.967 40.289 6.049 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 32.721 40.824 6.297 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 31.550 40.776 5.339 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 26.823 86.542 25.317 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 27.637 87.041 25.387 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 26.174 87.076 25.774 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 66.002 45.366 49.669 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 65.073 45.597 49.646 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 66.214 45.135 48.764 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 82.373 80.041 -7.204 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 81.464 80.185 -7.467 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 82.317 79.778 -6.285 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 39.987 92.983 61.141 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 39.758 92.054 61.149 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 40.168 93.179 60.222 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 28.291 75.594 16.063 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 27.801 75.164 15.362 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 29.110 75.869 15.650 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 69.730 43.071 -5.816 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 69.034 42.414 -5.847 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 69.656 43.458 -4.944 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 88.342 60.557 53.364 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 87.880 59.718 53.361 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 87.906 61.068 54.046 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 61.123 28.324 42.795 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 60.419 27.970 42.252 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 60.675 28.863 43.447 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 86.607 79.450 19.537 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 87.551 79.296 19.504 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 86.232 78.769 18.979 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 56.059 89.707 20.546 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 55.388 89.452 21.180 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 55.713 90.499 20.135 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 81.018 76.394 10.129 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 81.153 75.797 10.865 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 80.813 75.821 9.390 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 80.602 40.917 -11.927 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 79.771 40.445 -11.866 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 80.795 41.180 -11.027 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 32.956 64.441 56.268 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 32.328 64.058 55.655 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 33.738 64.603 55.741 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 52.081 84.450 42.735 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 52.350 85.361 42.618 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 51.255 84.381 42.255 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 38.745 13.987 23.914 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 39.260 13.335 23.438 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 38.667 14.722 23.305 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 43.510 12.314 6.082 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 43.579 11.898 6.942 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 43.333 13.235 6.275 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 67.206 58.737 1.185 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 67.691 59.194 1.872 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 66.573 58.196 1.657 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 74.183 66.709 -5.252 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 73.417 66.227 -5.562 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 74.664 66.933 -6.049 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 52.081 65.879 -9.455 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 52.741 66.345 -8.942 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 51.560 65.408 -8.804 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 84.318 57.767 -10.774 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 84.973 57.343 -11.328 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 84.014 57.073 -10.188 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 36.072 72.862 35.293 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 36.564 73.683 35.287 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 36.535 72.310 35.923 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 74.843 50.338 5.612 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 75.796 50.425 5.582 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 74.598 50.683 6.471 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 38.188 25.221 23.510 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 38.105 25.547 22.614 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 37.327 24.856 23.714 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 22.077 66.859 -0.243 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 21.511 66.524 -0.939 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 22.895 67.082 -0.686 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 65.413 59.501 -19.363 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 65.149 59.111 -18.529 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 64.698 60.098 -19.585 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 56.517 47.801 -0.523 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 55.821 47.512 0.067 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 56.388 48.747 -0.600 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 45.822 6.263 7.301 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 45.067 6.486 7.846 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 46.091 5.397 7.605 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 86.435 43.652 36.543 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 85.534 43.850 36.286 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 86.379 43.455 37.478 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 50.026 37.423 54.642 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 50.352 38.021 53.970 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 49.381 37.936 55.129 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 80.027 57.823 -1.068 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 79.167 58.135 -1.351 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 80.112 58.137 -0.168 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 59.835 39.165 -17.511 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 59.111 38.912 -18.084 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 59.658 38.713 -16.686 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 64.585 30.168 11.545 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 64.698 31.041 11.170 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 63.808 29.818 11.108 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 23.033 14.580 45.190 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 23.851 15.070 45.104 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 23.037 13.974 44.449 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 89.586 67.819 45.689 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 89.880 66.953 45.408 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 90.347 68.385 45.558 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 28.318 49.605 -19.376 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 29.076 49.142 -19.019 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 27.884 49.981 -18.610 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 59.721 46.383 56.030 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 58.929 46.112 55.567 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 59.408 46.973 56.716 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 80.108 82.589 13.631 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 80.821 82.673 14.264 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 80.048 83.452 13.221 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 48.455 60.569 4.126 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 48.619 61.510 4.065 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 49.172 60.234 4.665 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 24.571 54.172 37.475 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 24.901 53.321 37.188 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 23.946 54.429 36.797 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 26.026 47.560 46.003 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 25.610 46.731 45.764 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 26.187 47.485 46.944 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 86.482 46.598 60.679 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 85.645 46.467 61.124 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 86.446 47.499 60.358 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 68.839 10.519 65.169 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 69.144 10.733 66.050 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 68.037 10.016 65.308 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 46.609 70.782 -4.480 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 46.905 70.733 -3.571 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 47.385 71.052 -4.971 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 33.671 2.578 16.817 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 32.737 2.771 16.743 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 33.804 2.384 17.745 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 88.800 55.877 45.632 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 87.849 55.982 45.607 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 88.943 55.119 46.198 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 25.324 7.476 59.054 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 26.137 7.975 59.126 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 24.638 8.099 59.295 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 42.654 52.715 37.056 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 42.393 52.745 36.136 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 43.603 52.593 37.032 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 61.702 47.444 46.928 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 60.983 47.287 46.316 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 62.429 47.731 46.375 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 89.544 82.238 2.535 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 89.493 81.511 1.914 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 90.424 82.595 2.415 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 78.377 68.752 50.629 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 78.504 67.986 50.070 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 78.968 69.413 50.268 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 36.528 88.170 56.066 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 36.143 89.009 56.320 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 37.024 88.365 55.271 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 33.605 2.281 33.048 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 33.152 2.269 33.891 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 34.127 1.479 33.044 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 71.987 5.295 57.979 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 72.312 4.655 57.345 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 71.922 6.111 57.484 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 34.939 57.099 2.493 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 35.797 56.681 2.418 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 35.098 58.016 2.268 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 67.516 92.738 49.494 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 67.870 91.897 49.784 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 67.663 93.328 50.234 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 69.000 87.891 39.198 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 69.302 87.131 39.695 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 68.050 87.895 39.317 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 41.788 26.026 -19.067 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 42.548 26.326 -19.565 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 41.425 25.312 -19.591 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 50.596 51.796 0.539 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 50.668 51.289 1.348 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 51.122 52.579 0.698 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 59.389 82.530 6.205 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 59.464 81.731 6.727 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 58.814 82.289 5.478 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 66.426 95.273 39.877 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 66.470 94.317 39.842 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 65.667 95.498 39.338 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 37.251 5.201 41.326 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 37.546 5.284 40.419 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 37.562 5.999 41.753 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 51.954 82.535 32.995 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 52.526 82.468 32.231 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 51.812 81.629 33.269 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 76.532 25.199 -6.656 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 75.671 25.051 -7.048 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 76.840 26.013 -7.055 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 89.090 88.809 45.050 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 89.494 88.304 45.755 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 88.438 88.218 44.674 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 24.606 47.757 37.717 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 23.992 48.392 37.348 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 24.960 47.296 36.957 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 69.245 43.210 55.875 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 69.343 44.162 55.851 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 68.392 43.066 56.284 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 21.509 93.825 10.394 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 20.833 93.723 11.063 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 21.300 94.656 9.966 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 65.269 15.842 12.701 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 64.566 16.220 13.229 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 65.845 15.419 13.337 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 28.046 51.363 40.847 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 27.737 52.012 40.215 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 28.999 51.455 40.838 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 41.181 42.852 31.325 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 41.645 42.793 30.491 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 41.433 43.704 31.681 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 58.453 78.616 58.994 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 57.974 79.427 58.824 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 57.944 78.175 59.674 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 85.997 36.068 59.610 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 85.408 36.822 59.575 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 86.053 35.764 58.705 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 77.862 73.005 43.471 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 78.660 73.235 43.948 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 78.117 73.033 42.549 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 89.458 57.428 61.451 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 90.297 57.810 61.195 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 89.620 56.484 61.471 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 59.673 25.672 53.886 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 59.860 26.565 53.599 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 59.758 25.142 53.094 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 71.937 3.340 -11.082 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 71.474 2.881 -10.382 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 72.802 2.930 -11.108 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 80.553 39.294 32.568 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 81.319 39.326 31.996 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 80.894 38.991 33.410 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 86.475 46.419 -18.501 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 85.981 47.182 -18.800 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 86.128 46.236 -17.628 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 36.229 63.287 -7.440 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 35.520 62.669 -7.616 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 36.738 63.306 -8.250 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 64.271 58.942 52.480 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 64.876 58.329 52.062 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 63.743 59.287 51.760 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 66.470 90.996 13.687 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 66.150 90.098 13.596 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 67.422 90.919 13.624 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 21.441 93.239 38.254 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 20.783 92.841 37.685 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 21.046 94.063 38.539 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 68.948 82.346 -6.895 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 69.690 81.996 -7.387 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 68.252 81.702 -7.018 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 83.308 44.347 -8.475 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 82.818 44.998 -7.973 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 84.222 44.622 -8.398 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 87.764 27.924 -1.570 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 88.389 28.648 -1.604 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 87.552 27.747 -2.487 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 82.721 78.434 37.295 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 83.140 78.100 38.088 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 83.365 79.032 36.917 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 51.701 8.795 24.544 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 50.990 9.175 25.061 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 51.393 8.844 23.639 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 72.192 28.861 60.125 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 72.200 28.017 59.674 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 71.286 29.161 60.058 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 31.237 25.685 0.074 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 30.850 25.967 -0.755 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 32.107 25.364 -0.164 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 77.173 90.179 65.399 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 77.701 90.973 65.320 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 76.956 89.944 64.497 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 32.563 18.489 1.874 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 32.048 19.003 2.495 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 33.452 18.504 2.228 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 76.707 5.727 42.414 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 76.379 6.612 42.255 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 76.743 5.325 41.546 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 69.454 5.676 14.544 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 69.697 5.253 13.721 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 70.017 5.264 15.200 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 37.816 72.455 -16.328 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 38.284 73.288 -16.270 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 37.681 72.320 -17.265 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 89.268 12.082 -13.260 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 88.527 12.472 -12.797 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 89.327 12.576 -14.078 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 39.019 56.879 34.033 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 39.153 57.218 33.148 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 39.833 57.083 34.495 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 83.632 57.905 -15.109 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 82.794 58.359 -15.201 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 83.995 58.235 -14.287 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 43.233 93.728 35.011 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 43.648 94.590 35.042 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 43.964 93.111 34.988 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 56.280 78.005 43.883 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 55.325 77.991 43.828 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 56.574 77.652 43.043 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 52.984 48.465 46.163 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 53.773 48.924 45.876 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 53.311 47.701 46.639 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 53.612 46.390 -6.436 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 52.754 46.499 -6.028 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 54.237 46.587 -5.738 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 45.337 64.305 54.726 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 45.460 63.806 53.919 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 45.367 65.221 54.449 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 89.570 89.121 4.239 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 89.940 89.286 5.106 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 88.811 88.562 4.406 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 31.454 50.124 34.190 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 30.944 49.558 33.610 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 31.458 50.975 33.751 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 25.509 20.128 16.565 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 25.905 20.345 17.408 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 25.502 20.955 16.083 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 66.968 37.836 64.264 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 66.476 37.089 64.606 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 67.510 38.122 64.999 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 63.655 18.581 -1.990 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 62.759 18.697 -1.675 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 63.776 17.632 -2.027 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 60.729 76.715 64.681 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 60.185 76.092 64.199 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 61.437 76.184 65.046 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 58.140 71.683 57.909 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 57.596 72.019 58.622 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 58.982 71.490 58.320 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 48.814 33.220 -9.929 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 47.953 33.585 -10.129 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 49.034 33.579 -9.069 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 55.953 30.863 40.072 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 55.967 31.713 40.513 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 56.029 31.074 39.142 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 34.523 92.943 39.418 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 34.586 92.378 40.188 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 35.240 92.658 38.852 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 42.289 54.615 18.631 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 41.340 54.516 18.704 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 42.413 55.506 18.302 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 38.921 30.975 33.296 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 39.606 30.503 32.824 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 39.300 31.836 33.471 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 61.833 5.027 58.295 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 62.693 4.776 57.957 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 61.694 4.453 59.049 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 71.279 14.130 -5.559 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 71.172 13.284 -5.123 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 71.107 14.776 -4.874 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 76.054 47.388 -4.103 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 76.809 46.902 -3.769 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 75.412 46.713 -4.323 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 53.003 80.735 -1.721 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 53.438 81.488 -2.121 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 53.615 80.010 -1.846 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 44.686 46.892 -5.380 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 44.348 47.189 -4.535 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 45.402 47.495 -5.578 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 56.099 67.850 58.217 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 55.302 68.367 58.100 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 56.576 68.299 58.915 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 32.314 26.948 59.672 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 33.123 27.397 59.426 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 31.661 27.646 59.730 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 29.829 32.117 10.063 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 30.777 32.173 9.943 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 29.464 32.395 9.224 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 47.156 17.078 19.396 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 46.539 17.793 19.548 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 47.162 16.965 18.445 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 32.313 17.072 -0.497 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 32.307 17.489 0.365 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 32.886 17.626 -1.027 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 42.299 23.960 33.016 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 42.804 23.406 33.611 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 41.438 24.034 33.429 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 88.778 93.585 64.234 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 89.224 93.944 65.001 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 88.352 94.341 63.828 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 21.794 65.603 24.665 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 22.169 64.728 24.564 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 20.849 65.471 24.587 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 74.976 74.381 15.032 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 74.766 73.940 14.209 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 74.130 74.672 15.371 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 85.194 72.411 22.860 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 84.261 72.199 22.841 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 85.631 71.593 22.624 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 65.979 33.795 39.455 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 65.256 33.169 39.515 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 65.796 34.297 38.661 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 42.152 19.440 40.152 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 41.621 18.650 40.246 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 42.440 19.429 39.239 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 67.107 66.845 58.345 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 66.594 67.644 58.463 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 66.457 66.168 58.155 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 86.917 11.663 55.412 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 87.571 12.324 55.183 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 86.950 11.615 56.367 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 84.715 39.332 -6.250 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 85.624 39.289 -6.545 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 84.225 38.843 -6.911 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 75.866 32.829 -3.447 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 76.628 33.401 -3.534 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 75.114 33.416 -3.523 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 32.834 6.816 -19.850 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 31.926 6.828 -19.549 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 33.077 7.739 -19.919 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 46.810 76.160 -16.821 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 46.244 76.842 -16.460 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 46.641 76.182 -17.763 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 56.074 19.260 -1.538 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 56.630 18.916 -2.237 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 56.233 20.204 -1.548 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 84.570 37.054 33.301 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 84.060 37.553 32.662 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 84.308 36.145 33.158 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 30.974 57.488 38.801 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 30.185 58.007 38.647 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 31.669 58.136 38.914 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 52.619 82.916 57.249 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 53.387 83.441 57.473 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 52.643 82.181 57.861 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 83.020 82.088 17.481 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 83.701 81.652 17.993 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 82.400 81.393 17.264 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 21.334 21.857 -13.145 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 20.753 22.497 -12.732 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 21.962 22.386 -13.636 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 46.425 26.927 -0.712 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 46.414 26.337 0.042 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 45.739 27.568 -0.524 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 70.706 88.828 49.341 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 71.414 88.851 49.985 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 70.652 87.910 49.076 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 45.001 2.176 63.805 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 44.657 1.620 64.504 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 45.103 3.037 64.210 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 79.687 92.361 -5.711 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 79.608 92.214 -6.654 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 80.333 91.717 -5.421 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 74.848 10.579 47.588 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 74.326 9.777 47.610 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 74.270 11.251 47.950 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 37.378 15.362 25.971 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 37.725 14.788 25.288 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 37.724 16.228 25.756 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 54.956 71.089 -1.991 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 55.161 71.931 -1.585 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 55.073 70.449 -1.289 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 60.240 95.831 -19.583 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 60.720 95.875 -18.756 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 59.540 95.199 -19.420 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 63.726 35.971 45.312 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 64.482 36.520 45.102 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 63.138 36.077 44.565 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 27.961 68.915 30.950 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 27.719 69.616 31.555 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 28.856 69.125 30.684 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 81.724 20.508 60.803 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 82.449 20.840 60.273 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 82.138 19.929 61.442 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 69.329 62.547 61.983 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 69.742 63.169 61.383 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 68.829 61.962 61.414 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 62.590 93.378 61.008 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 62.128 92.548 60.885 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 63.485 93.124 61.232 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 29.509 67.587 33.699 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 29.662 67.081 32.901 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 29.671 66.967 34.411 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 43.181 37.977 18.158 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 43.945 37.959 18.734 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 42.970 37.055 18.011 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 67.059 20.355 60.430 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 66.257 20.854 60.585 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 66.769 19.570 59.966 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 87.731 2.282 -0.282 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 88.313 1.746 0.257 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 87.563 3.061 0.249 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 32.346 23.422 38.846 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 31.789 23.256 38.086 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 32.827 22.604 38.973 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 46.568 28.555 63.150 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 46.052 29.345 63.310 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 46.809 28.609 62.226 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 20.432 5.033 -8.394 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 20.531 4.108 -8.620 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 20.065 5.435 -9.181 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 52.068 96.106 33.289 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 52.704 95.393 33.231 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 51.309 95.792 32.799 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 90.375 0.436 17.597 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 89.434 0.354 17.441 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 90.781 0.105 16.796 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 36.935 50.974 51.992 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 37.328 51.822 51.786 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 36.062 51.014 51.602 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 39.583 29.533 51.175 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 40.161 28.782 51.311 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 39.990 30.024 50.461 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 84.426 67.158 16.239 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 85.175 67.752 16.197 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 83.664 67.722 16.108 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 80.017 24.837 47.239 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 79.397 24.819 47.968 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 79.669 24.202 46.612 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 56.190 17.429 29.231 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 57.066 17.813 29.196 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 55.748 17.770 28.454 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 76.391 74.997 11.458 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 76.789 74.711 12.280 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 75.774 75.682 11.715 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 31.617 84.588 32.296 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 31.465 85.350 31.737 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 31.075 83.898 31.915 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 37.091 -0.066 51.795 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 37.439 0.760 52.132 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 36.195 0.142 51.530 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 43.516 39.248 0.144 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 44.297 39.768 -0.046 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 43.543 39.110 1.091 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 59.470 31.512 -3.377 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 59.778 31.748 -4.252 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 59.822 32.194 -2.806 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 72.940 57.520 -5.712 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 72.677 56.670 -5.360 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 73.897 57.494 -5.715 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 45.329 64.223 -3.371 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 45.374 63.318 -3.680 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 44.556 64.247 -2.808 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 26.627 51.776 32.867 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 27.134 51.520 33.638 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 27.275 51.848 32.167 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 61.133 88.659 63.777 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 60.815 88.601 64.678 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 61.234 87.749 63.500 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 58.673 96.943 53.169 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 59.560 96.919 52.809 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 58.319 96.072 52.992 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 42.405 53.321 2.939 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 43.075 53.766 2.420 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 42.666 53.473 3.848 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 21.599 49.152 2.221 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 22.422 48.997 2.684 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 21.799 49.856 1.605 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 87.683 63.362 -14.185 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 87.521 63.481 -15.121 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 87.819 64.249 -13.851 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 53.667 2.281 62.386 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 54.577 2.579 62.363 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 53.355 2.396 61.488 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 65.292 20.961 57.436 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 65.333 21.875 57.717 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 64.765 20.527 58.108 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 37.865 33.073 23.427 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 37.860 32.730 22.533 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 38.486 33.801 23.401 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 28.809 77.458 49.050 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 29.170 76.898 49.738 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 27.868 77.285 49.071 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 78.343 8.305 59.555 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 79.152 8.431 59.060 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 77.688 8.813 59.078 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 26.578 56.698 9.113 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 27.330 57.101 8.678 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 26.297 57.348 9.756 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 57.002 95.197 -14.669 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 56.860 95.178 -13.723 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 56.260 94.714 -15.033 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 52.612 91.985 28.218 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 52.833 92.910 28.103 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 51.657 91.958 28.159 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 79.653 81.722 47.336 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 79.196 81.281 46.621 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 80.001 82.522 46.942 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 88.341 77.940 -15.366 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 88.486 77.021 -15.590 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 88.817 78.428 -16.038 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 45.524 83.078 -12.365 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 44.906 83.101 -11.634 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 45.007 82.762 -13.106 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 83.125 0.805 52.458 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 83.753 1.507 52.286 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 82.307 1.259 52.657 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 43.189 84.139 10.953 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 44.140 84.200 11.049 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 43.043 83.279 10.559 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 42.610 28.933 25.751 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 42.001 29.027 26.484 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 42.446 29.700 25.203 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 44.136 74.582 -1.828 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 43.309 74.210 -1.523 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 44.779 73.887 -1.689 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 74.088 88.836 54.424 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 74.025 88.142 53.768 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 74.978 88.760 54.769 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 58.852 30.575 64.548 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 58.655 31.494 64.728 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 58.699 30.476 63.609 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 23.346 41.638 57.271 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 22.575 42.195 57.167 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 23.105 41.022 57.963 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 66.807 21.144 -12.503 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 66.020 21.650 -12.298 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 67.383 21.281 -11.751 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 79.797 28.767 5.258 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 79.062 28.188 5.460 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 80.493 28.487 5.853 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 24.807 69.092 5.830 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 24.992 69.606 6.616 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 25.661 68.974 5.413 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 52.462 4.302 16.122 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 52.492 5.238 15.924 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 53.338 4.097 16.448 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 32.303 19.209 26.282 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 32.319 20.094 25.918 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 32.744 18.671 25.625 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 24.807 3.924 56.672 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 25.606 4.293 57.048 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 25.116 3.279 56.035 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 76.968 35.310 20.659 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 76.239 35.927 20.718 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 77.591 35.611 21.321 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 84.505 96.906 49.847 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 84.920 96.174 50.303 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 83.569 96.790 50.008 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 71.999 93.860 38.852 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 71.696 94.030 39.744 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 71.874 92.918 38.732 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 55.272 32.904 -6.875 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 55.218 33.512 -7.613 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 55.413 33.465 -6.113 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 40.417 23.084 63.109 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 39.987 22.617 63.826 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 40.739 23.892 63.508 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 33.047 24.483 65.581 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 32.517 24.471 64.784 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 33.205 23.560 65.779 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 59.105 21.021 -16.729 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 59.121 20.166 -17.160 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 60.027 21.225 -16.567 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 80.850 23.877 -14.797 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 80.215 24.010 -15.500 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 80.373 24.097 -13.997 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 50.440 81.205 12.238 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 50.514 80.333 11.849 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 49.498 81.346 12.335 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 54.148 87.422 -8.809 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 54.397 86.507 -8.678 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 53.196 87.428 -8.714 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 35.665 26.050 27.844 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 36.403 25.657 27.380 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 35.744 26.988 27.671 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 76.694 75.749 23.868 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 77.079 74.898 23.659 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 77.026 75.954 24.743 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 43.953 96.214 11.327 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 44.476 95.452 11.575 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 43.558 95.972 10.490 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 30.661 25.819 28.713 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 29.947 25.916 28.083 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 31.455 25.818 28.179 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 36.397 35.286 -11.795 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 35.889 35.712 -12.485 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 35.809 35.270 -11.039 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 48.681 79.845 32.792 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 49.458 79.414 33.149 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 48.238 79.162 32.289 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 66.382 87.906 39.382 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 65.809 87.139 39.394 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 65.994 88.485 38.727 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 59.505 68.020 -8.157 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 60.293 68.156 -7.631 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 59.028 68.847 -8.093 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 63.751 74.222 20.049 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 63.419 73.445 19.598 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 63.527 74.078 20.969 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 37.497 15.983 46.031 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 38.397 16.061 45.716 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 36.966 16.385 45.343 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 45.087 20.206 29.355 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 44.317 19.882 28.888 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 45.247 19.553 30.036 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 75.163 95.565 59.817 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 74.518 95.181 59.224 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 75.501 96.326 59.345 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 82.736 65.150 37.727 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 82.576 65.986 38.166 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 81.862 64.802 37.548 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 35.302 24.723 20.923 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 34.891 24.456 21.744 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 35.243 23.949 20.362 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 59.767 50.070 62.853 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 59.283 50.841 62.557 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 59.982 50.258 63.767 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 66.196 32.891 52.120 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 66.231 33.309 51.260 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 66.007 33.606 52.727 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 79.665 84.855 12.326 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 79.401 84.843 11.406 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 80.524 85.278 12.323 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 40.093 76.299 23.737 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 40.871 75.742 23.695 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 39.382 75.742 23.421 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 87.930 59.365 47.850 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 88.545 58.632 47.881 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 87.843 59.643 48.762 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 25.216 78.374 -11.722 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 25.960 78.356 -11.119 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 25.207 79.267 -12.066 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 25.374 18.604 51.630 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 26.172 18.390 52.113 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 25.241 17.860 51.043 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 38.000 44.450 13.268 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 37.857 43.574 12.909 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 38.920 44.453 13.534 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 79.668 49.006 35.806 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 79.790 49.949 35.696 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 80.557 48.656 35.872 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 23.593 52.537 3.562 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 22.981 52.161 4.194 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 23.547 51.951 2.806 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 89.114 68.397 25.465 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 89.114 67.572 25.949 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 88.521 68.244 24.729 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 66.698 28.213 -12.411 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 66.765 27.622 -11.662 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 66.664 29.088 -12.025 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 43.712 39.075 9.492 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 44.485 38.526 9.622 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 43.583 39.512 10.334 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 85.362 66.923 58.631 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 85.407 66.190 58.017 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 86.102 66.786 59.223 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 84.803 87.824 10.515 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 85.540 87.506 11.037 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 84.525 88.627 10.956 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 48.632 39.887 55.510 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 49.361 40.489 55.362 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 47.855 40.445 55.506 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 49.463 8.101 -16.089 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 49.049 8.803 -16.590 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 50.220 8.515 -15.675 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 36.568 41.788 1.406 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 36.052 42.372 0.851 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 37.326 41.555 0.870 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 60.337 13.336 46.275 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 59.654 13.997 46.168 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 61.118 13.733 45.889 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 42.966 39.747 12.165 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 42.459 40.538 12.351 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 43.645 39.734 12.840 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 37.099 62.819 -10.215 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 36.522 62.161 -10.601 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 37.938 62.370 -10.110 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 89.573 26.834 21.195 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 88.627 26.802 21.336 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 89.671 27.154 20.298 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 27.298 44.655 -6.457 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 26.995 44.513 -5.560 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 27.488 45.592 -6.501 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 75.450 46.895 19.422 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 75.697 45.990 19.611 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 76.283 47.363 19.360 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 61.620 25.811 32.849 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 62.338 26.410 32.645 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 60.969 25.975 32.167 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 64.910 94.336 9.497 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 64.501 94.049 10.314 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 65.527 93.638 9.281 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 28.971 49.456 -4.065 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 28.518 49.325 -4.898 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 28.345 49.937 -3.524 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 21.365 88.618 -3.390 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 21.898 88.420 -4.161 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 20.475 88.372 -3.644 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 47.388 92.234 24.087 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 46.871 91.680 23.502 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 47.293 93.116 23.728 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 48.655 40.302 23.363 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 47.944 40.793 22.951 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 49.322 40.962 23.555 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 57.650 19.461 17.993 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 56.744 19.762 18.058 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 57.985 19.878 17.200 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 87.508 80.256 42.735 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 87.975 79.990 41.943 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 86.871 80.903 42.432 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 31.645 62.779 54.764 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 31.695 62.103 54.088 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 31.345 62.314 55.546 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 87.564 48.091 27.688 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 87.594 47.137 27.747 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 86.820 48.343 28.235 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 34.972 70.908 15.460 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 35.427 71.696 15.164 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 34.386 71.214 16.152 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 57.152 22.865 41.350 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 57.855 23.223 41.892 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 57.274 23.277 40.495 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 48.565 76.533 50.557 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 48.797 77.455 50.670 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 48.470 76.424 49.610 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 40.181 26.229 3.088 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 40.574 26.700 2.353 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 40.816 26.319 3.798 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 55.608 13.719 45.585 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 55.659 13.706 44.630 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 55.811 14.624 45.824 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 66.571 27.817 1.978 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 67.178 27.078 1.924 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 67.135 28.590 1.991 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 31.024 31.945 38.878 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 31.517 32.349 38.164 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 30.130 32.267 38.763 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 78.344 39.975 64.633 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 78.870 39.313 64.185 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 77.589 39.493 64.971 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 88.126 42.898 11.233 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 89.006 42.793 11.595 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 87.839 42.006 11.040 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 67.620 7.532 48.971 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 67.700 8.485 48.923 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 66.795 7.338 48.526 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 41.961 38.350 23.302 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 42.798 38.594 22.906 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 42.117 37.485 23.680 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 41.132 44.582 37.131 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 41.961 44.788 36.701 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 41.085 45.191 37.868 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 67.148 81.675 21.585 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 67.229 82.082 20.722 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 66.825 80.792 21.404 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 57.592 24.328 -8.052 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 57.664 24.123 -8.985 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 56.719 24.021 -7.806 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 63.269 79.858 -6.744 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 63.811 80.102 -7.495 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 63.674 79.060 -6.405 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 37.592 68.323 -0.551 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 37.796 68.805 0.250 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 36.874 67.740 -0.305 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 55.151 45.923 19.866 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 54.424 46.244 19.332 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 55.284 45.021 19.573 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 23.545 72.616 -8.859 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 23.075 71.835 -8.566 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 23.759 73.084 -8.051 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 58.103 17.437 9.166 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 57.610 17.101 8.417 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 58.926 16.949 9.151 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 35.448 78.001 36.857 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 36.308 78.248 37.198 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 35.631 77.304 36.227 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 75.725 10.943 -15.693 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 76.403 10.440 -15.242 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 75.009 11.000 -15.060 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 41.535 11.131 57.380 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 41.433 10.789 56.491 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 40.763 10.814 57.849 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 88.564 72.074 59.918 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 88.786 71.468 60.625 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 89.403 72.448 59.650 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 39.312 10.661 -9.166 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 39.615 11.216 -9.885 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 38.569 11.136 -8.793 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 27.669 87.050 22.473 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 27.371 87.021 23.382 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 28.613 86.902 22.525 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 51.926 54.419 53.113 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 51.138 54.061 52.705 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 51.777 55.365 53.133 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 83.685 42.643 53.825 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 83.575 42.756 52.881 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 82.986 43.170 54.212 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 36.293 84.379 44.199 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 36.099 84.542 45.122 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 37.233 84.540 44.119 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 41.548 20.177 60.229 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 42.041 20.308 59.420 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 41.950 19.409 60.634 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 89.430 82.673 21.904 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 88.917 83.481 21.877 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 88.779 81.973 21.843 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 36.863 47.236 36.050 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 37.221 48.082 35.779 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 37.533 46.600 35.798 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 26.674 41.615 41.255 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 25.718 41.572 41.294 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 26.960 40.709 41.367 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 49.353 94.511 47.032 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 50.194 94.720 46.627 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 49.501 93.677 47.478 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 75.311 33.801 50.132 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 74.837 33.566 49.334 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 75.920 34.487 49.856 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 28.259 55.310 66.519 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 28.456 55.966 65.850 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 27.756 55.785 67.180 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 33.104 46.777 9.226 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 33.417 46.155 8.569 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 33.887 47.260 9.491 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 53.815 77.503 17.574 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 53.963 76.562 17.481 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 53.335 77.750 16.783 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 88.519 44.318 17.053 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 89.437 44.254 16.789 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 88.042 43.831 16.381 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 68.613 47.955 31.951 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 68.186 48.374 31.204 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 67.917 47.854 32.601 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 38.365 29.393 61.030 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 39.134 28.853 61.209 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 37.984 29.563 61.892 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 39.083 89.387 4.765 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 38.692 90.198 4.442 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 39.012 89.448 5.717 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 34.726 17.711 16.955 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 35.129 17.505 16.111 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 34.641 18.664 16.955 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 77.029 36.969 32.195 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 77.718 36.988 31.530 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 77.415 36.487 32.927 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 73.119 81.005 34.371 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 73.882 80.470 34.588 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 72.440 80.713 34.980 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 61.660 32.020 28.482 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 62.554 31.772 28.248 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 61.538 32.882 28.085 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 58.863 41.237 -12.899 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 58.018 40.790 -12.842 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 58.705 41.975 -13.487 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 60.436 62.865 56.421 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 60.534 62.005 56.013 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 59.853 62.713 57.165 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 84.663 45.170 18.697 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 85.135 44.536 19.237 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 85.019 46.019 18.959 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 25.505 44.411 9.153 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 26.127 44.678 9.831 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 24.647 44.634 9.514 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 40.088 58.841 0.112 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 39.702 58.679 0.972 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 41.028 58.714 0.243 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 36.651 37.118 -15.633 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 36.936 36.687 -16.439 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 37.416 37.616 -15.343 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 30.746 64.385 10.669 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 30.249 63.642 10.327 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 31.560 64.000 10.994 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 26.475 31.674 11.928 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 27.266 32.173 11.728 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 26.540 31.486 12.865 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 68.895 76.261 -7.478 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 69.337 75.782 -8.179 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 69.296 77.130 -7.492 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 30.262 43.936 20.566 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 30.327 43.745 19.631 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 31.036 44.467 20.757 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 62.699 3.294 60.055 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 62.734 2.581 59.417 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 63.519 3.221 60.542 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 47.256 42.613 56.778 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 47.060 43.392 56.257 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 46.400 42.303 57.076 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 43.798 14.886 42.321 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 42.876 14.641 42.410 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 44.124 14.338 41.608 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 86.310 62.535 1.469 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 85.928 61.877 2.050 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 87.161 62.171 1.223 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 84.631 29.366 16.120 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 84.037 29.153 16.840 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 84.176 29.059 15.335 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 61.187 53.694 34.361 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 60.270 53.584 34.108 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 61.225 54.567 34.752 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 62.384 84.406 13.216 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 62.828 83.611 12.920 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 61.694 84.092 13.800 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 29.408 66.833 -10.653 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 29.057 66.870 -11.543 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 30.283 66.459 -10.755 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 26.819 86.929 0.782 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 27.671 86.515 0.642 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 26.589 86.705 1.684 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 68.431 38.239 45.813 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 67.835 38.684 45.209 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 69.201 38.807 45.852 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 27.012 52.544 0.487 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 27.946 52.593 0.692 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 26.605 53.185 1.071 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 84.091 25.817 7.291 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 84.803 26.455 7.343 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 84.383 25.087 7.837 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 48.541 72.055 0.868 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 49.263 72.241 0.268 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 48.724 71.176 1.200 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 43.848 56.288 13.425 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 44.549 56.767 12.982 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 44.032 56.402 14.358 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 85.500 64.425 24.603 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 86.195 65.050 24.810 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 85.960 63.603 24.432 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 65.437 57.632 57.230 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 65.546 58.295 56.549 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 65.331 56.810 56.750 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 37.426 92.020 -15.617 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 37.739 91.827 -16.501 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 37.023 92.885 -15.689 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 54.092 55.169 62.411 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 54.931 54.714 62.488 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 53.581 54.628 61.810 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 54.220 28.413 5.676 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 55.009 28.713 5.224 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 54.376 28.623 6.597 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 61.862 69.551 47.685 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 61.656 68.953 46.967 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 61.936 68.987 48.455 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 33.017 15.706 8.854 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 33.466 15.558 9.687 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 33.710 15.986 8.256 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 41.983 54.923 -10.427 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 42.674 55.385 -9.952 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 41.195 55.064 -9.902 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 28.873 38.063 60.042 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 28.001 37.935 60.416 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 28.918 37.437 59.319 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 37.882 64.020 39.758 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 37.515 64.896 39.882 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 38.784 64.092 40.071 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 35.618 85.816 26.098 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 35.876 84.929 26.348 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 35.112 85.702 25.294 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 55.724 18.155 -15.847 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 56.011 18.821 -16.472 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 56.109 18.426 -15.014 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 62.240 76.323 41.523 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 62.279 76.651 40.625 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 62.885 75.617 41.549 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 72.861 77.155 -17.847 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 72.278 76.505 -17.455 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 72.351 77.965 -17.847 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 57.467 66.530 -12.360 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 56.913 65.784 -12.126 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 57.157 67.242 -11.801 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 61.646 43.864 59.080 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 62.398 43.275 59.136 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 61.917 44.645 59.562 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 56.331 15.376 35.132 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 56.148 16.209 35.566 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 56.040 15.506 34.230 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 64.549 44.828 35.278 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 63.996 45.490 34.863 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 65.079 44.476 34.562 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 71.398 46.550 37.656 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 71.556 45.771 37.124 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 71.488 47.281 37.044 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 56.250 94.723 59.259 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 56.215 95.000 58.343 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 56.943 94.063 59.283 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 83.156 64.848 60.673 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 83.642 64.220 61.208 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 82.849 64.337 59.924 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 32.205 87.434 -12.928 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 32.079 88.380 -12.853 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 32.912 87.237 -12.313 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 84.404 21.344 10.125 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 84.032 22.133 9.731 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 83.658 20.754 10.231 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 70.539 20.622 45.072 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 70.730 19.715 44.833 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 69.594 20.635 45.228 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 28.940 59.799 -14.483 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 28.914 59.925 -13.534 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 29.044 58.854 -14.596 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 79.696 61.939 -9.458 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 79.106 61.467 -10.045 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 79.168 62.115 -8.679 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 27.287 50.714 3.975 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 27.945 50.714 4.670 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 26.816 51.540 4.091 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 24.163 36.523 15.092 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 24.433 36.109 15.912 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 24.825 37.195 14.933 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 87.551 68.909 -19.708 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 87.631 69.847 -19.883 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 88.228 68.729 -19.055 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 62.167 91.304 65.774 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 62.044 91.875 66.532 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 63.101 91.092 65.783 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 42.490 50.344 10.862 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 43.114 50.065 11.532 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 42.272 51.246 11.098 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 72.220 87.875 8.806 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 72.699 88.633 9.140 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 72.110 87.306 9.568 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 26.705 81.534 18.791 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 27.119 82.316 19.156 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 25.801 81.798 18.622 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 67.223 30.619 -15.549 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 67.522 31.138 -14.802 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 66.281 30.787 -15.597 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 68.260 32.253 43.425 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 69.151 32.463 43.146 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 67.767 33.060 43.281 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 70.045 45.695 10.520 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 70.365 45.897 11.400 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 69.162 46.065 10.495 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 81.605 66.255 47.719 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 81.498 65.798 46.884 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 82.283 65.760 48.179 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 45.660 80.368 -7.722 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 45.241 80.102 -8.540 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 45.124 79.970 -7.036 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 90.256 89.499 6.856 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 90.406 89.099 7.713 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 89.567 90.145 7.010 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 21.724 34.981 46.095 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 21.372 34.235 45.610 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 22.160 35.515 45.431 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 57.087 44.624 45.155 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 57.024 45.098 45.985 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 58.015 44.662 44.927 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 27.727 82.276 -4.160 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 28.060 81.399 -3.968 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 26.964 82.126 -4.718 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 30.058 85.694 -7.401 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 29.423 86.404 -7.492 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 29.537 84.895 -7.480 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 27.096 56.855 58.186 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 27.165 56.411 57.341 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 26.820 56.170 58.795 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 39.667 16.664 7.478 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 39.719 15.710 7.424 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 40.462 16.922 7.944 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 86.878 55.639 58.082 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 86.656 54.904 57.511 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 87.765 55.447 58.385 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 70.686 94.114 8.939 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 69.743 94.096 9.104 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 70.822 94.897 8.407 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 78.032 35.270 -10.799 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 78.578 35.825 -11.356 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 78.530 34.457 -10.709 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 79.156 85.555 -8.618 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 80.014 85.715 -8.226 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 79.194 84.647 -8.918 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 67.939 94.508 8.676 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 67.705 93.581 8.726 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 68.033 94.681 7.740 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 43.876 33.132 8.151 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 43.094 32.726 8.524 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 44.198 33.712 8.842 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 34.244 69.017 66.550 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 34.567 68.201 66.932 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 34.957 69.317 65.987 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 61.549 53.019 25.594 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 61.018 52.328 25.196 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 60.910 53.636 25.951 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 47.449 45.339 24.087 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 47.238 45.656 23.209 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 46.679 45.559 24.613 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 30.322 27.557 -2.110 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 29.425 27.592 -2.442 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 30.751 28.321 -2.495 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 76.592 61.098 38.647 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 76.071 61.866 38.411 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 76.023 60.591 39.225 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 40.458 4.300 31.524 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 40.892 4.664 32.295 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 41.154 4.223 30.871 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 25.760 14.224 40.708 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 26.672 14.154 40.424 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 25.466 13.317 40.794 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 51.249 12.052 -6.560 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 52.152 12.125 -6.869 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 51.311 12.153 -5.611 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 33.035 80.995 -14.959 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 33.569 81.789 -14.938 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 32.552 81.010 -14.133 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 48.857 90.380 34.510 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 49.029 89.449 34.652 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 48.646 90.446 33.578 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 34.636 12.025 -18.594 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 34.454 11.117 -18.838 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 33.774 12.438 -18.549 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 77.852 18.691 7.312 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 77.483 18.442 6.464 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 78.518 19.345 7.100 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 76.118 16.203 -8.309 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 75.251 16.380 -7.945 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 76.698 16.815 -7.855 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 57.311 52.586 -10.821 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 56.478 52.352 -10.413 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 57.721 51.746 -11.029 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 30.466 78.773 17.041 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 30.342 78.017 17.615 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 30.230 79.526 17.583 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 28.793 33.834 17.806 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 29.044 34.700 18.127 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 29.620 33.419 17.562 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 52.901 54.948 -16.233 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 52.236 54.893 -16.919 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 52.610 55.668 -15.674 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 48.073 3.312 58.507 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 47.818 4.150 58.120 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 47.291 2.765 58.429 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 77.656 56.384 -9.751 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 78.406 55.895 -10.088 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 77.080 56.492 -10.508 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 42.005 53.121 12.256 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 41.822 53.738 12.966 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 42.749 53.504 11.791 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 69.366 80.641 53.690 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 70.222 80.507 54.097 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 68.841 79.896 53.984 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 31.375 55.757 -6.147 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 31.297 56.119 -5.264 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 30.941 54.905 -6.097 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 68.462 38.566 20.779 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 67.868 38.314 20.072 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 68.943 39.317 20.433 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 86.603 0.700 37.742 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 87.301 0.095 37.490 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 86.758 1.481 37.211 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 77.057 65.815 4.071 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 76.808 65.942 3.156 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 76.661 64.978 4.314 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 41.734 86.418 10.125 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 41.423 86.303 9.227 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 42.272 85.644 10.293 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 60.927 79.268 -5.384 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 61.866 79.377 -5.529 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 60.865 78.797 -4.553 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 47.973 83.115 24.380 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 48.275 83.335 23.499 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 47.315 83.780 24.582 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 34.883 95.388 59.062 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 34.773 95.955 58.299 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 34.746 95.966 59.812 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 63.714 87.771 15.283 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 64.289 87.346 15.920 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 64.183 87.702 14.452 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 83.534 27.142 47.335 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 83.566 28.083 47.164 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 82.939 26.797 46.669 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 54.933 89.820 11.381 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 55.519 89.139 11.710 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 54.276 89.346 10.871 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 39.471 79.011 56.727 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 39.530 79.599 55.974 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 38.650 79.251 57.156 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 34.320 34.475 54.088 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 33.517 34.056 53.778 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 35.003 33.820 53.943 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 75.176 56.625 54.695 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 75.202 57.531 55.002 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 75.273 56.690 53.745 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 28.991 55.674 -1.162 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 28.769 56.605 -1.134 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 29.171 55.442 -0.251 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 60.928 48.062 -7.182 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 60.731 48.924 -7.548 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 60.168 47.852 -6.639 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 25.647 6.086 32.673 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 25.140 6.579 32.028 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 26.552 6.151 32.367 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 20.454 51.301 24.932 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 19.902 51.832 24.358 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 21.332 51.670 24.829 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 24.036 43.376 2.517 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 23.840 43.882 3.305 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 23.942 44.003 1.800 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 29.630 63.647 63.861 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 29.511 63.059 64.607 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 29.636 64.524 64.245 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 27.972 28.405 -7.972 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 28.189 29.319 -8.155 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 27.405 28.143 -8.697 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 88.793 19.088 8.649 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 89.518 19.688 8.823 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 88.019 19.650 8.608 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 25.514 35.427 60.373 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 25.521 36.061 61.090 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 26.153 35.766 59.747 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 34.258 42.453 36.346 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 34.819 42.703 35.612 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 33.775 41.690 36.030 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 30.912 13.113 -18.667 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 31.520 13.099 -19.407 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 31.189 13.865 -18.144 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 39.358 26.777 -11.974 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 39.056 25.898 -11.747 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 40.183 26.877 -11.498 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 29.835 92.925 11.487 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 30.745 92.717 11.697 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 29.704 93.809 11.831 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 79.673 92.936 56.993 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 79.429 93.839 57.195 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 80.222 93.006 56.212 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 90.196 67.794 -5.374 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 90.725 67.216 -5.924 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 89.308 67.445 -5.443 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 86.136 58.807 61.553 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 87.026 58.606 61.262 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 86.234 59.049 62.474 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 45.799 9.995 30.368 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 46.061 9.863 29.457 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 45.659 9.111 30.709 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 62.742 95.417 -0.816 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 62.438 95.168 0.057 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 61.940 95.599 -1.306 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 41.201 68.057 12.059 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 41.813 68.772 12.232 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 41.743 67.359 11.693 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 24.167 69.651 36.115 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 23.831 70.511 35.862 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 24.273 69.182 35.287 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 44.865 61.248 -3.628 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 44.049 60.902 -3.267 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 45.551 60.725 -3.213 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 37.516 33.411 26.767 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 37.645 33.742 27.655 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 36.839 32.740 26.857 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 43.542 50.686 7.160 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 42.962 51.447 7.128 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 44.422 51.052 7.079 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 47.564 96.206 16.716 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 47.536 95.372 17.184 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 48.375 96.620 17.011 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 54.469 39.117 21.414 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 53.908 39.883 21.298 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 55.343 39.479 21.560 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 29.941 49.320 53.318 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 29.967 48.935 54.194 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 29.532 48.649 52.772 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 35.167 72.965 -9.517 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 35.083 72.456 -10.323 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 35.939 72.600 -9.083 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 68.348 68.379 30.883 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 67.695 68.883 31.367 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 68.099 68.481 29.964 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 83.564 35.144 37.634 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 83.999 34.859 38.437 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 84.243 35.089 36.961 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 79.803 66.591 25.000 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 80.550 66.683 25.592 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 79.700 67.457 24.607 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 36.918 80.156 13.260 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 37.163 81.058 13.468 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 37.614 79.846 12.682 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 52.453 18.927 6.508 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 52.171 18.356 5.794 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 51.789 19.616 6.541 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 24.588 53.272 30.736 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 24.782 54.208 30.773 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 25.156 52.937 30.041 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 38.312 38.788 59.032 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 38.582 39.294 58.265 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 37.357 38.756 58.974 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 47.627 15.780 -15.893 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 47.564 16.725 -15.752 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 48.440 15.526 -15.457 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 28.345 43.454 7.790 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 29.110 42.938 8.043 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 28.159 43.998 8.556 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 71.318 71.108 2.146 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 71.461 70.713 3.005 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 70.436 71.476 2.194 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 50.197 85.902 38.486 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 49.386 85.399 38.403 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 50.892 85.261 38.336 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 68.868 74.030 36.423 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 68.107 73.793 35.894 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 68.862 74.987 36.436 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 60.420 85.376 11.737 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 59.599 84.888 11.799 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 61.031 84.888 12.289 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 40.116 56.381 66.942 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 40.785 56.918 67.367 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 40.527 56.085 66.129 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 20.372 42.372 12.054 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 20.796 41.623 12.474 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 20.734 42.388 11.168 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 27.857 42.624 34.001 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 28.492 42.271 33.378 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 27.004 42.419 33.617 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 65.825 38.287 48.467 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 65.263 38.925 48.907 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 65.615 37.452 48.886 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 22.512 35.081 48.755 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 22.894 35.922 49.003 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 22.302 35.177 47.827 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 84.198 62.770 42.936 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 84.819 62.086 43.186 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 84.187 62.747 41.979 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 86.592 61.448 43.993 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 86.908 61.651 43.113 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 87.094 60.676 44.256 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 37.552 75.639 12.791 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 37.410 74.884 13.362 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 37.071 76.352 13.212 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 55.403 86.115 21.366 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 56.180 86.385 20.876 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 55.750 85.675 22.142 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 32.740 6.016 59.381 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 32.354 6.742 59.872 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 33.254 6.438 58.692 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 39.664 79.334 -9.004 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 40.006 78.993 -8.178 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 39.163 80.110 -8.754 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 38.851 24.255 -4.915 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 38.575 24.009 -4.032 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 38.804 25.211 -4.923 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 63.425 6.523 2.574 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 62.855 6.046 3.177 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 62.824 6.999 2.001 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 55.674 45.619 -8.105 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 55.144 45.902 -7.360 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 55.217 44.850 -8.446 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 78.764 43.109 46.251 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 78.622 44.031 46.468 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 78.316 42.988 45.414 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 67.723 38.757 54.901 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 67.232 38.173 55.479 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 67.486 38.474 54.017 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 23.514 33.338 38.763 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 24.279 32.802 38.554 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 23.110 33.521 37.915 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 55.006 23.235 0.564 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 55.452 22.887 1.335 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 54.076 23.094 0.740 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 49.485 16.440 14.900 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 48.695 16.973 14.989 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 50.204 17.071 14.913 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 77.482 44.837 -17.868 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 76.843 44.917 -18.575 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 78.040 45.610 -17.961 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 65.901 42.472 43.249 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 65.813 42.836 44.130 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 65.566 43.158 42.671 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 40.562 41.439 34.588 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 40.766 42.311 34.251 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 41.369 40.939 34.464 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 32.967 41.936 -10.345 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 33.674 42.559 -10.170 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 32.484 41.884 -9.520 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 40.304 8.428 2.429 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 41.137 8.427 2.901 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 40.308 9.250 1.938 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 37.727 1.955 6.860 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 38.452 2.557 6.695 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 37.066 2.490 7.300 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 29.676 2.768 0.727 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 30.633 2.778 0.733 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 29.443 1.916 1.097 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 85.755 83.597 12.063 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 86.529 83.885 12.547 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 86.053 82.837 11.564 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 32.696 56.909 19.753 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 33.373 56.941 19.076 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 33.181 56.928 20.578 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 20.686 16.304 -17.664 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 20.153 16.283 -16.869 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 21.236 17.081 -17.564 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 36.006 88.851 60.835 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 35.541 88.396 61.537 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 35.427 88.776 60.076 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 80.839 34.532 0.024 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 80.350 35.331 0.222 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 80.648 33.946 0.756 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 81.559 53.815 53.307 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 80.927 53.904 52.593 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 82.412 53.919 52.886 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 90.297 67.520 52.120 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 91.081 67.060 51.819 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 89.663 67.402 51.413 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 33.657 92.043 6.030 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 33.489 91.690 6.904 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 32.796 92.311 5.710 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 82.256 10.537 7.746 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 82.419 10.290 6.835 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 82.193 11.492 7.727 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 86.970 48.991 -5.819 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 87.332 49.099 -4.940 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 86.340 48.275 -5.732 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 32.541 16.139 33.131 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 32.208 16.881 32.627 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 32.122 15.374 32.737 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 88.541 25.013 -2.038 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 87.870 24.858 -2.703 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 88.349 25.888 -1.703 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 38.535 63.122 9.178 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 39.404 63.507 9.071 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 38.703 62.225 9.465 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 40.509 17.374 56.553 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 40.067 17.678 57.346 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 41.318 16.972 56.868 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 56.233 92.107 -12.606 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 56.173 91.895 -11.675 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 55.338 92.009 -12.932 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 53.986 16.184 27.380 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 53.079 16.152 27.075 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 54.178 17.118 27.464 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 89.096 16.640 66.538 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 89.999 16.955 66.557 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 88.614 17.321 66.069 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 26.986 72.716 42.043 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 27.268 71.902 41.625 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 26.601 73.229 41.333 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 43.305 46.411 6.789 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 43.921 47.061 6.451 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 43.092 46.718 7.671 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 30.227 3.983 29.864 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 30.860 4.419 30.434 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 30.503 4.214 28.977 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 85.722 88.742 7.425 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 86.074 87.913 7.749 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 86.433 89.370 7.552 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 46.929 9.951 37.404 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 47.145 9.818 36.481 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 47.668 9.572 37.881 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 64.023 84.642 -12.423 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 64.471 84.620 -11.578 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 64.461 83.970 -12.945 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 77.511 15.025 0.093 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 77.791 14.444 0.800 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 77.088 14.446 -0.540 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 76.965 85.098 7.280 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 76.775 85.030 6.344 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 77.757 85.633 7.325 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 43.767 85.902 -19.650 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 44.378 85.558 -20.303 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 43.095 85.225 -19.572 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 39.905 13.952 53.642 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 39.669 14.847 53.886 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 40.501 13.664 54.334 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 54.862 81.674 28.506 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 54.922 82.042 27.625 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 54.390 80.850 28.390 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 80.261 6.950 -3.957 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 81.043 7.437 -3.696 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 80.560 6.380 -4.666 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 83.170 92.328 44.533 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 83.976 92.357 45.048 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 83.246 93.067 43.929 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 22.853 14.081 64.350 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 23.752 14.316 64.119 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 22.597 14.730 65.005 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 59.917 4.944 -15.531 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 60.592 4.293 -15.724 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 60.074 5.189 -14.619 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 34.312 0.805 57.559 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 33.801 1.301 58.198 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 33.689 0.184 57.183 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 69.462 71.658 -7.479 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 69.234 70.985 -8.120 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 69.579 71.180 -6.659 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 86.012 81.057 33.040 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 86.338 80.181 32.836 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 86.156 81.560 32.238 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 67.598 38.421 9.164 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 67.022 39.097 9.522 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 67.600 38.583 8.220 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 39.634 0.572 62.083 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 39.968 -0.213 62.515 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 40.012 1.299 62.579 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 86.940 4.412 6.733 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 87.720 4.963 6.679 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 86.311 4.934 7.230 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 55.148 12.889 -18.133 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 54.570 13.591 -17.833 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 54.931 12.144 -17.573 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 34.183 45.871 41.599 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 34.525 45.415 40.829 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 34.570 45.409 42.343 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 62.284 74.115 -2.058 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 62.666 74.992 -2.091 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 61.796 74.097 -1.234 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 85.567 90.217 -0.231 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 85.645 90.803 0.522 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 84.806 89.671 -0.032 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 50.443 82.227 -18.525 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 50.081 82.011 -19.384 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 49.768 82.762 -18.108 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 58.589 75.734 -15.871 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 58.690 75.721 -14.920 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 59.244 75.114 -16.191 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 28.285 6.056 31.442 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 28.724 5.240 31.680 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 27.857 5.864 30.607 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 36.219 35.654 65.824 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 36.582 35.018 65.208 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 35.428 35.236 66.163 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 59.777 54.738 26.413 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 59.019 55.045 26.911 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 59.518 54.837 25.497 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 87.453 1.422 60.769 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 87.981 0.897 61.370 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 87.055 0.782 60.179 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 46.196 38.165 1.312 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 46.553 38.070 2.195 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 46.657 38.920 0.946 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 86.625 77.652 55.630 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 86.323 78.495 55.293 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 86.352 77.647 56.547 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 47.756 78.012 -1.081 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 47.547 77.394 -0.380 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 47.626 77.513 -1.888 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 66.701 69.632 -8.388 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 65.949 69.106 -8.660 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 66.620 69.693 -7.436 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 23.975 89.411 35.426 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 24.345 89.457 34.545 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 23.036 89.552 35.300 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 29.507 40.477 2.212 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 30.302 40.761 2.664 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 29.511 40.965 1.389 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 55.121 75.480 36.742 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 55.110 74.565 36.458 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 54.285 75.835 36.439 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 64.260 21.408 45.703 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 65.163 21.722 45.660 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 63.953 21.434 44.796 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 70.354 69.824 45.516 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 70.613 70.236 44.692 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 71.092 69.982 46.105 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 63.877 7.564 -13.440 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 64.114 6.835 -14.013 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 64.001 7.222 -12.554 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 39.964 93.627 -14.655 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 40.575 93.049 -14.197 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 39.163 93.110 -14.739 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 30.188 70.510 34.262 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 30.235 69.620 33.913 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 30.282 71.074 33.494 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 80.102 50.630 49.019 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 80.909 50.828 49.496 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 80.395 50.408 48.135 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 75.693 18.043 35.747 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 76.410 17.461 35.998 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 75.748 18.096 34.793 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 53.433 16.907 -13.453 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 54.375 17.073 -13.416 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 53.327 16.284 -14.171 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 61.575 -0.016 52.508 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 62.307 0.504 52.841 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 61.859 -0.303 51.640 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 64.619 38.544 31.345 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 64.968 39.038 30.604 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 63.936 39.108 31.708 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 81.393 82.169 65.082 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 80.706 82.822 65.215 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 81.940 82.534 64.387 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 80.358 44.353 43.015 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 79.558 44.780 43.320 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 80.868 45.058 42.614 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 40.380 15.918 1.535 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 41.176 16.449 1.549 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 40.237 15.725 0.609 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 51.432 30.241 59.197 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 52.028 30.726 58.626 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 50.615 30.738 59.168 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 67.819 9.018 -10.001 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 68.480 9.616 -9.651 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 67.052 9.158 -9.446 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 64.051 7.467 10.434 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 63.749 6.688 10.902 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 63.884 7.272 9.512 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 26.649 20.426 21.510 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 27.177 19.954 22.154 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 26.695 19.886 20.720 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 37.413 21.594 11.538 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 37.773 22.366 11.102 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 37.847 21.575 12.391 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 66.701 28.163 47.997 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 66.942 28.954 47.515 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 66.347 27.574 47.330 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 57.880 43.261 50.173 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 57.399 42.457 49.976 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 58.714 43.160 49.713 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 34.598 24.804 9.359 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 34.750 24.931 10.295 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 35.357 24.306 9.058 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 59.927 10.481 66.974 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 60.291 10.607 67.850 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 59.786 9.537 66.906 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 54.981 64.623 58.359 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 55.639 64.243 57.777 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 54.910 63.998 59.081 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 67.567 32.994 0.567 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 67.981 32.405 1.197 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 67.084 33.621 1.105 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 56.819 25.904 -16.400 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 56.081 26.494 -16.558 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 57.496 26.464 -16.020 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 38.976 76.854 7.995 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 39.503 76.529 8.725 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 39.145 76.237 7.284 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 68.498 19.024 35.861 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 67.694 18.936 35.350 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 68.704 19.958 35.826 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 45.143 39.387 -13.926 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 45.294 40.005 -13.211 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 45.287 39.901 -14.721 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 83.597 62.148 18.683 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 82.768 62.214 19.156 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 83.693 62.995 18.248 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 36.067 2.463 2.884 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 36.541 3.262 3.115 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 36.614 1.754 3.224 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 85.177 32.557 38.444 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 85.377 33.286 39.030 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 84.824 32.971 37.657 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 75.974 25.524 24.884 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 76.285 26.239 25.439 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 76.309 24.731 25.303 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 20.393 82.606 7.560 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 20.044 82.559 6.670 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 20.605 81.700 7.782 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 54.622 38.542 4.105 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 55.435 39.024 4.256 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 54.772 37.686 4.507 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 40.547 44.542 14.088 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 41.212 45.085 13.665 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 40.838 44.469 14.997 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 48.846 39.534 -4.287 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 49.181 40.150 -3.636 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 48.974 38.672 -3.891 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 26.914 47.436 14.962 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 27.175 48.326 14.723 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 26.682 47.023 14.131 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 59.912 16.984 -4.423 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 59.357 16.287 -4.072 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 59.566 17.147 -5.301 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 76.466 3.658 2.078 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 76.431 3.494 3.021 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 77.165 3.087 1.761 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 31.584 84.953 39.768 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 31.670 84.011 39.913 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 32.438 85.222 39.427 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 25.586 33.165 32.660 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 24.768 32.670 32.618 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 25.667 33.418 33.579 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 62.354 15.202 -14.108 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 63.136 15.626 -13.755 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 62.478 15.221 -15.057 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 60.700 11.206 -17.256 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 61.570 11.471 -17.553 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 60.867 10.541 -16.588 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 53.741 13.378 -3.356 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 54.496 13.514 -3.929 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 53.332 14.240 -3.289 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 36.035 84.694 36.018 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 35.808 84.823 35.097 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 35.616 83.867 36.255 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 84.764 36.423 -3.830 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 85.468 36.886 -4.284 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 85.214 35.775 -3.288 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 51.563 53.078 63.636 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 52.373 52.700 63.980 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 51.036 52.322 63.377 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 85.379 73.693 48.127 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 84.839 73.035 48.565 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 85.007 74.531 48.402 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 43.483 28.794 33.427 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 42.680 28.727 33.945 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 43.812 27.896 33.377 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 71.003 5.480 38.846 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 71.549 4.836 39.297 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 70.666 6.040 39.544 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 33.128 11.381 60.306 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 33.192 11.805 61.162 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 32.377 11.801 59.886 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 63.183 83.218 23.996 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 62.727 82.514 23.534 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 64.106 82.964 23.970 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 24.350 71.726 62.720 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 25.054 72.095 62.186 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 24.348 72.259 63.515 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 87.052 88.765 38.403 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 87.926 88.700 38.019 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 86.648 89.508 37.955 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 58.366 59.657 -17.444 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 57.731 58.942 -17.395 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 58.044 60.307 -16.820 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 58.892 50.795 35.273 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 58.350 51.520 35.586 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 58.424 50.459 34.509 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 73.589 40.990 64.762 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 74.350 41.090 64.190 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 73.113 40.243 64.399 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 47.352 60.451 -9.951 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 46.966 61.262 -10.282 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 48.189 60.722 -9.573 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 27.370 0.714 33.023 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 27.552 1.379 32.359 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 27.113 1.213 33.798 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 45.652 74.625 -5.100 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 46.122 74.454 -4.284 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 44.999 73.927 -5.152 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 63.776 1.611 45.032 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 63.905 2.347 44.433 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 63.956 0.836 44.500 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 44.334 78.095 46.599 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 43.951 78.518 45.830 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 43.990 78.591 47.342 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 73.726 18.596 -9.021 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 74.451 18.776 -8.423 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 73.221 19.409 -9.036 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 40.903 86.617 60.708 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 41.019 85.916 60.067 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 39.955 86.713 60.791 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 53.637 30.376 -19.626 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 52.710 30.561 -19.478 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 53.663 29.949 -20.482 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 54.261 47.051 62.325 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 54.842 46.979 63.082 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 53.989 47.968 62.317 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 62.113 6.552 62.265 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 62.535 6.308 63.089 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 61.266 6.105 62.288 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 29.198 28.265 -5.526 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 29.641 29.064 -5.244 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 29.040 28.395 -6.461 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 52.863 17.517 49.084 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 52.898 17.477 48.128 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 53.432 16.803 49.375 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 52.186 43.400 20.785 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 52.870 44.020 21.037 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 51.598 43.906 20.224 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 71.104 36.139 55.264 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 71.522 36.564 54.514 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 70.448 36.769 55.561 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 62.666 43.098 2.727 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 62.803 43.864 3.285 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 61.767 43.190 2.410 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 64.636 22.055 14.236 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 63.873 22.400 13.774 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 64.373 22.039 15.156 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 46.528 54.135 -7.471 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 46.901 54.816 -6.911 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 46.156 54.611 -8.214 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 20.276 13.673 62.601 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 19.796 14.006 63.359 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 20.952 13.108 62.974 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 64.040 94.925 65.430 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 63.979 95.207 66.343 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 63.555 94.100 65.401 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 68.950 42.549 51.694 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 68.276 41.927 51.968 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 69.329 42.160 50.905 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 28.942 12.970 66.397 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 29.550 12.884 67.132 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 28.421 12.167 66.421 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 44.780 17.837 45.257 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 45.455 18.294 45.760 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 44.628 18.397 44.496 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 75.646 6.472 -15.203 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 75.989 6.276 -14.331 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 75.968 7.352 -15.396 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 46.578 82.160 38.177 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 47.511 82.001 38.032 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 46.143 81.390 37.811 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 72.739 92.558 63.792 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 72.254 93.212 64.296 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 73.598 92.520 64.212 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 89.168 23.474 64.391 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 88.277 23.419 64.737 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 89.058 23.771 63.488 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 54.601 20.169 59.116 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 53.811 19.907 59.589 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 54.590 21.126 59.144 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 48.444 7.169 40.453 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 48.772 7.471 39.606 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 47.980 6.356 40.255 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 67.509 71.669 13.325 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 67.392 71.990 14.219 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 67.143 70.785 13.338 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 63.000 55.259 25.034 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 62.567 54.483 25.389 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 62.282 55.832 24.764 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 63.179 91.739 33.832 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 62.891 91.988 34.710 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 63.686 90.938 33.964 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 66.605 77.975 -9.104 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 66.383 77.095 -8.801 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 66.750 77.875 -10.045 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 73.008 68.702 41.573 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 73.917 68.579 41.846 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 72.653 67.815 41.514 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 49.511 43.779 -9.060 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 49.281 44.023 -9.957 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 49.411 44.588 -8.559 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 25.212 88.358 12.026 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 25.156 89.001 11.319 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 25.792 87.677 11.686 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 24.373 4.837 -18.734 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 23.825 4.611 -17.983 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 24.497 5.784 -18.665 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 59.063 62.546 -14.060 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 58.939 62.477 -13.114 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 60.011 62.620 -14.174 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 70.083 34.605 -13.706 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 69.631 33.954 -14.244 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 70.968 34.642 -14.068 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 35.653 10.606 23.790 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 36.447 10.451 23.277 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 35.955 11.086 24.561 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 36.936 58.130 43.415 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 37.820 58.156 43.049 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 36.447 57.559 42.822 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 88.090 49.357 19.241 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 88.534 48.510 19.264 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 88.633 49.897 18.666 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 37.123 35.960 45.571 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 37.166 36.531 44.804 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 37.297 35.084 45.228 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 84.854 32.618 -17.677 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 84.949 33.395 -17.126 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 84.291 32.901 -18.397 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 47.054 46.999 33.546 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 47.866 46.638 33.903 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 46.617 46.251 33.141 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 44.910 18.347 18.697 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 45.059 19.200 19.105 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 43.958 18.270 18.643 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 53.775 1.749 41.587 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 53.845 2.640 41.928 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 53.839 1.849 40.637 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 86.228 63.597 66.657 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 87.032 63.962 66.288 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 85.924 64.261 67.275 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 60.213 95.883 31.136 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 59.933 96.461 30.426 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 59.937 95.010 30.858 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 57.862 5.016 -17.432 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 58.111 4.308 -18.025 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 58.434 4.906 -16.673 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 42.996 11.400 -13.256 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 43.702 11.786 -12.738 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 42.203 11.573 -12.749 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 45.574 16.393 6.221 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 45.905 15.653 6.729 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 44.657 16.474 6.484 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 77.210 1.364 39.241 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 76.850 0.483 39.336 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 77.360 1.462 38.301 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 53.030 81.774 42.925 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 52.561 82.556 42.636 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 53.220 81.296 42.118 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 77.602 81.992 41.516 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 77.979 82.654 42.095 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 76.788 81.733 41.946 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 32.807 0.481 -11.496 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 32.848 -0.200 -12.167 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 31.978 0.323 -11.044 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 56.179 76.615 57.323 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 56.375 77.500 57.014 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 55.924 76.731 58.238 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 81.142 23.965 42.016 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 80.308 23.505 41.924 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 80.921 24.774 42.476 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 26.506 91.711 43.485 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 25.859 92.357 43.769 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 26.471 91.027 44.154 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 89.514 54.204 48.175 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 89.484 53.263 48.344 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 90.442 54.395 48.039 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 57.954 43.516 39.630 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 58.655 44.161 39.722 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 57.450 43.592 40.440 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 71.868 29.388 29.148 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 72.074 29.820 28.320 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 72.662 29.484 29.674 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 75.199 95.669 39.498 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 74.813 95.978 40.319 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 74.507 95.790 38.848 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 89.952 75.998 57.039 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 89.578 75.160 57.315 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 90.784 75.765 56.626 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 30.077 48.136 32.550 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 30.023 47.181 32.541 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 29.989 48.390 31.631 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 22.249 63.950 -5.727 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 21.578 63.843 -5.053 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 21.937 64.679 -6.263 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 69.243 32.309 65.541 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 69.411 33.237 65.377 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 69.714 32.120 66.353 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 53.961 12.258 -6.785 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 54.753 12.555 -6.337 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 54.273 11.609 -7.417 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 71.813 54.623 20.073 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 71.108 54.367 19.479 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 72.293 53.812 20.239 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 31.501 57.029 -12.346 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 32.313 56.842 -11.876 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 31.630 56.639 -13.211 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 43.561 1.752 -11.457 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 44.280 2.280 -11.802 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 42.886 1.793 -12.135 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 80.488 40.244 -5.996 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 79.962 39.515 -6.324 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 80.515 40.112 -5.048 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 44.476 37.549 32.342 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 45.140 37.722 31.675 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 43.733 37.193 31.854 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 46.449 38.635 4.023 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 45.714 38.998 4.517 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 46.617 37.786 4.432 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 41.503 6.827 52.742 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 42.200 6.213 52.513 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 41.951 7.664 52.868 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 53.777 34.096 -17.035 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 53.006 33.900 -17.567 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 53.630 34.988 -16.720 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 27.299 20.524 3.051 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 26.532 21.097 3.044 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 27.278 20.085 2.200 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 54.837 17.403 31.733 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 54.247 16.649 31.725 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 55.232 17.408 30.861 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 74.061 12.424 60.916 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 73.790 13.342 60.894 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 74.808 12.379 60.320 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 85.613 44.198 -4.808 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 85.715 43.879 -3.911 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 85.282 43.443 -5.294 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 69.787 24.241 29.428 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 69.495 24.131 28.523 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 69.873 25.187 29.540 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 38.720 11.903 3.202 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 37.930 12.212 3.645 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 38.401 11.498 2.396 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 30.588 22.888 52.749 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 31.417 22.975 52.278 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 30.167 22.123 52.356 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 45.202 72.872 -18.811 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 45.767 72.226 -19.234 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 45.122 73.578 -19.453 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 87.798 53.721 10.961 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 87.542 54.339 11.645 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 86.975 53.327 10.672 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 87.581 42.191 -6.576 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 86.711 42.362 -6.215 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 87.827 43.009 -7.009 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 62.165 9.019 65.747 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 62.195 9.944 65.991 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 61.700 9.007 64.911 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 75.547 22.817 -13.618 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 75.376 22.651 -12.691 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 76.311 22.278 -13.821 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 27.678 44.260 41.773 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 27.286 43.398 41.632 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 27.688 44.663 40.905 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 73.396 45.278 -4.423 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 72.474 45.404 -4.201 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 73.833 45.158 -3.580 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 67.779 45.799 43.609 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 67.674 45.606 42.677 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 66.918 45.624 43.989 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 37.854 93.158 33.418 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 38.534 93.400 34.047 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 38.332 92.770 32.685 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 42.492 61.608 6.597 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 42.858 60.806 6.968 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 42.869 62.311 7.125 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 38.760 19.315 -11.965 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 38.113 18.789 -12.436 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 38.299 19.620 -11.184 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 86.750 75.813 7.935 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 86.430 74.986 7.576 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 86.331 76.486 7.398 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 27.421 19.042 18.608 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 28.030 18.306 18.667 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 27.934 19.747 18.212 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 79.718 90.114 36.931 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 80.666 90.243 36.899 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 79.590 89.441 37.600 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 55.286 58.193 55.758 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 54.808 58.909 55.339 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 55.420 57.553 55.060 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 32.074 90.651 37.027 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 31.865 91.329 37.669 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 32.996 90.799 36.814 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 75.166 2.362 13.922 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 75.791 3.087 13.904 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 75.592 1.666 13.422 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 81.421 62.568 43.634 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 82.296 62.869 43.390 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 80.929 62.569 42.813 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 37.040 24.706 56.127 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 36.738 23.922 55.668 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 37.455 24.374 56.923 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 70.462 15.917 60.074 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 69.769 15.432 60.521 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 70.284 16.835 60.281 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 48.718 22.475 65.639 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 49.199 22.680 64.838 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 47.912 22.056 65.335 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 36.561 19.828 32.630 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 37.195 20.501 32.875 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 35.882 20.301 32.149 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 44.869 28.386 2.493 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 45.047 28.210 1.569 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 44.657 29.319 2.523 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 33.607 34.016 -12.725 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 33.582 34.245 -11.796 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 33.976 34.789 -13.152 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 24.577 32.737 24.255 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 25.479 32.913 23.987 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 24.054 32.931 23.478 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 29.974 29.563 29.683 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 29.938 30.130 30.454 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 30.820 29.121 29.749 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 47.964 9.927 -0.817 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 47.092 10.296 -0.681 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 47.891 9.022 -0.513 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 27.439 65.489 43.965 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 27.323 66.071 43.214 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 27.849 64.705 43.599 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 56.220 80.198 51.660 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 55.673 79.440 51.455 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 55.728 80.947 51.322 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 26.163 95.127 8.253 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 26.151 95.120 7.296 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 26.787 94.440 8.490 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 86.586 46.940 52.325 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 85.710 46.877 52.706 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 86.934 47.767 52.659 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 33.911 39.129 37.490 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 34.128 39.777 38.160 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 33.719 39.646 36.708 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 52.584 17.457 19.035 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 52.579 18.166 18.391 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 51.675 17.393 19.327 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 53.876 16.434 15.783 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 53.160 15.802 15.851 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 53.442 17.276 15.649 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 35.454 31.434 38.284 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 36.243 31.821 37.906 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 34.733 31.845 37.807 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 26.364 1.398 58.866 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 26.700 2.261 58.623 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 25.880 1.104 58.095 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 65.739 63.316 55.570 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 65.529 64.113 55.083 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 65.303 63.430 56.415 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 48.318 53.249 2.999 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 48.976 52.557 2.931 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 48.771 53.970 3.435 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 27.336 39.616 0.488 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 27.952 40.201 0.049 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 26.996 40.131 1.220 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 81.017 1.060 65.156 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 81.945 1.072 65.389 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 80.942 1.687 64.436 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 44.255 16.144 -12.345 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 44.566 16.018 -13.241 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 43.835 15.314 -12.118 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 42.960 9.212 15.124 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 43.627 9.358 15.795 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 42.703 8.297 15.236 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 63.106 18.084 -15.303 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 62.172 17.882 -15.347 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 63.141 19.002 -15.035 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 37.967 -0.240 26.990 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 38.109 0.699 27.108 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 37.022 -0.355 27.096 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 27.690 35.534 57.710 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 27.565 34.829 57.074 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 28.445 36.022 57.383 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 89.670 0.108 61.942 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 90.239 0.581 61.334 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 89.655 0.653 62.729 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 44.051 56.481 -15.033 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 44.085 55.800 -14.360 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 44.290 57.285 -14.573 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 77.162 20.949 39.211 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 76.837 20.051 39.265 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 77.778 20.939 38.478 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 50.208 79.186 61.902 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 50.145 78.561 62.624 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 50.767 79.886 62.239 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 39.478 42.098 28.657 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 40.335 42.523 28.707 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 39.674 41.189 28.429 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 68.716 9.636 40.780 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 68.499 9.062 41.515 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 67.888 9.756 40.316 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 20.909 75.987 9.842 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 20.883 75.892 8.890 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 20.630 75.134 10.176 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 89.024 14.712 64.882 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 88.308 15.016 64.323 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 89.171 15.430 65.497 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 31.847 38.672 46.159 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 32.061 37.909 45.623 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 31.071 39.047 45.743 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 89.450 65.073 40.396 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 89.817 64.344 40.896 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 90.118 65.275 39.741 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 35.422 41.642 55.807 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 34.710 41.084 56.120 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 35.057 42.092 55.045 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 60.065 28.473 53.589 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 59.391 28.551 54.265 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 60.890 28.468 54.073 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 39.730 36.192 12.976 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 39.860 37.084 12.654 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 39.624 36.291 13.922 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 83.025 65.591 54.011 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 82.813 66.210 54.710 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 82.658 64.758 54.309 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 66.007 91.770 16.179 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 66.214 91.539 15.274 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 65.052 91.718 16.228 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 83.273 20.001 50.802 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 83.110 19.070 50.655 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 84.222 20.095 50.719 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 33.902 18.092 24.254 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 33.528 17.428 23.676 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 34.396 18.668 23.671 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 76.748 54.462 -5.685 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 76.571 54.534 -4.747 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 77.702 54.495 -5.753 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 47.621 13.456 1.480 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 47.232 14.051 2.122 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 47.094 12.660 1.540 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 83.737 29.183 12.958 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 83.479 29.078 12.042 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 83.167 28.582 13.438 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 65.243 65.290 53.767 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 66.038 65.473 53.267 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 64.528 65.485 53.162 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 28.221 95.009 -0.585 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 27.266 95.022 -0.652 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 28.469 94.129 -0.869 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 35.748 47.013 56.908 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 35.870 47.943 57.101 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 36.637 46.667 56.826 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 56.298 48.756 36.007 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 55.783 49.509 35.717 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 56.930 48.611 35.303 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 84.327 38.322 59.702 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 84.972 38.751 60.265 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 83.490 38.463 60.145 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 76.439 43.770 35.947 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 76.354 43.384 35.076 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 75.560 44.083 36.159 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 75.196 83.243 27.568 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 75.598 83.878 28.161 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 74.268 83.481 27.555 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 84.971 2.560 65.197 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 84.559 1.905 65.760 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 85.134 3.305 65.775 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 57.331 52.160 -7.577 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 56.631 52.529 -8.114 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 57.280 51.216 -7.732 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 68.997 41.399 -11.613 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 68.184 41.124 -12.037 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 69.067 40.838 -10.840 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 24.004 90.619 -7.655 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 23.896 91.519 -7.962 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 24.447 90.704 -6.811 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 76.313 45.282 50.859 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 75.560 45.848 51.028 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 76.790 45.262 51.688 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 23.327 76.605 15.120 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 22.389 76.795 15.128 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 23.423 75.846 15.695 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 36.397 46.710 31.022 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 36.452 46.453 30.101 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 37.233 46.434 31.398 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 24.012 43.453 26.366 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 23.630 42.749 26.891 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 23.791 44.254 26.841 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 69.452 65.511 1.519 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 69.353 65.687 2.454 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 69.621 66.369 1.130 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 36.547 91.169 45.201 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 37.233 91.315 45.852 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 36.326 92.045 44.884 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 32.367 52.688 -8.282 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 32.781 53.511 -8.023 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 32.445 52.127 -7.510 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 22.162 64.623 15.256 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 22.156 64.292 14.358 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 23.069 64.520 15.544 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 30.634 4.679 14.024 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 30.789 5.624 14.007 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 30.864 4.414 14.915 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 28.128 32.687 6.744 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 27.475 33.272 7.129 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 27.617 32.072 6.218 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 42.032 34.928 33.093 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 42.276 35.317 32.253 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 42.223 35.609 33.737 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 40.445 71.920 1.133 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 40.361 70.971 1.227 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 40.235 72.090 0.214 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 65.663 9.025 53.064 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 65.099 8.836 52.314 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 65.319 9.843 53.423 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 75.620 87.096 46.857 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 76.089 87.748 47.378 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 75.762 87.366 45.950 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 43.912 36.538 36.766 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 43.247 36.791 36.126 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 44.673 36.295 36.237 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 71.686 66.278 47.706 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 72.356 65.832 47.187 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 70.959 65.657 47.742 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 26.028 28.127 5.196 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 26.801 27.650 4.894 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 25.790 27.703 6.020 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 65.211 15.821 61.194 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 65.084 15.860 62.142 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 64.577 16.445 60.841 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 39.693 61.736 -9.672 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 39.548 62.357 -8.958 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 40.593 61.435 -9.550 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 64.489 76.931 35.414 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 63.639 76.679 35.774 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 64.925 76.101 35.223 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 46.498 13.985 28.422 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 46.787 14.335 27.579 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 46.882 14.574 29.071 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 34.073 29.944 -19.767 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 34.864 29.743 -20.268 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 34.284 30.752 -19.300 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 51.148 48.079 -11.682 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 50.961 48.876 -12.179 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 52.004 47.792 -12.001 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 51.742 38.270 21.944 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 52.641 37.997 21.764 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 51.670 39.139 21.548 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 22.268 30.592 59.135 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 22.372 30.654 60.085 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 21.695 31.325 58.909 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 62.211 32.470 66.020 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 63.082 32.759 65.749 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 61.931 31.870 65.329 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 47.998 2.193 31.422 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 47.893 1.457 32.025 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 48.599 2.787 31.872 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 36.237 89.489 1.554 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 36.109 89.378 2.496 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 37.085 89.082 1.378 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 74.919 18.766 3.750 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 75.382 19.427 3.235 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 74.115 19.202 4.033 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 85.211 36.559 11.042 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 85.291 35.754 10.531 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 84.282 36.610 11.265 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 56.351 55.370 25.572 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 56.144 54.685 26.208 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 56.263 56.187 26.063 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 25.656 59.611 -13.752 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 25.530 58.781 -13.292 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 26.541 59.554 -14.112 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 31.833 36.770 -14.771 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 31.109 36.718 -15.395 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 31.413 36.942 -13.929 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 38.421 40.127 -5.263 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 38.028 40.378 -6.099 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 38.779 40.942 -4.911 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 22.904 70.614 14.031 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 22.216 70.094 13.614 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 23.600 69.985 14.219 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 52.619 52.196 26.448 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 52.518 51.369 26.920 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 52.416 51.979 25.538 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 77.658 41.518 49.865 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 77.889 40.591 49.814 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 78.499 41.975 49.863 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 71.137 76.750 60.850 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 71.185 76.425 61.749 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 71.618 76.103 60.334 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 33.714 48.879 -7.996 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 33.825 47.982 -7.682 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 33.617 49.402 -7.199 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 51.987 55.844 -11.626 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 51.453 56.079 -12.385 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 52.604 55.192 -11.959 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 78.536 58.584 44.160 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 78.324 59.014 43.331 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 78.672 59.305 44.776 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 90.377 57.663 10.563 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 89.916 57.069 9.970 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 89.796 57.746 11.319 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 61.865 17.353 9.359 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 61.312 18.088 9.096 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 61.442 16.585 8.976 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 83.945 16.933 -9.278 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 83.469 16.406 -8.636 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 84.859 16.667 -9.177 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 35.234 32.753 -4.803 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 35.744 31.954 -4.936 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 35.014 32.746 -3.871 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 55.265 27.995 59.832 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 54.725 28.749 60.070 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 54.897 27.268 60.335 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 80.546 57.381 42.788 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 81.382 57.391 43.254 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 79.896 57.598 43.458 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 81.795 40.668 25.008 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 81.535 41.218 24.269 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 81.636 39.773 24.708 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 59.117 44.468 -13.831 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 59.396 45.380 -13.751 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 58.777 44.243 -12.965 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 75.780 48.353 -15.565 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 75.467 48.290 -16.468 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 75.020 48.123 -15.031 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 30.975 31.261 -9.322 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 31.470 30.790 -8.652 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 30.953 30.663 -10.069 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 41.970 38.818 30.467 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 42.626 38.725 29.776 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 42.033 38.005 30.969 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 34.259 61.691 6.853 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 34.844 61.165 7.399 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 33.407 61.262 6.932 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 71.177 50.527 -9.719 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 70.539 51.174 -9.420 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 71.445 50.068 -8.922 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 39.974 78.289 -6.084 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 40.155 79.183 -5.795 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 40.825 77.851 -6.054 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 33.225 23.602 -2.755 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 33.156 22.648 -2.725 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 32.414 23.889 -3.174 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 37.260 64.352 -14.854 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 36.438 64.814 -15.017 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 37.902 64.804 -15.401 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 42.464 92.838 8.817 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 42.417 92.499 9.711 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 42.865 93.702 8.909 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 75.343 78.039 -17.510 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 74.414 77.847 -17.633 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 75.535 78.723 -18.152 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 35.561 80.849 44.903 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 36.266 80.758 44.261 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 35.236 79.958 45.030 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 53.478 50.370 56.835 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 54.002 51.130 57.089 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 53.933 50.007 56.076 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 43.430 51.528 0.107 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 42.500 51.580 0.328 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 43.813 50.996 0.805 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 59.333 30.140 11.761 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 58.976 30.530 12.559 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 58.979 29.251 11.749 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 36.769 42.085 20.041 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 36.409 41.960 19.163 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 37.715 42.139 19.907 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 37.263 10.805 65.507 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 38.192 10.977 65.665 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 37.251 10.261 64.719 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 34.477 41.117 7.082 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 34.550 40.988 8.028 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 35.382 41.201 6.782 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 45.269 77.894 24.310 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 46.203 77.785 24.129 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 45.055 77.177 24.906 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 29.740 64.766 58.992 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 29.186 64.023 59.231 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 29.281 65.182 58.261 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 24.345 17.373 55.203 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 24.659 16.698 54.602 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 23.605 16.967 55.654 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 35.870 6.346 16.944 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 35.407 7.069 16.520 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 35.918 6.600 17.865 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 70.450 27.113 29.924 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 71.131 26.493 30.184 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 70.921 27.928 29.748 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 34.565 38.074 43.059 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 34.405 37.617 43.884 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 35.512 38.216 43.043 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 38.413 50.984 17.617 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 38.820 51.821 17.841 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 39.094 50.333 17.787 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 51.776 65.799 16.632 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 51.582 66.683 16.943 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 52.566 65.900 16.101 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 46.394 37.278 -3.785 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 46.672 36.923 -2.940 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 45.442 37.176 -3.787 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 67.792 43.563 24.982 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 67.291 44.371 24.866 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 67.916 43.491 25.928 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 75.723 63.339 21.105 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 76.045 63.565 20.232 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 74.870 62.935 20.949 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 65.656 17.332 -15.391 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 64.787 17.734 -15.389 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 66.221 17.985 -15.803 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 65.072 85.105 15.255 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 64.949 84.264 15.694 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 64.762 84.957 14.362 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 38.186 66.112 64.197 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 38.163 66.000 65.147 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 39.116 66.067 63.972 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 67.821 67.781 42.465 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 68.177 67.531 43.317 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 67.551 68.693 42.575 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 60.989 45.764 38.545 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 60.124 46.108 38.320 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 61.568 46.524 38.503 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 61.438 11.823 6.952 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 61.699 11.025 6.494 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 60.602 12.066 6.553 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 49.595 75.141 4.840 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 49.762 74.244 4.549 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 50.228 75.287 5.543 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 74.158 74.796 64.041 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 73.588 74.499 64.750 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 74.807 75.352 64.471 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 43.606 21.089 -7.860 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 44.286 20.510 -7.515 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 43.213 21.487 -7.083 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 51.735 3.806 10.282 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 51.471 4.713 10.126 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 52.112 3.813 11.161 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 29.532 26.525 31.409 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 29.939 26.256 30.586 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 28.887 27.185 31.154 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 44.283 54.412 11.558 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 45.143 54.090 11.830 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 44.129 55.180 12.108 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 90.405 56.049 -13.587 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 90.873 55.225 -13.449 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 90.105 56.005 -14.495 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 53.684 54.428 14.923 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 53.153 54.332 14.133 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 53.356 53.752 15.516 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 22.799 45.561 19.686 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 23.362 46.334 19.725 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 21.947 45.869 19.996 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 79.057 38.437 60.851 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 78.688 38.093 60.038 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 78.311 38.821 61.310 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 42.794 79.485 48.541 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 41.995 79.393 48.023 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 42.646 78.937 49.311 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 43.688 36.003 -12.215 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 42.775 36.111 -12.482 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 43.682 36.151 -11.270 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 49.836 19.498 6.994 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 49.462 18.682 6.662 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 49.754 19.431 7.945 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 90.557 91.319 56.185 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 90.691 91.303 57.132 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 90.185 92.184 56.009 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 36.090 67.631 32.447 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 36.988 67.956 32.387 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 35.977 67.090 31.665 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 35.162 91.440 -6.957 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 35.785 91.223 -6.263 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 34.544 92.043 -6.544 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 71.627 75.092 45.940 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 71.817 74.242 46.335 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 72.091 75.078 45.103 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 36.052 53.778 36.965 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 35.841 54.484 36.354 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 35.252 53.654 37.475 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 33.694 20.282 52.989 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 34.490 19.943 53.397 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 33.193 19.500 52.753 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 26.429 42.498 2.082 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 26.216 41.796 2.696 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 25.620 43.004 2.006 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 81.047 42.461 9.479 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 81.195 42.315 10.414 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 81.710 43.104 9.229 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 29.183 91.724 3.890 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 28.776 92.583 4.000 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 28.527 91.104 4.207 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 90.236 94.792 -14.754 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 90.517 94.060 -15.304 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 90.958 94.921 -14.139 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 56.939 52.639 22.345 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 56.614 52.821 21.463 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 56.289 53.034 22.927 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 32.723 53.461 -1.216 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 32.629 52.906 -0.442 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 33.637 53.743 -1.199 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 50.607 25.337 47.809 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 49.932 25.603 47.184 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 51.408 25.281 47.288 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 26.364 88.295 52.908 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 27.080 87.909 53.413 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 26.752 88.500 52.058 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 75.576 46.641 33.113 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 76.297 46.573 32.487 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 74.806 46.352 32.624 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 79.820 70.222 27.687 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 80.127 69.454 27.206 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 78.885 70.065 27.818 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 83.153 22.551 43.042 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 82.456 23.014 42.578 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 83.269 23.044 43.854 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 75.557 96.170 -18.540 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 76.026 95.717 -19.241 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 75.994 97.018 -18.468 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 78.927 84.571 -5.934 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 78.635 85.295 -6.489 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 79.319 84.997 -5.171 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 36.022 9.554 61.726 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 35.387 10.053 62.239 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 36.413 8.945 62.353 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 33.246 71.485 8.057 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 32.614 72.193 8.175 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 33.514 71.251 8.946 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 27.572 47.356 -6.143 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 27.587 47.880 -6.943 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 26.709 47.524 -5.763 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 87.627 81.609 -1.677 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 88.019 81.076 -0.984 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 88.125 82.426 -1.662 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 28.637 48.842 9.453 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 27.887 48.750 8.865 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 29.335 48.340 9.032 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 39.799 91.814 17.753 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 40.463 91.475 18.353 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 40.272 91.976 16.938 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 28.923 14.347 6.645 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 29.739 14.843 6.570 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 29.204 13.451 6.830 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 20.985 22.069 36.107 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 21.062 23.005 35.922 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 21.353 21.641 35.333 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 41.526 67.334 18.696 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 42.326 67.102 18.223 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 41.753 67.227 19.619 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 35.193 91.143 -2.812 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 34.833 90.986 -1.939 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 34.426 91.196 -3.383 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 54.757 94.540 17.575 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 53.964 94.195 17.985 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 54.625 95.488 17.556 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 86.914 74.559 14.569 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 86.477 75.409 14.522 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 86.270 73.980 14.977 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 43.248 3.778 9.016 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 42.389 3.357 8.971 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 43.613 3.490 9.852 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 82.348 51.965 27.709 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 81.523 52.347 27.409 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 82.835 52.703 28.076 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 84.446 69.116 7.526 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 83.887 68.442 7.911 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 85.315 68.944 7.889 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 51.158 79.223 -7.788 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 50.456 79.251 -8.438 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 51.710 79.976 -7.998 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 39.600 65.548 51.709 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 39.475 66.491 51.599 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 40.392 65.350 51.209 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 58.485 80.239 54.182 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 58.880 79.818 53.417 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 59.186 80.779 54.547 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 46.373 84.455 49.957 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 46.646 83.789 50.587 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 45.732 84.011 49.401 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 73.099 87.309 48.110 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 73.306 87.764 48.926 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 73.946 87.186 47.682 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 25.864 70.966 38.317 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 26.404 71.533 37.766 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 25.328 70.470 37.698 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 88.114 32.561 21.330 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 88.864 33.131 21.161 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 88.170 32.363 22.265 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 78.504 3.866 -9.983 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 78.645 4.811 -10.048 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 77.664 3.780 -9.531 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 29.469 77.796 24.893 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 29.800 77.164 25.531 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 28.848 78.333 25.386 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 62.105 52.870 -16.041 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 62.260 52.942 -15.099 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 61.634 53.672 -16.268 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 59.733 22.274 14.145 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 60.120 21.424 13.935 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 58.814 22.190 13.890 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 53.634 77.131 33.503 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 53.503 76.385 32.918 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 54.526 77.022 33.834 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 75.217 60.928 13.425 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 75.952 60.877 12.814 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 74.744 60.106 13.301 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 27.556 29.241 13.444 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 28.325 29.355 12.885 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 27.318 28.320 13.341 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 79.953 29.535 14.902 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 80.463 30.270 15.242 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 79.808 29.749 13.981 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 48.612 18.659 40.226 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 48.281 18.365 41.075 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 48.181 19.501 40.078 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 87.259 94.193 21.289 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 87.329 93.246 21.410 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 86.674 94.297 20.538 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 75.257 80.534 -5.686 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 75.483 80.264 -4.795 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 74.604 79.894 -5.972 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 67.449 23.450 9.432 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 67.162 22.851 10.122 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 67.120 24.306 9.705 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 75.755 81.532 55.597 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 76.592 81.071 55.642 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 75.778 81.990 54.757 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 66.820 6.473 -10.130 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 66.041 6.942 -9.829 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 67.384 7.155 -10.496 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 53.665 20.275 12.697 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 52.740 20.072 12.837 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 53.733 21.214 12.866 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 51.778 17.598 11.976 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 52.470 17.992 11.444 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 51.376 18.338 12.432 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 69.262 96.398 53.415 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 68.483 96.777 53.821 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 69.908 96.366 54.120 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 24.251 96.172 63.170 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 23.864 96.387 64.018 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 23.619 95.581 62.760 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 48.197 91.656 4.651 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 47.641 91.310 3.952 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 49.089 91.557 4.318 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 71.467 88.937 22.636 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 71.531 88.133 23.151 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 71.542 88.648 21.727 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 38.951 20.308 6.168 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 38.573 21.067 6.612 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 38.831 19.585 6.784 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 44.434 13.405 18.266 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 43.659 13.107 17.789 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 44.538 14.320 18.005 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 56.581 39.124 -8.854 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 55.809 39.652 -8.653 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 57.305 39.751 -8.861 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 46.943 20.830 39.902 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 47.322 21.571 40.374 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 46.428 21.229 39.202 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 40.476 55.438 44.626 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 41.077 55.593 45.355 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 40.859 55.919 43.892 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 84.970 2.604 53.302 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 84.811 3.533 53.134 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 85.418 2.586 54.148 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 25.456 71.021 16.500 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 26.133 70.712 17.102 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 25.308 70.285 15.907 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 45.371 1.119 -17.779 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 44.751 0.493 -18.153 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 45.504 0.818 -16.881 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 40.264 15.629 34.928 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 39.536 15.666 34.308 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 41.020 15.938 34.430 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 88.752 87.060 50.202 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 88.865 87.724 50.882 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 88.981 87.509 49.388 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 54.718 2.501 7.495 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 54.628 3.333 7.960 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 53.877 2.380 7.054 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 75.534 19.703 48.637 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 76.154 19.857 47.925 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 75.671 20.435 49.238 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 88.497 16.918 57.307 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 88.614 17.644 57.920 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 88.090 17.317 56.538 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 51.137 94.569 3.036 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 51.071 93.692 3.412 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 51.478 95.111 3.749 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 68.722 21.156 55.966 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 69.320 21.749 55.513 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 68.775 21.417 56.885 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 36.327 65.988 -6.374 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 35.376 66.088 -6.396 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 36.489 65.140 -6.786 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 90.022 81.928 -10.832 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 89.432 81.817 -10.086 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 89.996 81.086 -11.286 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 21.567 69.614 53.413 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 22.093 70.120 52.793 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 20.752 69.433 52.944 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 30.967 44.287 31.659 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 31.619 44.974 31.802 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 31.472 43.542 31.333 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 61.114 19.365 -1.207 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 60.602 18.719 -0.720 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 60.561 19.595 -1.954 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 57.348 51.758 -3.473 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 56.496 51.925 -3.070 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 57.719 51.040 -2.961 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 72.454 13.930 6.627 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 72.564 14.250 7.523 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 72.995 14.513 6.095 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 29.055 15.005 61.381 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 29.369 15.690 61.972 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 28.105 15.006 61.497 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 46.100 83.492 16.588 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 45.560 82.988 17.197 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 45.557 83.583 15.804 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 79.857 2.584 55.261 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 79.376 3.250 55.753 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 80.476 2.219 55.894 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 50.836 60.496 52.778 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 50.126 60.066 52.301 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 51.556 60.539 52.149 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 66.336 0.959 -16.475 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 66.983 1.427 -15.947 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 65.603 1.569 -16.553 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 31.658 4.512 43.173 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 32.052 5.213 43.693 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 32.256 3.772 43.276 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 20.666 31.597 7.866 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 21.588 31.837 7.958 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 20.643 30.658 8.050 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 42.579 53.766 54.527 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 43.451 53.904 54.898 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 42.688 53.933 53.591 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 84.852 52.941 35.725 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 84.943 53.583 36.428 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 84.261 53.354 35.096 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 79.135 83.711 43.224 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 79.987 83.287 43.130 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 79.342 84.620 43.445 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 60.265 11.532 -9.113 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 59.943 11.047 -9.872 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 61.026 11.033 -8.815 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 29.108 10.665 46.057 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 29.537 11.491 45.835 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 28.274 10.694 45.588 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 32.659 79.399 2.361 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 32.480 80.320 2.551 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 32.510 79.316 1.419 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 64.509 83.644 53.751 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 65.176 82.966 53.645 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 64.761 84.106 54.550 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 43.266 90.262 55.929 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 43.526 89.654 55.237 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 43.027 89.700 56.666 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 35.064 24.143 31.964 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 35.764 24.119 32.616 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 35.514 24.311 31.136 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 77.970 47.411 -0.089 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 78.163 48.128 0.515 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 77.047 47.528 -0.314 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 29.611 11.424 12.919 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 28.965 12.108 13.095 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 29.423 11.140 12.025 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 24.465 93.294 44.476 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 24.123 93.408 45.363 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 23.829 92.722 44.046 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 52.196 19.090 0.974 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 52.187 19.995 1.285 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 51.524 18.650 1.495 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 25.825 80.059 58.036 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 26.366 79.274 58.127 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 25.769 80.203 57.091 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 22.992 72.333 -1.646 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 22.824 72.050 -0.747 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 23.503 71.621 -2.031 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 68.736 29.170 31.422 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 68.921 28.299 31.774 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 67.999 29.037 30.826 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 48.749 0.103 -11.962 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 47.957 -0.400 -11.772 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 48.637 0.920 -11.477 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 50.206 16.796 45.320 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 49.793 17.426 45.911 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 49.473 16.352 44.893 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 39.611 19.270 49.704 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 40.492 19.234 49.333 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 39.063 19.597 48.991 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 29.067 92.392 31.767 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 29.057 93.329 31.572 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 29.198 91.971 30.917 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 67.369 1.507 -2.859 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 67.198 2.382 -2.512 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 67.727 1.661 -3.734 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 28.766 18.706 10.011 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 29.599 19.177 10.038 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 28.362 18.981 9.187 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 44.272 91.215 -7.113 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 44.116 90.299 -6.887 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 43.399 91.602 -7.168 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 47.026 85.929 -1.848 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 46.698 85.669 -2.709 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 47.894 85.529 -1.791 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 23.960 39.401 17.654 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 24.805 39.736 17.354 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 23.370 39.538 16.912 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 28.422 17.125 16.058 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 27.539 17.495 16.089 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 28.864 17.617 15.367 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 51.774 27.060 59.723 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 51.835 27.398 58.829 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 52.307 27.661 60.243 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 41.066 91.563 -4.759 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 41.493 90.859 -4.270 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 41.039 92.298 -4.146 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 37.362 18.917 0.372 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 37.721 18.162 -0.095 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 37.027 19.488 -0.318 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 82.790 62.479 -14.932 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 83.388 61.872 -15.368 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 83.115 62.533 -14.033 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 27.011 72.939 7.468 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 27.462 73.760 7.273 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 27.344 72.680 8.327 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 62.376 29.418 20.328 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 61.633 29.013 19.881 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 62.067 30.294 20.560 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 51.618 84.096 -8.033 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 51.614 83.382 -8.670 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 50.781 84.013 -7.575 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 40.408 63.764 40.990 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 40.674 63.422 40.136 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 40.754 64.656 41.009 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 47.800 53.626 -12.502 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 48.313 54.400 -12.273 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 47.567 53.234 -11.660 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 38.767 21.073 13.813 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 39.267 20.270 13.959 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 38.704 21.477 14.679 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 60.033 17.409 60.291 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 59.587 17.954 60.939 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 59.805 16.512 60.533 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 89.242 60.025 -9.671 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 89.810 59.310 -9.959 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 89.188 60.609 -10.427 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 34.263 52.720 62.193 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 34.941 52.049 62.113 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 34.041 52.725 63.124 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 55.507 90.304 0.144 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 55.482 89.359 -0.004 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 54.598 90.587 0.038 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 49.361 72.543 -15.231 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 48.857 72.952 -15.934 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 48.864 71.756 -15.006 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 46.900 17.634 28.548 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 46.136 17.618 27.972 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 47.419 18.377 28.237 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 70.787 50.700 -16.803 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 70.998 49.812 -16.514 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 70.427 51.126 -16.025 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 69.610 29.857 16.118 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 69.105 30.363 15.481 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 69.160 30.004 16.951 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 56.707 30.857 -4.706 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 55.779 30.946 -4.488 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 57.149 31.486 -4.136 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 44.586 83.366 52.267 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 45.159 82.769 52.747 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 44.051 82.795 51.716 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 21.449 35.701 20.100 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 20.710 35.872 20.684 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 21.684 36.562 19.753 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 89.864 74.571 45.120 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 90.110 74.770 44.217 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 89.098 74.003 45.042 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 44.160 33.614 -13.238 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 43.923 32.849 -12.713 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 44.092 34.351 -12.632 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 23.122 2.407 -19.556 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 23.085 2.591 -18.618 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 22.386 2.896 -19.926 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 52.550 29.986 1.936 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 52.974 29.147 1.755 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 52.060 29.838 2.745 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 72.796 35.491 52.793 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 72.099 35.351 52.152 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 73.599 35.254 52.329 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 54.924 84.499 33.254 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 55.654 84.963 32.844 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 54.621 83.888 32.582 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 54.729 1.104 53.302 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 54.859 0.158 53.230 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 54.699 1.271 54.244 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 84.746 37.677 35.981 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 85.002 37.517 35.073 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 84.232 38.484 35.947 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 69.914 10.729 0.302 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 69.333 10.629 -0.452 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 69.332 10.966 1.024 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 50.711 17.602 33.120 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 50.861 16.681 33.337 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 51.124 17.717 32.264 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 63.853 45.308 -4.318 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 63.941 45.970 -5.004 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 64.112 45.758 -3.514 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 21.600 45.139 53.615 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 21.677 45.000 52.671 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 22.439 44.845 53.970 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 37.839 60.766 6.071 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 38.159 61.306 6.794 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 37.283 60.109 6.491 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 51.555 13.448 62.806 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 52.191 14.142 62.980 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 50.707 13.843 63.007 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 38.597 95.257 -19.031 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 38.746 94.986 -18.125 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 37.925 94.657 -19.353 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 34.965 34.021 21.086 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 34.962 34.666 20.379 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 35.360 34.480 21.827 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 43.789 63.451 8.015 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 44.523 63.217 7.446 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 44.171 64.031 8.673 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 80.483 41.840 49.905 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 80.437 41.265 49.141 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 80.971 41.335 50.556 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 80.046 28.322 31.536 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 79.620 28.599 32.347 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 80.034 29.102 30.980 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 37.035 24.143 41.925 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 37.598 23.494 41.502 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 36.264 24.196 41.361 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 30.688 17.053 28.109 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 31.263 16.666 28.768 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 30.061 17.572 28.613 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 79.748 75.688 33.428 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 80.283 75.829 34.209 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 78.874 75.987 33.679 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 63.904 25.974 53.026 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 63.376 26.655 52.610 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 63.361 25.187 52.981 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 36.057 71.607 24.938 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 35.723 71.005 24.274 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 36.799 71.146 25.329 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 20.581 78.041 35.283 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 21.270 77.784 34.670 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 20.930 78.815 35.726 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 65.439 44.549 -16.580 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 64.812 44.200 -15.947 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 66.189 44.821 -16.050 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 44.841 86.102 12.579 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 43.994 86.458 12.312 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 45.449 86.836 12.490 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 86.916 21.060 9.129 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 86.901 21.612 8.347 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 86.020 21.093 9.464 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 73.474 8.558 59.623 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 72.530 8.479 59.765 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 73.825 8.808 60.477 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 33.569 14.194 0.502 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 32.728 14.649 0.483 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 33.455 13.453 -0.094 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 50.276 67.488 -10.521 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 51.007 66.959 -10.202 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 49.693 67.573 -9.766 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 36.843 28.886 28.039 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 37.196 28.037 28.305 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 36.296 29.159 28.776 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 35.629 96.142 31.162 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 36.447 95.932 30.712 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 35.421 97.033 30.880 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 79.213 52.406 -7.108 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 79.100 53.151 -6.518 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 78.914 51.651 -6.602 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 80.036 1.253 3.729 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 79.842 0.632 3.027 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 79.555 2.045 3.489 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 45.385 24.482 30.787 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 44.836 24.594 30.012 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 46.035 23.828 30.529 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 50.837 41.099 28.153 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 50.654 40.223 27.812 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 51.216 41.571 27.412 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 31.280 32.879 3.966 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 30.465 33.381 3.942 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 31.144 32.172 3.335 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 22.615 12.883 42.821 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 23.456 12.939 42.367 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 21.974 12.744 42.123 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 30.749 8.350 58.722 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 29.960 8.893 58.730 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 30.739 7.926 57.863 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 90.090 55.869 -1.207 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 90.101 56.648 -0.650 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 90.791 56.018 -1.841 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 35.028 12.809 65.458 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 35.770 12.247 65.682 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 35.301 13.686 65.727 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 59.158 9.687 -10.800 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 58.636 10.004 -11.538 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 58.587 9.064 -10.352 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 78.321 46.335 49.305 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 77.547 45.964 49.728 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 78.988 46.347 49.992 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 38.072 45.506 42.972 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 38.422 45.048 43.735 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 38.807 46.026 42.645 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 57.687 1.147 -6.484 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 57.195 0.326 -6.482 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 57.207 1.716 -5.882 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 30.785 24.218 14.789 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 30.571 25.062 14.390 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 30.550 23.572 14.124 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 25.654 44.824 -18.821 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 25.022 44.121 -18.970 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 26.501 44.381 -18.776 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 84.491 66.982 34.356 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 84.793 66.930 33.450 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 84.980 66.297 34.812 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 68.154 25.842 -14.416 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 68.060 25.510 -13.524 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 67.485 25.376 -14.917 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 70.015 46.373 52.253 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 70.144 46.678 51.355 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 70.796 45.854 52.445 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 76.388 32.378 -18.282 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 76.562 31.843 -19.057 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 77.169 32.923 -18.186 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 20.904 13.975 -19.099 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 20.480 13.215 -18.701 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 20.396 14.724 -18.787 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 90.619 48.925 22.280 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 89.857 48.768 22.837 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 90.465 49.792 21.903 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 39.429 3.234 14.423 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 39.960 4.007 14.615 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 39.880 2.517 14.869 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 31.092 18.591 7.534 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 31.735 18.095 8.041 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 30.711 19.203 8.163 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 59.673 14.025 38.665 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 59.419 14.159 37.751 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 58.928 14.351 39.171 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 65.223 58.061 28.473 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 64.406 58.286 28.919 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 64.960 57.448 27.786 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 90.516 48.592 11.372 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 90.634 49.534 11.495 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 89.888 48.338 12.049 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 50.646 76.060 26.242 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 51.260 75.352 26.437 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 50.363 75.891 25.343 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 50.494 47.184 49.894 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 50.983 47.867 49.433 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 51.061 46.935 50.623 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 54.513 76.239 -10.691 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 55.120 75.507 -10.802 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 53.720 75.965 -11.151 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 34.821 43.831 -10.259 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 35.753 44.041 -10.202 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 34.502 44.349 -10.998 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 79.826 8.316 -13.638 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 80.078 7.530 -13.153 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 80.657 8.738 -13.858 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 73.274 5.665 -16.776 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 73.774 4.884 -17.012 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 73.938 6.314 -16.544 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 52.484 31.993 9.481 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 51.901 31.235 9.513 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 52.015 32.677 9.960 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 20.933 2.277 60.788 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 20.375 2.670 60.117 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 21.823 2.516 60.529 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 83.708 87.796 46.876 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 84.124 87.281 46.184 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 82.877 87.350 47.040 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 86.868 76.491 1.734 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 86.995 75.665 1.268 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 86.345 77.026 1.137 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 57.170 15.683 -10.256 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 58.021 15.919 -10.624 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 57.275 15.800 -9.312 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 44.578 42.865 25.810 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 44.784 43.794 25.700 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 45.413 42.460 26.043 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 73.960 47.909 49.842 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 74.313 48.198 50.684 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 73.072 47.614 50.043 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 41.530 46.852 4.744 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 42.043 46.642 5.525 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 41.425 47.803 4.774 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 39.650 60.169 -12.436 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 39.759 60.347 -11.502 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 39.182 60.933 -12.773 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 46.136 43.388 -2.130 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 46.922 42.904 -1.873 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 46.370 43.800 -2.961 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 47.384 46.451 50.304 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 47.531 46.797 49.424 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 48.259 46.390 50.687 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 52.552 69.612 50.953 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 51.616 69.797 50.885 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 52.959 70.195 50.312 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 25.929 89.225 3.762 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 26.256 89.605 4.577 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 25.890 88.284 3.934 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 66.047 -0.172 2.138 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 66.051 0.533 1.491 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 66.790 0.023 2.709 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 32.610 32.240 64.909 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 32.662 32.651 65.772 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 31.936 32.737 64.446 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 83.121 87.262 37.122 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 83.007 88.202 36.983 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 82.305 86.872 36.809 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 43.082 9.793 36.514 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 42.315 10.321 36.289 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 43.807 10.215 36.052 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 69.358 17.524 14.739 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 68.755 16.823 14.986 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 68.951 17.933 13.976 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 49.113 58.623 -2.097 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 49.178 58.027 -1.350 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 49.853 58.388 -2.656 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 72.587 67.962 35.292 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 72.520 68.061 34.342 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 71.893 67.342 35.518 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 70.417 58.398 12.525 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 70.053 57.515 12.473 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 70.984 58.379 13.296 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 28.786 68.392 22.310 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 28.578 68.580 23.225 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 29.353 67.622 22.346 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 23.901 70.348 44.756 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 24.353 71.064 44.310 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 23.899 70.602 45.679 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 81.786 42.500 12.259 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 82.279 43.313 12.367 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 82.382 41.816 12.565 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 53.340 4.472 -6.887 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 52.544 4.568 -7.409 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 53.567 5.366 -6.630 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 90.094 33.361 55.852 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 90.503 33.561 56.694 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 90.741 33.632 55.200 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 80.083 12.741 1.162 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 79.304 12.871 1.704 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 80.817 12.872 1.762 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 46.741 52.890 61.416 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 45.969 52.710 61.952 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 47.248 53.519 61.930 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 67.915 13.199 7.836 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 68.735 12.837 7.501 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 67.868 14.078 7.459 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 44.193 9.984 9.621 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 43.366 9.533 9.452 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 44.066 10.861 9.260 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 59.314 90.660 48.472 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 60.060 90.061 48.502 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 59.467 91.195 47.693 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 66.564 54.603 33.844 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 66.661 54.036 34.609 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 67.130 54.209 33.180 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 66.918 38.251 -6.825 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 67.581 38.925 -6.973 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 66.678 38.348 -5.903 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 48.269 78.127 41.297 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 48.154 78.317 42.228 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 47.515 78.538 40.873 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 51.926 8.767 -6.668 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 51.806 8.771 -7.617 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 51.054 8.587 -6.316 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 69.383 66.323 56.495 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 69.145 66.602 55.611 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 68.591 66.466 57.013 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 61.145 60.939 52.980 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 60.961 60.435 52.188 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 60.978 61.848 52.731 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 69.938 26.071 11.599 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 69.794 26.051 12.545 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 70.360 25.234 11.402 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 25.121 16.756 4.340 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 25.833 16.419 3.797 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 25.555 17.101 5.119 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 48.619 60.123 -12.773 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 48.970 61.013 -12.739 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 47.717 60.209 -12.462 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 78.458 38.216 46.998 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 78.867 38.621 47.763 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 79.174 37.759 46.557 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 60.546 47.347 6.018 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 60.550 46.441 6.328 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 61.434 47.662 6.186 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 43.924 47.919 56.846 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 43.791 47.875 55.899 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 43.966 48.855 57.040 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 75.658 37.379 -10.862 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 75.081 37.770 -10.206 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 76.541 37.537 -10.530 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 33.854 75.082 35.871 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 33.513 75.529 35.096 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 34.314 74.318 35.523 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 28.705 19.953 -4.204 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 28.836 20.858 -4.487 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 29.430 19.470 -4.601 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 50.595 19.114 51.297 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 50.280 19.915 50.878 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 49.883 18.485 51.177 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 23.438 40.667 22.007 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 22.828 41.131 21.434 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 24.240 40.589 21.491 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 48.549 38.814 42.445 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 48.603 38.092 41.819 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 47.710 39.235 42.254 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 68.292 21.886 0.233 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 68.681 22.107 1.079 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 67.384 21.665 0.436 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 49.276 39.423 33.323 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 49.544 39.827 32.497 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 49.089 38.513 33.094 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 51.723 67.196 65.840 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 51.701 67.101 66.793 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 50.975 67.759 65.639 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 32.461 25.219 32.419 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 32.304 25.727 31.623 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 33.394 25.004 32.386 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 49.600 93.019 7.448 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 49.266 93.593 8.137 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 48.989 93.135 6.721 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 63.741 35.690 63.546 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 63.924 36.555 63.180 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 64.593 35.368 63.838 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 34.495 31.114 -8.481 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 34.725 30.918 -9.390 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 34.867 31.981 -8.322 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 27.188 0.617 27.011 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 27.810 -0.107 26.939 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 27.389 1.023 27.855 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 67.996 95.218 17.050 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 67.655 94.658 16.352 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 68.004 96.096 16.670 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 24.474 77.645 65.024 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 24.672 78.311 64.366 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 23.601 77.874 65.343 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 60.375 33.061 -11.834 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 60.836 33.878 -11.643 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 59.910 32.851 -11.024 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 65.976 67.461 26.056 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 66.247 66.708 25.530 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 65.315 67.901 25.522 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 85.519 46.986 1.996 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 86.006 46.688 2.765 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 84.645 47.191 2.331 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 81.799 59.071 40.190 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 81.658 59.658 39.447 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 81.070 58.452 40.148 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 35.648 51.616 23.930 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 36.046 51.239 24.715 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 36.391 51.881 23.388 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 77.200 24.324 53.864 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 77.473 24.887 53.140 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 76.278 24.135 53.687 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 23.830 54.657 26.810 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 23.762 54.857 25.876 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 24.511 53.986 26.862 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 48.576 96.009 24.799 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 49.420 95.595 24.979 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 48.725 96.940 24.964 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 88.518 53.373 -12.206 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 87.850 52.696 -12.095 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 88.551 53.524 -13.151 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 70.370 12.919 52.181 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 69.841 13.196 52.929 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 70.139 13.532 51.483 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 71.559 53.400 -0.462 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 71.106 54.204 -0.207 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 71.168 52.720 0.087 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 36.542 14.554 -14.746 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 36.145 14.043 -14.042 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 37.474 14.337 -14.704 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 54.932 20.100 22.393 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 55.533 20.261 21.666 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 54.100 20.477 22.105 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 69.845 64.969 38.658 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 69.073 64.516 38.319 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 69.497 65.756 39.078 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 52.866 12.180 66.211 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 52.900 11.426 65.623 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 53.252 11.865 67.029 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 44.257 93.278 -16.189 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 44.510 92.368 -16.342 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 43.755 93.521 -16.967 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 44.332 19.863 0.974 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 45.043 19.962 1.607 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 44.742 20.027 0.124 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 25.347 8.467 56.450 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 26.245 8.137 56.499 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 24.801 7.709 56.654 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 52.663 58.469 -15.936 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 53.416 58.878 -16.362 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 52.257 59.175 -15.434 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 37.435 41.219 64.798 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 37.145 42.130 64.739 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 37.084 40.910 65.633 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 88.593 19.962 42.989 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 88.096 19.666 42.226 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 89.119 19.204 43.242 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 41.995 93.673 40.725 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 41.261 94.219 40.444 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 42.002 92.943 40.106 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 54.733 34.385 49.732 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 54.759 33.754 49.012 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 55.155 35.169 49.379 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 23.288 54.159 -16.146 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 22.692 53.920 -15.436 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 22.714 54.338 -16.891 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 79.993 29.876 -19.253 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 80.050 29.401 -18.424 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 80.100 30.796 -19.010 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 77.884 73.194 -8.141 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 78.807 73.416 -8.263 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 77.653 72.690 -8.921 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 75.628 35.606 55.096 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 75.502 35.003 54.363 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 76.579 35.690 55.177 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 79.028 66.394 10.326 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 78.232 66.316 10.853 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 79.336 65.494 10.221 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 31.014 63.432 34.427 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 30.966 63.504 33.474 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 31.861 63.020 34.595 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 24.688 24.772 49.615 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 24.359 25.671 49.612 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 24.717 24.530 50.541 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 23.685 49.019 -18.120 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 24.373 48.701 -17.535 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 24.153 49.339 -18.891 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 89.841 66.794 12.513 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 90.267 67.076 11.703 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 88.905 66.826 12.315 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 26.481 12.744 58.839 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 25.905 12.240 58.263 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 27.332 12.726 58.402 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 81.668 9.219 58.387 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 80.973 9.835 58.157 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 82.135 9.068 57.565 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 41.588 22.643 5.690 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 40.909 23.278 5.920 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 42.150 22.603 6.464 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 46.175 19.160 63.564 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 46.239 18.205 63.546 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 47.067 19.463 63.398 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 63.440 69.075 -12.014 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 63.810 69.036 -12.896 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 62.664 68.515 -12.055 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 42.824 32.906 36.119 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 43.675 33.216 35.808 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 42.331 33.705 36.304 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 89.587 24.019 6.001 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 89.448 23.352 5.329 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 88.913 24.677 5.830 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 35.094 46.990 -9.992 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 34.568 46.338 -9.528 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 35.029 47.778 -9.454 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 84.762 53.475 9.949 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 85.146 54.116 10.548 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 84.196 52.937 10.503 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 77.934 63.642 -5.021 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 77.806 62.783 -4.620 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 77.095 64.089 -4.906 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 53.027 68.931 13.836 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 52.893 69.757 14.301 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 53.966 68.909 13.651 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 88.560 11.622 -6.243 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 89.204 12.005 -5.647 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 87.744 11.615 -5.743 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 25.621 64.146 40.968 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 25.705 65.083 40.791 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 25.510 63.748 40.105 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 37.619 26.764 -4.869 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 36.704 27.047 -4.855 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 38.119 27.559 -4.686 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 55.323 68.511 43.834 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 54.466 68.163 44.082 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 55.368 68.383 42.887 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 78.047 58.168 31.176 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 77.555 57.391 30.909 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 78.027 58.147 32.133 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 33.981 33.953 38.435 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 33.940 34.906 38.359 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 33.512 33.756 39.246 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 78.574 73.406 -16.612 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 78.836 72.493 -16.733 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 79.282 73.792 -16.097 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 29.456 27.815 63.082 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 29.593 27.505 63.978 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 28.811 28.517 63.167 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 47.406 36.030 22.641 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 47.817 36.653 22.042 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 48.130 35.690 23.168 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 69.330 19.726 -18.098 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 69.404 19.129 -18.843 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 69.334 20.599 -18.489 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 31.339 51.623 58.002 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 32.124 51.488 58.534 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 31.012 52.481 58.271 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 86.968 56.543 7.962 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 87.664 57.115 7.638 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 87.426 55.766 8.283 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 57.945 60.785 23.097 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 57.931 61.520 22.484 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 57.376 60.128 22.696 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 78.698 94.312 46.257 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 79.070 93.937 45.459 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 78.924 95.241 46.214 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 72.922 17.336 62.479 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 72.471 17.772 63.202 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 72.568 17.749 61.691 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 83.757 78.784 52.884 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 83.502 79.604 53.307 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 84.533 79.010 52.371 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 30.014 9.569 14.840 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 29.748 10.203 14.174 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 30.801 9.947 15.231 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 65.397 31.689 -5.553 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 65.225 32.556 -5.185 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 64.568 31.220 -5.458 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 52.720 28.950 10.122 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 52.671 27.994 10.132 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 51.813 29.236 10.012 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 47.254 38.561 24.945 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 47.815 38.944 24.270 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 47.702 37.755 25.201 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 81.939 27.108 6.663 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 82.707 26.565 6.838 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 82.159 27.963 7.033 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 77.080 69.325 57.032 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 76.357 68.796 57.369 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 76.805 69.573 56.149 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 80.739 33.299 -3.087 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 80.455 33.966 -2.462 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 81.044 32.574 -2.542 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 76.338 36.789 11.086 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 75.532 36.273 11.078 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 76.234 37.408 10.363 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 50.264 24.541 -11.628 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 50.215 24.725 -12.566 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 51.169 24.264 -11.484 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 50.288 52.128 55.803 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 49.886 52.923 55.451 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 50.386 51.554 55.044 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 79.961 88.641 44.830 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 79.169 89.100 45.111 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 80.450 89.292 44.327 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 21.196 23.867 -17.430 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 21.369 24.801 -17.312 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 20.251 23.780 -17.301 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 39.747 46.290 -8.060 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 39.241 47.016 -8.424 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 40.625 46.401 -8.425 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 21.920 31.987 11.302 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 21.677 32.701 11.891 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 22.460 31.406 11.838 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 26.809 27.844 1.793 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 26.760 26.888 1.813 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 25.916 28.127 1.599 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 56.089 59.709 21.600 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 55.142 59.623 21.491 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 56.455 58.977 21.102 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 26.138 52.140 8.084 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 25.653 52.859 8.488 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 27.004 52.178 8.490 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 83.251 17.384 -5.156 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 82.600 16.952 -5.709 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 83.061 17.070 -4.272 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 22.297 22.872 6.722 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 22.321 22.626 7.646 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 21.805 22.168 6.299 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 76.607 93.949 12.233 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 76.413 93.039 12.455 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 77.549 93.960 12.064 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 75.799 52.169 64.299 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 75.378 52.894 63.836 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 75.671 52.369 65.226 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 44.078 53.956 20.622 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 43.505 54.266 19.920 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 43.745 54.386 21.410 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 43.172 41.377 40.808 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 42.364 40.932 41.065 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 43.029 41.626 39.895 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 86.819 20.806 50.238 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 87.703 20.682 50.584 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 86.636 20.001 49.754 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 65.752 30.687 44.571 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 64.827 30.464 44.672 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 65.787 31.634 44.709 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 47.751 77.741 9.211 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 48.541 77.423 9.647 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 47.546 77.067 8.564 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 31.941 56.909 55.525 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 32.006 56.062 55.967 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 32.648 56.897 54.880 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 43.007 17.058 1.177 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 43.818 16.586 0.986 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 43.165 17.946 0.858 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 35.674 79.298 -7.368 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 35.471 78.925 -6.510 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 36.617 79.460 -7.342 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 37.850 3.672 -19.738 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 38.772 3.919 -19.665 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 37.387 4.312 -19.197 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 28.900 13.089 48.673 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 29.658 12.634 49.041 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 29.150 14.013 48.678 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 54.615 59.992 -17.336 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 55.080 60.405 -18.064 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 55.081 60.289 -16.555 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 21.331 66.282 61.007 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 21.788 65.443 61.066 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 20.663 66.240 61.692 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 33.815 38.244 5.698 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 33.585 38.012 4.798 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 33.171 38.907 5.947 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 82.733 46.697 -7.467 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 82.298 47.109 -8.213 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 82.427 47.192 -6.707 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 28.017 68.234 10.620 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 28.888 68.340 10.237 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 28.125 68.490 11.536 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 45.059 52.960 22.918 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 45.045 53.824 23.329 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 45.322 52.365 23.620 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 73.277 12.085 65.695 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 72.769 11.616 65.033 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 72.623 12.410 66.314 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 70.749 90.516 46.758 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 70.062 90.052 46.279 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 70.736 90.128 47.633 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 81.326 86.022 33.779 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 80.882 86.829 33.516 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 80.643 85.352 33.752 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 87.099 37.707 -4.659 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 88.029 37.559 -4.486 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 87.084 38.216 -5.469 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 51.643 15.275 2.568 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 51.553 16.053 2.017 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 52.582 15.214 2.744 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 21.427 49.151 26.336 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 21.098 48.401 25.840 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 21.105 49.915 25.858 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 51.361 38.999 8.476 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 52.187 39.343 8.816 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 51.049 38.405 9.158 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 36.201 46.025 45.281 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 36.854 46.392 45.878 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 36.210 46.614 44.526 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 64.653 23.277 38.343 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 65.049 22.500 38.737 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 65.168 23.433 37.551 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 21.423 11.498 64.135 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 22.017 10.754 64.236 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 21.781 12.171 64.714 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 42.545 70.186 13.271 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 43.451 70.032 13.001 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 42.615 70.537 14.159 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 68.756 81.702 -16.293 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 69.534 82.000 -16.765 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 68.963 80.805 -16.032 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 68.566 62.886 15.838 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 68.776 62.062 16.276 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 67.619 62.850 15.700 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 67.341 9.212 -4.220 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 68.217 8.907 -3.983 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 67.390 10.165 -4.141 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 70.420 67.392 17.533 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 69.575 66.956 17.423 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 70.966 67.038 16.831 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 59.778 75.482 25.345 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 60.102 74.693 24.911 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 58.882 75.265 25.601 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 29.942 18.016 47.221 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 29.076 18.365 47.432 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 30.503 18.789 47.156 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 53.806 88.691 22.531 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 52.979 89.134 22.722 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 53.553 87.916 22.030 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 56.496 22.195 17.154 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 55.920 22.696 17.731 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 56.137 22.334 16.277 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 47.960 52.379 39.036 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 48.574 52.029 38.391 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 48.324 53.231 39.277 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 49.419 19.942 58.165 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 48.646 19.734 57.640 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 49.603 20.861 57.968 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 74.757 14.105 -19.291 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 73.862 13.880 -19.036 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 75.144 13.274 -19.565 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 59.718 61.433 -8.510 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 59.371 60.794 -7.887 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 60.637 61.189 -8.617 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 51.516 11.849 4.114 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 51.234 10.974 4.382 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 51.835 12.255 4.920 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 76.190 80.743 -16.380 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 76.464 79.833 -16.499 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 76.825 81.107 -15.764 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 90.329 29.399 2.131 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 90.983 28.770 1.825 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 89.577 28.862 2.378 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 56.980 46.504 54.254 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 57.242 47.330 53.846 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 56.818 46.729 55.170 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 41.983 93.786 -11.012 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 42.149 94.623 -10.578 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 42.310 93.909 -11.903 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 31.339 45.539 52.821 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 30.797 44.751 52.781 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 31.966 45.435 52.105 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 42.561 21.987 28.636 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 42.306 21.175 28.197 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 43.211 21.714 29.284 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 22.611 27.435 25.612 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 22.863 27.376 24.691 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 21.654 27.477 25.597 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 42.443 43.063 -14.273 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 43.235 43.579 -14.120 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 41.969 43.100 -13.442 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 35.559 17.135 10.167 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 35.728 17.760 9.462 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 36.404 16.714 10.323 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 88.857 78.428 54.259 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 88.166 78.107 54.838 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 88.931 77.758 53.580 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 82.049 31.544 17.082 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 81.598 32.197 16.547 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 82.288 32.012 17.882 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 45.422 64.671 -6.971 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 45.664 63.868 -6.508 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 45.059 65.239 -6.291 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 21.678 5.932 53.643 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 21.401 6.247 52.782 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 21.145 5.152 53.796 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 32.105 51.610 52.847 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 31.901 51.185 53.680 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 31.595 51.125 52.198 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 30.287 34.517 58.307 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 30.618 35.114 58.979 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 30.169 33.684 58.764 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 20.571 87.114 13.551 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 20.227 87.972 13.800 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 21.481 87.282 13.307 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 50.172 79.905 65.198 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 50.818 80.600 65.328 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 49.675 79.884 66.015 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 84.653 10.694 48.794 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 85.071 11.183 49.504 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 83.719 10.725 48.999 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 30.317 11.722 7.534 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 30.527 12.513 8.030 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 30.940 11.067 7.851 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 87.163 11.054 5.309 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 86.749 10.241 5.599 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 86.894 11.705 5.957 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 50.975 63.986 10.928 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 51.420 63.149 10.796 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 51.334 64.323 11.749 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 50.708 38.192 11.072 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 51.487 38.043 11.607 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 50.101 37.499 11.331 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 38.346 14.641 60.247 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 38.224 13.699 60.124 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 37.629 14.903 60.824 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 87.971 15.127 3.971 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 88.775 15.588 4.212 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 87.471 15.076 4.786 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 50.646 45.892 37.224 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 50.239 45.818 36.360 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 50.924 46.806 37.281 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 63.829 36.795 -15.944 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 63.267 37.243 -16.577 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 63.492 35.899 -15.917 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 49.115 40.118 1.501 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 48.662 40.961 1.494 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 49.330 39.969 2.422 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 82.619 81.578 58.542 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 82.397 81.073 59.323 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 81.950 81.336 57.901 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 78.573 30.178 62.635 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 78.771 31.010 62.205 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 78.523 29.544 61.919 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 37.748 6.264 -10.930 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 38.238 6.761 -10.275 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 37.717 6.839 -11.694 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 89.419 36.683 -11.004 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 88.787 35.978 -11.145 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 89.391 36.845 -10.061 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 66.661 5.291 7.659 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 66.202 4.455 7.745 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 66.332 5.662 6.840 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 26.937 15.351 43.617 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 27.541 15.701 42.961 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 26.598 16.125 44.067 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 44.008 27.220 63.472 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 44.888 27.592 63.416 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 44.046 26.432 62.930 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 84.330 88.046 5.078 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 83.691 87.384 5.342 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 84.792 88.269 5.886 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 70.216 33.605 -10.341 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 69.974 33.981 -11.187 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 70.947 34.144 -10.039 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 81.764 83.243 19.882 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 81.420 82.382 20.120 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 82.236 83.095 19.063 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 68.576 5.355 21.064 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 68.327 5.684 20.200 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 68.431 6.095 21.654 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 46.356 17.728 33.352 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 47.099 18.234 33.023 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 45.667 17.862 32.701 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 44.405 61.641 16.008 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 45.095 61.957 15.425 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 43.660 62.216 15.832 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 67.164 65.074 51.548 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 66.718 64.792 50.750 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 68.095 65.036 51.328 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 43.711 71.767 0.584 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 43.223 71.565 1.383 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 44.578 71.388 0.730 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 31.568 88.008 37.857 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 31.868 88.889 37.636 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 32.142 87.427 37.358 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 20.762 43.131 31.695 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 19.847 42.880 31.815 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 20.740 44.084 31.605 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 34.981 33.447 49.989 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 34.317 34.009 50.388 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 34.529 32.618 49.832 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 75.596 50.305 -5.223 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 75.389 49.383 -5.073 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 75.142 50.771 -4.521 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 43.118 6.177 -6.356 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 43.030 6.974 -5.833 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 43.348 5.498 -5.723 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 48.997 62.656 6.826 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 49.337 63.402 7.321 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 49.778 62.209 6.501 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 27.027 34.141 65.157 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 27.449 33.375 65.546 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 27.313 34.134 64.243 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 63.734 31.985 39.530 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 62.962 31.733 39.022 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 63.546 31.681 40.418 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 28.586 91.166 38.451 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 29.397 91.545 38.790 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 28.507 90.326 38.904 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 85.986 34.355 9.448 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 85.832 33.950 8.594 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 86.507 33.712 9.928 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 68.895 49.521 41.854 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 68.289 50.256 41.762 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 68.686 48.944 41.119 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 58.283 27.475 -19.544 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 58.553 27.668 -20.441 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 57.488 27.993 -19.416 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 81.288 3.349 46.701 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 80.685 3.784 46.098 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 81.750 2.710 46.160 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 62.178 10.617 40.083 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 61.285 10.587 39.742 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 62.309 11.532 40.334 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 45.399 51.335 3.342 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 46.330 51.285 3.558 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 45.015 51.846 4.055 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 42.944 96.755 -18.618 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 42.600 96.281 -17.861 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 42.264 96.666 -19.286 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 65.831 36.395 8.481 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 64.962 36.787 8.395 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 66.392 37.117 8.766 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 84.870 42.981 -13.277 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 84.351 43.524 -13.871 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 84.772 42.091 -13.618 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 79.614 25.286 35.808 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 79.731 24.351 35.973 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 80.357 25.527 35.255 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 73.908 96.141 35.343 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 73.357 96.271 36.115 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 73.564 96.756 34.695 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 70.694 33.988 3.746 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 69.890 34.434 3.480 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 71.201 34.659 4.204 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 74.648 25.533 16.573 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 75.022 24.804 16.079 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 73.925 25.846 16.029 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 29.647 14.156 -10.723 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 29.667 13.790 -11.607 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 29.054 13.581 -10.238 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 28.230 16.574 -16.882 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 27.577 15.885 -16.754 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 28.717 16.599 -16.058 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 38.696 57.411 -9.946 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 38.191 57.341 -9.135 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 39.442 57.965 -9.717 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 33.088 51.777 24.289 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 32.927 52.582 23.797 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 34.006 51.569 24.117 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 25.353 76.802 -7.499 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 25.840 76.230 -6.906 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 25.510 77.685 -7.164 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 31.808 4.935 61.946 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 32.326 4.302 62.444 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 32.347 5.136 61.181 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 85.909 36.786 44.170 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 85.872 36.203 43.411 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 86.460 37.515 43.887 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 59.279 92.734 56.812 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 59.931 92.894 56.130 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 59.439 93.418 57.463 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 70.777 27.579 2.401 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 71.505 27.970 1.917 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 70.970 26.642 2.408 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 78.030 41.898 27.201 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 77.155 41.713 26.860 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 78.479 41.053 27.181 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 21.267 27.633 -8.482 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 22.192 27.634 -8.236 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 21.236 28.127 -9.301 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 81.357 82.523 43.362 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 81.308 82.552 42.406 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 81.264 81.595 43.579 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 47.436 96.792 33.219 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 47.836 95.934 33.359 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 47.345 97.161 34.098 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 50.898 30.802 -7.286 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 50.582 30.354 -6.501 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 50.511 31.676 -7.235 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 74.696 61.398 60.215 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 74.938 60.511 59.947 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 73.897 61.587 59.724 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 69.724 37.350 -18.457 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 69.135 37.066 -17.758 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 70.510 37.653 -18.001 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 51.761 62.033 6.461 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 52.487 61.968 5.840 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 52.052 62.678 7.105 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 42.971 10.280 -17.296 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 43.508 9.915 -17.999 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 42.071 10.071 -17.549 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 55.442 7.531 21.531 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 55.146 7.938 20.717 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 55.072 8.081 22.222 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 32.145 27.927 29.595 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 32.592 28.305 28.838 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 31.522 27.305 29.219 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 20.691 27.067 6.171 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 21.636 27.212 6.132 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 20.570 26.179 5.835 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 20.809 2.658 51.790 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 19.982 2.395 52.194 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 20.595 3.451 51.299 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 72.970 43.564 12.820 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 72.308 42.873 12.850 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 73.497 43.359 12.048 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 50.242 4.700 -19.682 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 49.600 5.254 -20.127 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 49.970 4.707 -18.765 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 84.153 14.450 -12.930 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 83.318 14.551 -13.387 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 84.520 15.334 -12.901 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 72.625 31.630 -3.452 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 71.860 31.083 -3.276 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 72.314 32.285 -4.077 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 25.964 91.172 19.138 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 26.113 90.478 19.781 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 26.286 90.808 18.313 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 61.223 23.154 33.003 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 61.371 24.099 33.020 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 62.059 22.785 32.717 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 57.184 28.503 15.086 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 56.636 29.252 14.850 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 56.784 28.157 15.884 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 62.915 13.111 42.818 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 62.526 13.267 41.957 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 62.882 12.160 42.927 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 64.297 27.776 62.733 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 64.155 27.799 61.787 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 65.184 28.116 62.851 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 66.540 23.165 36.403 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 67.077 22.716 35.750 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 67.048 23.109 37.212 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 49.510 1.559 -14.099 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 50.102 1.896 -13.426 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 49.077 0.812 -13.686 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 77.512 16.852 -14.138 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 76.924 16.099 -14.074 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 77.179 17.354 -14.882 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 74.804 59.583 -11.087 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 74.385 60.394 -11.376 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 74.079 58.972 -10.958 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 47.587 46.086 56.676 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 48.367 45.945 57.211 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 47.468 47.036 56.669 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 61.588 95.046 23.363 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 61.062 94.288 23.617 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 61.389 95.176 22.436 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 80.972 74.393 46.762 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 81.241 73.565 47.158 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 80.026 74.430 46.902 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 40.307 64.083 47.217 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 39.582 64.079 46.592 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 41.088 63.948 46.679 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 25.648 81.247 64.908 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 26.255 80.862 65.540 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 25.899 80.862 64.069 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 29.200 77.211 56.744 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 30.003 77.657 56.475 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 28.916 77.681 57.527 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 57.890 90.989 -2.178 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 57.979 90.164 -1.701 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 56.963 91.030 -2.416 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 26.703 6.314 1.188 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 25.747 6.350 1.218 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 26.897 5.536 0.665 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 36.232 28.326 66.400 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 36.081 27.566 65.838 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 37.074 28.150 66.821 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 90.175 62.072 44.303 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 89.631 61.345 43.999 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 90.936 62.061 43.722 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 32.528 27.447 -15.065 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 33.006 26.792 -14.556 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 33.099 27.636 -15.810 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 44.521 40.517 -8.468 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 45.370 40.189 -8.764 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 44.465 40.247 -7.552 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 82.720 91.762 -1.663 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 83.133 91.934 -2.509 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 82.419 90.856 -1.721 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 80.906 14.594 37.964 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 81.287 13.762 38.244 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 81.318 15.248 38.528 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 54.744 26.882 62.634 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 55.071 26.057 62.994 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 53.813 26.890 62.860 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 78.647 13.273 -8.457 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 78.651 13.694 -7.597 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 78.648 14.000 -9.080 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 45.340 9.627 -12.482 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 45.543 9.049 -11.747 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 44.619 9.194 -12.938 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 37.293 91.093 18.458 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 38.124 91.194 17.995 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 37.328 90.209 18.824 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 88.582 89.949 42.247 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 87.909 89.676 41.624 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 88.313 89.558 43.078 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 74.649 5.203 59.819 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 74.683 5.296 58.867 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 73.764 5.481 60.056 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 41.383 85.744 26.967 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 41.427 86.157 26.104 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 41.429 84.805 26.787 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 49.491 39.593 -13.239 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 48.948 39.500 -12.456 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 49.149 38.938 -13.847 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 61.168 57.205 -11.184 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 61.340 56.810 -12.039 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 62.033 57.455 -10.857 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 82.318 45.730 50.330 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 81.679 46.405 50.556 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 82.767 46.073 49.557 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 59.732 24.644 -15.493 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 59.706 25.431 -16.038 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 60.614 24.638 -15.122 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 37.498 80.797 42.589 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 37.330 80.941 41.658 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 37.666 79.857 42.660 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 29.457 4.085 -3.955 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 29.235 3.536 -4.707 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 29.656 4.941 -4.334 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 87.379 15.500 6.765 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 87.518 15.072 7.610 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 86.845 16.267 6.969 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 63.115 60.744 35.912 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 62.790 59.844 35.910 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 63.042 61.028 35.001 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 27.912 58.958 10.523 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 27.200 59.456 10.924 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 28.203 59.502 9.790 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 81.290 71.775 16.972 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 81.448 70.899 17.322 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 80.979 72.281 17.723 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 71.715 84.489 34.151 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 72.534 84.710 33.708 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 71.073 85.099 33.789 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 56.508 3.107 -4.775 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 57.115 2.815 -4.095 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 55.923 3.719 -4.327 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 83.624 8.867 9.912 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 82.916 8.252 10.103 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 83.220 9.533 9.355 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 39.393 9.960 22.060 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 39.211 10.885 21.895 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 40.324 9.934 22.279 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 81.158 87.877 -0.950 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 80.885 87.025 -1.290 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 81.506 88.340 -1.712 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 55.852 0.677 -9.575 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 55.872 0.460 -10.507 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 56.503 0.097 -9.179 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 65.545 73.652 38.096 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 66.431 73.569 37.741 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 64.986 73.225 37.447 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 62.439 45.417 -19.519 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 63.386 45.505 -19.405 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 62.065 46.075 -18.933 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 36.902 1.682 57.801 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 37.143 1.577 58.722 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 36.055 1.243 57.724 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 24.076 93.840 -6.947 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 24.898 93.386 -6.760 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 23.922 94.386 -6.177 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 33.218 82.063 64.503 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 33.231 81.106 64.494 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 32.368 82.287 64.882 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 70.179 6.110 67.255 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 70.033 5.399 67.879 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 69.552 5.945 66.551 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 22.860 51.569 54.202 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 21.983 51.481 53.828 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 23.419 51.044 53.629 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 66.264 56.219 54.927 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 65.388 56.211 54.541 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 66.824 55.823 54.259 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 74.236 54.446 63.818 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 73.444 54.368 63.287 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 73.920 54.705 64.684 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 62.420 10.829 48.951 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 61.646 11.392 48.959 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 62.172 10.088 48.398 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 39.964 16.046 44.861 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 40.839 16.413 44.985 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 40.052 15.469 44.102 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 68.753 95.185 5.909 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 68.134 94.546 5.555 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 68.697 95.930 5.311 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 42.754 74.956 53.279 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 43.093 74.205 52.793 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 42.345 75.508 52.612 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 32.923 66.272 17.437 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 33.013 65.330 17.578 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 33.821 66.603 17.443 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 52.026 67.597 11.474 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 51.634 67.054 12.158 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 52.670 68.135 11.934 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 85.695 6.099 3.767 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 85.798 6.378 2.857 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 84.776 5.839 3.835 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 66.164 0.444 7.494 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 65.661 -0.261 7.902 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 67.062 0.115 7.468 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 26.085 92.101 39.347 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 26.842 91.609 39.029 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 26.299 93.016 39.162 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 41.149 30.767 36.171 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 41.818 31.432 36.330 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 40.328 31.186 36.430 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 59.639 83.414 3.410 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 58.780 83.110 3.116 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 59.555 84.366 3.451 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 81.954 19.316 -13.486 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 82.466 19.039 -12.726 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 81.055 19.067 -13.273 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 71.561 48.191 -16.386 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 71.017 47.545 -16.835 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 71.577 47.899 -15.474 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 51.370 58.909 65.091 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 51.805 59.639 64.650 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 51.872 58.137 64.829 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 24.928 86.251 27.734 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 24.329 85.726 27.204 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 25.068 85.730 28.525 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 47.705 28.505 48.635 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 47.220 29.019 49.280 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 47.926 29.131 47.946 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 60.527 0.800 7.215 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 59.687 0.491 7.556 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 61.098 0.032 7.252 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 82.232 90.287 46.162 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 82.361 90.953 45.487 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 82.833 89.582 45.922 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 22.600 3.242 42.255 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 23.415 3.141 42.747 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 22.798 3.908 41.597 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 63.129 43.411 11.826 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 62.478 43.153 12.480 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 63.154 44.366 11.878 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 38.098 17.933 12.985 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 38.525 17.310 12.396 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 38.820 18.408 13.396 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 32.448 43.188 38.468 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 33.201 42.609 38.348 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 32.520 43.825 37.757 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 42.491 40.520 47.588 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 43.305 40.296 47.138 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 41.822 40.492 46.904 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 59.720 64.454 36.831 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 60.460 64.116 36.327 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 58.949 64.072 36.412 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 86.585 27.333 59.287 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 86.628 26.378 59.337 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 86.847 27.538 58.389 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 89.796 38.819 9.797 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 90.353 39.250 9.149 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 89.339 38.137 9.305 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 45.753 84.594 24.827 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 45.617 85.273 24.167 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 45.389 84.964 25.631 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 56.245 12.122 -0.662 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 55.926 12.989 -0.412 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 55.991 11.555 0.066 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 87.069 85.095 -12.043 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 86.114 85.150 -12.045 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 87.356 85.924 -11.659 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 41.469 56.441 55.046 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 41.091 56.546 55.919 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 41.579 55.496 54.943 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 46.167 58.287 60.447 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 46.905 57.965 59.930 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 45.488 58.483 59.801 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 48.701 25.887 55.312 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 49.276 26.450 55.829 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 48.973 26.033 54.406 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 52.452 53.119 -9.468 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 51.688 53.645 -9.704 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 52.346 52.948 -8.532 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 23.915 16.012 42.442 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 24.758 15.771 42.057 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 23.288 15.921 41.725 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 90.818 65.067 -2.107 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 89.949 65.039 -2.507 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 91.225 65.853 -2.472 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 34.893 9.035 -17.892 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 34.617 9.060 -18.808 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 34.795 8.118 -17.637 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 79.132 20.306 49.528 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 79.354 21.231 49.417 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 78.860 20.019 48.656 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 74.416 50.770 -11.749 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 73.688 50.149 -11.730 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 74.433 51.147 -10.870 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 64.376 7.922 23.395 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 64.845 8.655 23.792 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 63.458 8.195 23.395 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 83.898 17.887 -15.021 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 84.546 17.484 -14.443 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 83.443 18.520 -14.467 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 50.037 40.383 40.778 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 49.825 40.093 41.665 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 50.032 41.339 40.829 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 90.237 16.718 -9.229 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 89.551 17.317 -8.934 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 90.896 17.286 -9.629 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 29.321 15.643 65.185 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 29.202 14.816 65.652 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 29.137 16.317 65.840 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 50.658 33.226 3.700 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 50.370 32.327 3.542 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 50.479 33.376 4.628 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 39.266 26.053 52.624 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 39.919 26.753 52.596 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 39.777 25.254 52.747 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 41.969 32.943 -10.965 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 41.464 33.058 -10.160 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 42.721 32.411 -10.703 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 64.604 77.796 43.617 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 65.144 77.513 42.878 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 64.911 77.268 44.354 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 26.056 50.849 -11.047 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 25.137 51.072 -11.193 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 26.496 51.695 -10.959 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 36.424 5.087 -17.601 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 36.770 5.926 -17.297 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 35.477 5.221 -17.651 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 32.638 12.833 66.451 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 33.477 12.396 66.307 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 32.496 13.349 65.657 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 52.684 35.039 7.187 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 53.429 34.498 6.923 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 53.028 35.596 7.885 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 58.963 17.825 -6.719 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 58.382 18.584 -6.656 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 58.413 17.132 -7.086 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 51.648 39.836 5.897 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 51.319 40.347 5.157 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 50.999 39.968 6.588 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 62.757 88.620 -7.448 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 61.903 88.361 -7.792 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 62.616 89.496 -7.089 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 50.564 38.395 24.351 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 49.883 39.060 24.250 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 51.073 38.448 23.542 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 62.617 2.590 33.905 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 62.520 2.087 34.714 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 61.846 2.361 33.386 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 84.771 57.961 9.364 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 85.612 57.734 8.967 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 84.337 58.510 8.711 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 46.871 50.817 -3.187 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 47.318 51.340 -3.853 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 46.577 51.455 -2.537 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 68.708 50.725 19.080 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 68.558 50.250 18.263 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 67.890 51.196 19.237 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 32.980 31.645 49.165 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 33.575 30.997 49.541 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 32.201 31.607 49.719 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 88.816 30.132 34.205 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 89.429 29.976 33.487 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 88.952 31.049 34.443 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 76.566 60.134 29.575 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 77.102 60.641 28.966 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 77.139 59.974 30.324 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 84.984 9.967 -15.900 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 85.920 10.040 -15.716 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 84.756 10.795 -16.322 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 41.225 89.781 -10.239 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 41.701 89.367 -10.959 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 41.770 90.527 -9.989 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 79.873 17.662 -10.195 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 80.077 18.015 -9.329 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 79.151 17.052 -10.041 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 76.854 84.431 12.912 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 76.629 84.390 11.982 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 77.794 84.609 12.924 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 29.667 5.156 18.684 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 29.526 4.551 19.412 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 29.989 5.958 19.096 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 20.476 40.747 59.173 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 21.178 40.586 59.804 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 20.468 39.967 58.619 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 52.393 26.209 5.619 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 52.839 27.025 5.393 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 52.916 25.838 6.329 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 51.415 30.704 16.930 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 51.321 31.656 16.975 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 50.546 30.367 17.145 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 40.102 46.663 34.110 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 40.863 47.168 34.397 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 39.732 46.307 34.918 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 69.139 43.548 44.793 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 70.056 43.740 44.596 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 68.643 44.117 44.203 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 67.927 7.867 3.899 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 68.247 8.617 4.401 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 68.697 7.310 3.784 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 35.129 16.424 -4.854 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 34.210 16.654 -4.992 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 35.388 16.924 -4.080 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 39.254 50.348 56.735 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 40.131 50.730 56.763 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 39.028 50.333 55.804 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 50.226 48.484 33.850 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 50.457 48.801 32.977 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 49.338 48.809 33.997 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 38.121 41.290 54.184 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 38.582 41.562 53.390 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 37.629 42.066 54.453 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 83.395 45.402 39.203 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 83.657 44.857 39.946 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 82.485 45.157 39.035 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 62.227 69.963 33.809 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 61.541 70.065 34.469 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 61.808 69.472 33.101 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 66.954 77.607 -11.787 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 67.562 77.619 -12.527 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 66.199 77.113 -12.105 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 25.950 42.600 61.797 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 26.064 43.303 61.158 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 26.603 42.782 62.473 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 86.060 0.797 31.399 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 86.261 -0.138 31.351 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 86.901 1.230 31.254 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 41.298 37.885 3.894 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 41.121 37.882 4.835 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 42.233 38.079 3.826 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 34.559 90.816 -0.220 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 35.371 90.480 0.161 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 34.216 91.420 0.439 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 86.591 63.539 58.695 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 86.140 62.774 58.338 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 87.480 63.478 58.346 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 20.709 11.584 -9.767 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 19.914 12.073 -9.552 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 21.232 12.194 -10.287 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 56.462 41.733 34.467 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 56.349 41.878 35.407 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 55.602 41.918 34.091 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 26.585 34.274 48.557 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 26.980 34.703 47.797 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 25.916 33.698 48.186 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 54.049 40.560 58.858 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 53.966 41.497 58.683 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 54.684 40.250 58.212 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 34.053 11.119 63.005 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 34.605 11.530 63.670 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 33.163 11.198 63.350 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 84.697 90.877 38.784 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 85.572 91.256 38.859 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 84.301 91.015 39.644 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 75.948 30.020 36.968 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 75.232 30.411 37.468 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 76.658 29.921 37.602 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 47.187 71.739 5.643 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 47.752 71.775 4.871 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 47.738 71.358 6.327 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 72.644 55.060 -4.510 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 73.142 54.770 -3.746 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 72.817 54.395 -5.176 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 77.479 66.125 33.774 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 77.494 65.365 33.193 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 76.573 66.176 34.080 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 44.215 33.678 51.028 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 44.908 33.224 51.507 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 44.555 34.563 50.894 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 66.628 14.042 32.564 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 66.294 13.316 32.037 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 66.783 13.659 33.428 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 43.312 90.133 1.189 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 43.777 90.940 1.411 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 42.663 90.031 1.884 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 29.633 53.916 50.794 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 28.996 53.474 51.354 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 29.242 54.771 50.614 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 40.753 34.748 37.934 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 40.915 34.625 38.869 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 40.639 35.693 37.833 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 75.463 16.115 55.308 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 75.195 16.247 54.398 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 74.641 16.007 55.787 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 48.998 69.540 1.634 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 49.843 69.385 2.056 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 48.524 68.714 1.735 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 65.050 20.289 49.108 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 64.926 20.158 50.048 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 64.918 21.228 48.977 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 47.441 15.477 55.494 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 48.379 15.610 55.353 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 47.356 15.348 56.439 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 84.367 87.168 -10.715 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 84.676 87.441 -9.851 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 83.549 86.703 -10.541 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 64.528 25.666 14.140 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 64.734 25.306 15.003 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 63.614 25.424 13.991 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 44.459 0.334 -3.234 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 44.090 -0.545 -3.153 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 44.074 0.824 -2.508 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 39.995 70.240 33.886 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 39.905 71.119 34.253 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 40.930 70.046 33.953 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 38.781 35.313 -18.738 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 39.119 36.200 -18.861 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 39.386 34.910 -18.114 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 40.085 46.560 38.877 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 40.335 46.833 39.760 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 39.267 47.027 38.704 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 32.841 49.225 41.960 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 32.891 50.004 42.515 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 32.286 49.489 41.226 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 52.130 52.225 23.858 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 52.924 51.809 23.522 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 51.532 52.240 23.111 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 32.570 21.873 7.082 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 32.437 21.613 7.993 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 32.523 22.829 7.095 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 39.917 96.564 36.830 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 40.468 96.591 36.048 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 39.882 95.637 37.067 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 25.015 64.756 52.326 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 25.669 64.313 51.785 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 25.467 64.939 53.149 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 21.296 56.585 32.819 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 22.165 56.551 32.419 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 20.710 56.230 32.151 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 36.763 69.307 9.397 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 36.620 70.253 9.361 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 37.696 69.212 9.584 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 90.713 1.800 -5.840 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 90.693 0.975 -6.325 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 90.272 2.427 -6.413 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 63.538 4.475 65.929 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 63.909 3.687 66.328 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 62.917 4.145 65.280 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 54.285 37.696 39.544 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 53.403 37.324 39.558 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 54.538 37.679 38.621 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 88.907 83.038 16.483 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 89.398 82.515 17.117 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 88.910 82.510 15.684 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 27.246 37.050 28.353 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 27.896 37.501 27.814 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 27.702 36.276 28.683 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 65.058 48.779 -16.092 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 64.982 48.120 -15.402 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 65.628 49.451 -15.719 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 61.672 63.569 35.527 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 61.623 63.978 34.662 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 61.457 62.650 35.370 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 68.941 76.155 53.408 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 68.640 76.227 52.502 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 69.634 75.495 53.378 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 32.160 69.505 6.628 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 31.368 69.245 7.099 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 32.458 70.296 7.078 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 20.368 89.267 31.826 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 20.143 88.495 31.306 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 21.259 89.488 31.556 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 48.892 19.839 -0.605 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 49.551 20.480 -0.871 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 48.056 20.247 -0.832 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 77.609 69.100 1.288 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 77.293 69.000 2.186 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 77.544 68.222 0.912 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 66.549 33.071 29.425 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 65.964 33.066 28.668 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 66.684 33.999 29.618 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 65.293 2.027 0.064 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 65.010 2.468 0.865 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 64.852 2.501 -0.640 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 21.389 5.719 59.929 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 22.149 5.458 59.409 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 21.737 5.852 60.811 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 34.162 34.286 7.363 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 33.723 35.137 7.348 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 34.760 34.338 8.109 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 22.073 65.866 -15.653 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 22.675 66.223 -16.306 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 21.401 66.541 -15.553 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 40.547 29.658 48.157 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 40.406 29.828 47.226 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 40.603 28.704 48.221 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 32.276 14.659 -9.763 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 31.456 14.219 -9.988 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 32.374 15.339 -10.429 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 76.404 69.904 11.141 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 75.455 69.886 11.269 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 76.516 70.008 10.196 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 37.440 77.366 19.867 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 36.579 77.135 19.517 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 37.887 76.527 19.978 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 49.027 64.866 -7.230 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 48.534 65.081 -6.438 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 48.728 65.503 -7.879 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 32.171 57.056 -8.686 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 32.528 57.501 -7.917 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 31.222 57.098 -8.568 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 52.915 48.500 1.364 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 53.829 48.342 1.604 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 52.701 49.337 1.777 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 54.692 72.291 44.479 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 53.929 71.790 44.769 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 55.168 71.692 43.905 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 89.856 29.797 49.589 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 90.134 28.916 49.839 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 90.245 30.368 50.252 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 63.917 69.016 24.841 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 63.749 68.424 24.108 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 63.050 69.204 25.201 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 35.375 40.879 -4.520 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 36.077 41.509 -4.684 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 34.936 40.783 -5.366 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 59.206 14.302 15.315 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 59.267 14.389 16.266 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 58.322 14.602 15.103 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 50.204 39.620 64.817 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 50.175 39.996 63.937 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 50.097 40.369 65.402 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 34.899 86.538 48.743 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 34.588 87.417 48.963 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 34.273 86.219 48.092 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 43.671 18.910 -12.771 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 42.835 18.898 -12.304 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 43.960 17.997 -12.768 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 85.022 80.407 -15.038 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 84.512 80.816 -14.338 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 85.896 80.296 -14.665 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 52.719 61.355 66.942 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 52.715 60.414 67.120 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 52.908 61.421 66.005 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 42.760 44.745 54.992 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 42.080 44.927 55.641 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 42.414 45.105 54.175 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 41.648 66.331 -14.421 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 40.800 66.760 -14.536 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 41.854 65.972 -15.284 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 69.206 31.496 -11.942 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 69.937 31.048 -12.366 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 69.534 31.719 -11.070 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 36.652 49.384 -11.269 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 36.802 50.270 -10.938 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 37.517 48.976 -11.266 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 27.720 22.798 28.860 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 28.165 22.930 28.023 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 27.496 23.680 29.155 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 55.224 54.400 12.481 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 55.517 55.205 12.907 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 54.280 54.377 12.635 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 28.522 5.162 -12.990 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 28.900 5.127 -13.868 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 28.781 6.018 -12.650 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 38.212 35.085 -2.033 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 38.763 34.324 -1.856 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 38.666 35.814 -1.610 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 32.114 29.215 13.562 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 32.129 29.975 12.981 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 31.403 29.396 14.176 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 27.594 62.509 42.055 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 28.069 62.230 41.272 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 26.897 63.075 41.723 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 67.315 73.919 21.421 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 67.006 74.143 20.543 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 67.117 72.988 21.516 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 78.054 56.712 33.743 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 77.153 56.513 33.491 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 78.063 56.617 34.695 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 55.358 22.793 -16.423 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 54.952 22.670 -15.565 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 55.773 23.654 -16.371 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 21.577 46.602 -17.079 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 21.455 45.983 -17.798 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 22.491 46.490 -16.818 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 47.564 57.944 -10.550 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 47.291 58.861 -10.515 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 48.193 57.908 -11.270 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 52.721 63.863 55.073 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 52.385 64.032 54.192 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 53.367 63.167 54.954 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 86.166 91.481 50.556 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 86.655 91.644 49.750 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 85.960 90.547 50.527 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 25.519 47.979 5.851 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 25.264 48.247 4.968 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 26.187 47.307 5.714 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 49.567 0.817 52.728 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 49.850 0.262 53.454 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 49.157 0.213 52.109 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 48.494 56.503 -8.639 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 49.175 57.162 -8.503 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 47.923 56.883 -9.308 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 51.723 69.154 -12.232 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 51.024 69.575 -12.733 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 51.264 68.606 -11.595 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 49.256 84.573 15.494 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 48.946 83.671 15.570 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 49.662 84.760 16.341 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 38.063 78.802 -0.114 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 37.917 79.686 -0.451 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 38.697 78.416 -0.718 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 52.946 41.170 23.764 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 53.782 41.356 23.338 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 52.329 41.051 23.041 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 77.090 69.865 27.434 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 77.607 69.119 27.129 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 76.594 70.145 26.665 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 24.220 69.166 29.403 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 23.625 69.730 28.908 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 25.028 69.161 28.890 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 72.170 78.178 30.718 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 71.910 78.186 31.639 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 72.581 77.323 30.592 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 79.629 9.429 7.007 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 80.241 9.385 7.742 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 79.859 10.240 6.552 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 29.124 41.459 -0.349 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 28.481 42.155 -0.217 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 29.874 41.898 -0.750 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 49.708 60.795 55.459 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 48.941 60.224 55.414 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 50.161 60.654 54.628 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 55.896 56.317 17.240 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 55.211 56.853 17.641 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 56.548 56.949 16.938 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 51.636 75.042 -17.485 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 50.779 75.467 -17.512 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 51.673 74.631 -16.621 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 74.198 51.734 -9.267 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 74.083 52.508 -8.716 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 74.595 51.084 -8.687 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 49.643 79.909 2.271 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 49.218 79.058 2.379 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 50.030 80.094 3.127 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 88.505 12.516 -8.887 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 88.481 13.443 -8.648 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 88.471 12.052 -8.050 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 59.348 40.163 -8.101 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 58.863 40.215 -7.277 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 60.196 39.793 -7.856 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 46.089 52.280 -0.977 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 46.083 52.934 -0.277 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 45.538 51.571 -0.647 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 80.907 90.950 9.538 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 81.437 90.171 9.702 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 80.003 90.639 9.583 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 32.363 47.545 18.386 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 32.306 48.345 18.909 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 33.300 47.348 18.351 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 83.047 54.361 44.288 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 83.059 55.092 43.670 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 83.771 54.541 44.887 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 35.654 73.478 53.395 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 36.185 74.125 53.859 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 35.037 73.999 52.880 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 71.285 53.920 9.437 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 70.424 54.328 9.341 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 71.315 53.260 8.746 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 51.882 88.072 34.094 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 50.966 87.818 34.207 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 52.289 87.884 34.940 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 54.024 20.411 30.699 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 54.947 20.159 30.738 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 53.891 20.696 29.795 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 40.516 65.009 -9.555 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 40.699 65.842 -9.120 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 40.708 64.346 -8.892 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 34.160 9.409 21.240 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 34.721 10.180 21.164 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 33.347 9.740 21.621 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 69.703 15.259 57.451 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 69.361 16.153 57.452 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 69.993 15.112 58.351 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 81.768 59.836 19.729 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 81.383 60.713 19.721 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 81.197 59.329 20.306 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 70.739 27.483 7.980 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 69.831 27.524 7.680 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 71.030 28.395 7.989 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 45.405 8.156 41.477 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 46.303 7.991 41.766 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 45.402 7.912 40.552 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 50.999 83.982 47.583 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 51.783 83.965 48.132 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 51.317 84.240 46.718 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 63.086 2.008 53.849 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 62.414 1.901 54.522 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 63.249 2.951 53.821 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 64.290 72.413 -0.944 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 63.750 73.004 -1.468 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 63.681 71.743 -0.632 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 44.841 91.747 13.904 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 45.392 91.407 14.609 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 44.072 91.178 13.905 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 66.258 82.651 -15.715 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 66.327 82.951 -16.621 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 67.043 82.121 -15.577 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 22.682 6.858 11.489 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 22.704 7.659 12.013 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 23.579 6.527 11.519 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 25.313 73.816 5.378 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 25.725 73.329 6.092 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 24.426 73.994 5.690 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 49.965 61.102 0.740 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 50.807 61.553 0.676 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 50.193 60.195 0.945 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 26.035 52.466 27.343 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 26.818 52.425 26.795 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 25.550 51.669 27.129 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 50.699 78.781 26.793 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 49.770 78.796 26.565 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 50.965 77.871 26.659 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 71.188 60.762 62.978 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 70.906 60.748 63.892 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 70.374 60.821 62.477 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 48.537 95.465 59.742 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 48.576 95.605 60.688 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 48.934 96.251 59.366 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 23.357 27.047 50.506 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 22.481 27.261 50.183 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 23.334 27.282 51.434 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 28.655 16.606 41.667 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 29.447 16.120 41.435 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 27.947 16.135 41.228 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 44.342 43.516 41.804 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 44.025 44.197 41.211 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 44.039 42.696 41.414 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 89.705 90.275 59.017 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 89.746 89.459 59.515 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 90.507 90.741 59.254 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 32.653 75.701 0.995 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 32.595 76.406 1.641 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 33.380 75.158 1.297 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 56.794 22.941 4.601 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 57.253 23.758 4.410 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 56.477 23.048 5.498 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 42.627 75.476 -15.142 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 42.901 74.897 -15.854 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 41.917 75.003 -14.708 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 69.023 73.658 2.435 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 68.843 73.383 1.536 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 69.353 72.869 2.865 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 20.981 23.523 -10.406 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 20.403 23.915 -9.752 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 21.723 24.125 -10.461 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 72.774 31.317 13.418 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 72.005 31.317 12.848 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 72.429 31.511 14.289 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 46.982 40.291 59.716 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 46.180 40.613 60.128 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 46.790 40.301 58.778 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 41.725 13.795 55.701 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 41.833 13.214 56.454 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 41.889 14.672 56.049 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 31.641 6.740 -2.467 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 31.022 6.224 -1.950 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 31.330 6.655 -3.369 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 26.270 19.672 56.622 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 26.111 19.064 55.900 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 26.848 20.339 56.252 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 49.326 5.506 47.893 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 48.791 6.198 48.283 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 48.725 4.768 47.790 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 67.360 78.806 20.103 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 68.021 79.117 19.485 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 67.736 78.008 20.475 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 69.206 28.837 40.925 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 69.001 29.149 40.044 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 68.353 28.722 41.344 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 60.010 79.409 64.935 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 60.263 78.489 64.856 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 60.803 79.850 65.240 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 24.890 82.269 32.873 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 25.095 81.361 32.650 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 24.330 82.571 32.157 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 72.919 28.314 24.907 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 73.394 28.103 25.711 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 73.500 28.910 24.435 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 46.870 91.363 53.278 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 46.606 91.800 52.468 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 46.617 90.448 53.150 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 52.634 40.105 -10.443 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 51.989 39.555 -9.999 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 52.569 40.953 -10.005 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 51.184 29.570 34.579 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 51.003 29.786 33.664 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 50.372 29.778 35.040 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 65.364 84.308 64.389 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 65.038 85.162 64.671 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 64.580 83.829 64.120 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 29.570 28.067 -17.845 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 29.340 28.835 -17.322 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 29.636 28.399 -18.741 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 48.649 76.348 47.888 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 49.539 76.108 47.631 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 48.103 76.068 47.154 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 63.909 31.063 3.547 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 63.455 30.337 3.976 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 63.587 31.845 3.994 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 71.145 76.027 -15.764 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 71.347 75.648 -14.909 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 70.340 75.587 -16.038 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 35.306 63.743 16.928 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 35.715 62.950 16.582 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 36.035 64.257 17.275 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 20.834 87.521 -18.318 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 20.914 87.821 -17.413 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 21.731 87.320 -18.586 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 65.726 21.818 28.899 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 65.542 22.724 29.147 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 66.340 21.889 28.168 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 58.185 21.519 -4.482 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 59.097 21.719 -4.269 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 57.717 22.340 -4.329 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 86.773 65.338 0.451 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 86.468 64.490 0.775 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 87.726 65.252 0.415 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 68.570 71.331 40.256 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 68.494 70.798 41.048 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 68.878 70.722 39.585 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 46.489 1.242 14.537 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 47.236 1.791 14.298 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 46.842 0.619 15.172 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 54.005 80.916 -5.476 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 54.522 80.122 -5.343 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 53.719 80.867 -6.388 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 43.633 32.706 61.916 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 42.755 33.032 61.716 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 44.130 33.488 62.156 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 56.194 40.331 -12.212 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 55.603 40.004 -12.890 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 56.366 39.571 -11.656 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 90.497 1.639 -18.366 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 90.984 1.156 -17.698 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 90.235 2.451 -17.931 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 58.100 91.468 53.076 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 57.263 91.337 53.523 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 58.070 90.868 52.331 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 63.248 79.257 8.184 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 63.639 78.885 8.974 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 62.453 78.742 8.043 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 66.398 13.796 14.628 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 65.866 13.154 14.157 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 65.846 14.075 15.359 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 32.395 23.645 -12.100 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 31.771 22.970 -12.365 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 31.966 24.470 -12.326 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 60.490 88.212 6.756 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 59.894 87.767 7.358 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 61.057 87.518 6.422 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 22.506 93.014 15.002 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 22.861 92.568 15.771 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 23.229 93.552 14.681 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 60.848 7.460 -8.530 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 60.968 7.552 -7.585 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 59.974 7.079 -8.625 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 30.385 91.039 8.879 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 29.908 91.854 8.725 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 30.357 90.921 9.829 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 46.234 90.058 -14.608 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 45.849 90.248 -13.752 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 46.787 90.816 -14.796 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 87.436 90.307 12.531 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 86.523 90.530 12.349 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 87.498 90.310 13.486 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 69.195 76.034 45.887 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 70.043 75.670 46.138 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 68.756 76.218 46.717 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 32.831 61.093 29.885 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 33.489 61.720 30.184 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 33.281 60.569 29.223 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 40.229 91.176 36.792 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 40.122 91.490 37.689 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 40.924 90.520 36.849 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 67.677 6.863 23.014 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 68.248 6.480 23.681 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 67.166 7.521 23.484 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 64.116 54.386 -1.523 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 64.409 55.111 -0.970 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 63.382 54.001 -1.044 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 28.745 45.421 30.403 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 28.728 45.726 29.496 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 29.540 44.892 30.464 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 45.313 17.298 39.080 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 45.846 17.998 38.703 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 44.645 17.123 38.418 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 23.838 66.993 57.320 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 23.194 67.244 57.981 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 23.700 67.611 56.603 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 84.127 25.709 1.393 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 83.214 25.983 1.484 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 84.446 26.190 0.629 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 38.256 47.486 4.719 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 38.487 46.685 5.189 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 38.478 48.192 5.325 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 63.878 78.241 15.733 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 63.415 79.000 15.378 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 63.223 77.542 15.737 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 32.577 5.865 1.115 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 31.978 6.400 1.636 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 33.447 6.211 1.319 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 81.601 3.042 -13.647 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 81.827 2.116 -13.735 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 80.847 3.051 -13.057 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 67.482 56.563 5.667 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 67.973 57.206 6.180 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 66.748 56.317 6.230 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 29.717 1.206 36.806 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 30.125 0.340 36.802 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 29.142 1.197 37.571 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 38.623 53.553 6.593 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 38.577 52.735 6.097 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 38.876 54.212 5.946 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 67.161 66.106 63.587 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 67.891 66.479 64.081 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 67.578 65.613 62.880 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 40.802 44.232 5.142 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 41.544 43.994 5.698 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 40.860 45.183 5.057 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 47.866 40.087 13.255 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 46.931 39.917 13.142 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 48.164 39.401 13.853 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 68.823 31.649 -17.784 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 68.147 31.948 -18.391 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 68.338 31.319 -17.028 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 29.900 93.280 65.677 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 29.329 93.457 64.930 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 30.282 92.422 65.489 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 27.908 75.977 27.492 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 28.448 75.188 27.439 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 27.153 75.789 26.934 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 28.598 32.712 20.598 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 29.072 33.517 20.808 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 28.354 32.811 19.678 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 77.058 91.711 61.540 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 76.479 92.457 61.696 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 77.928 92.027 61.786 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 69.213 81.795 30.291 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 68.294 82.058 30.340 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 69.236 80.927 30.694 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 69.166 69.582 -9.617 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 69.261 68.742 -9.169 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 68.242 69.809 -9.510 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 84.394 28.806 36.514 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 83.815 28.889 35.756 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 84.264 27.908 36.819 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 28.353 94.477 -17.284 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 27.415 94.618 -17.157 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 28.728 94.552 -16.407 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 52.724 44.280 36.491 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 52.136 43.756 35.947 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 52.151 44.913 36.924 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 44.881 90.396 38.510 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 45.404 89.703 38.914 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 45.249 90.494 37.632 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 74.342 1.971 -5.505 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 75.175 1.702 -5.117 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 74.582 2.345 -6.353 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 67.362 74.849 27.944 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 67.022 74.971 27.058 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 66.637 74.453 28.428 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 51.221 81.847 21.909 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 51.919 81.558 22.497 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 50.424 81.790 22.437 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 64.703 6.200 60.684 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 64.405 5.977 59.802 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 63.906 6.198 61.214 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 36.028 8.887 32.819 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 35.124 9.123 33.030 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 35.992 7.951 32.623 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 49.739 14.009 37.414 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 49.079 14.141 38.095 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 50.326 13.344 37.775 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 51.755 83.959 12.912 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 50.916 84.419 12.901 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 51.587 83.142 12.441 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 34.723 26.929 57.702 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 35.296 26.326 57.229 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 35.318 27.570 58.091 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 30.741 76.601 44.443 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 30.945 76.441 43.521 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 29.888 76.189 44.575 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 29.880 17.071 62.976 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 29.831 16.525 63.761 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 30.219 17.910 63.289 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 33.368 11.904 44.007 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 32.804 11.195 43.698 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 34.226 11.711 43.628 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 57.252 5.890 -12.063 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 57.617 5.098 -12.456 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 57.565 5.875 -11.158 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 81.335 7.717 -11.342 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 82.054 7.086 -11.359 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 81.755 8.554 -11.144 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 40.087 42.231 42.658 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 40.127 42.967 42.048 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 40.718 42.453 43.343 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 64.513 85.602 50.057 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 63.623 85.474 49.729 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 64.966 86.060 49.349 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 33.126 8.540 55.223 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 32.267 8.137 55.348 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 33.746 7.891 55.555 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 63.930 91.160 19.510 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 63.015 91.207 19.231 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 64.231 92.069 19.499 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 89.143 76.357 36.499 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 89.991 76.273 36.063 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 88.536 75.873 35.939 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 28.205 63.714 -12.052 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 28.717 63.122 -12.604 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 28.201 64.544 -12.529 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 38.058 14.770 29.421 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 38.327 13.869 29.596 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 37.147 14.698 29.134 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 24.000 5.975 35.238 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 24.615 5.275 35.457 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 24.394 6.413 34.484 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 57.736 12.326 49.787 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 57.378 11.882 49.018 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 57.087 12.176 50.474 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 35.796 3.929 15.823 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 34.965 3.627 16.189 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 36.099 4.600 16.436 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 52.800 43.530 49.875 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 52.896 43.350 48.940 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 52.161 42.886 50.179 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 87.703 28.767 -9.078 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 86.796 28.737 -9.382 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 88.168 29.260 -9.754 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 88.438 8.497 7.356 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 87.622 8.445 6.858 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 89.109 8.680 6.699 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 77.194 89.302 1.707 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 77.191 90.258 1.767 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 76.351 89.084 1.311 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 87.138 93.238 45.158 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 86.743 93.762 44.461 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 86.393 92.884 45.644 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 48.337 19.998 35.367 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 48.522 19.602 34.515 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 48.727 19.397 36.001 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 85.718 78.538 -9.966 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 85.246 78.383 -9.148 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 85.071 78.373 -10.652 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 51.327 78.724 11.124 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 50.800 77.965 11.375 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 52.233 78.425 11.205 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 83.619 6.189 58.451 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 83.388 7.117 58.484 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 84.087 6.029 59.271 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 63.251 12.549 3.908 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 63.087 12.786 4.821 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 63.158 13.371 3.427 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 72.517 26.808 47.395 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 72.318 26.666 48.321 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 72.779 27.727 47.344 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 73.896 22.233 -1.045 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 74.358 22.728 -1.723 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 74.588 21.928 -0.458 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 69.350 92.330 31.046 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 69.319 91.839 30.225 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 68.618 91.987 31.558 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 63.923 12.789 10.638 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 64.653 12.834 11.255 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 63.193 12.447 11.155 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 49.576 3.770 44.920 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 49.934 3.431 45.740 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 50.245 3.573 44.265 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 42.275 18.049 25.089 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 41.690 17.292 25.113 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 42.683 18.010 24.224 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 24.468 26.437 -3.996 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 25.278 26.294 -4.485 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 24.253 27.357 -4.150 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 87.899 50.524 -9.703 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 87.660 50.884 -10.558 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 88.765 50.140 -9.838 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 74.359 23.632 14.493 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 74.538 23.670 13.553 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 73.598 23.056 14.568 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 78.167 32.436 51.629 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 77.450 31.892 51.305 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 78.589 32.773 50.838 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 77.995 38.798 21.122 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 77.923 39.695 20.796 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 77.345 38.307 20.618 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 83.321 46.030 47.360 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 82.857 46.811 47.059 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 82.903 45.307 46.892 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 42.154 75.268 65.582 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 41.761 75.790 64.883 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 42.421 74.455 65.153 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 56.422 8.806 63.176 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 56.517 7.900 63.469 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 57.215 8.979 62.670 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 26.301 1.899 -3.503 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 26.644 1.784 -4.389 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 26.135 2.839 -3.430 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 63.188 49.829 -9.875 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 63.804 50.546 -9.727 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 62.454 50.019 -9.291 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 43.585 4.734 59.819 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 43.575 3.903 59.343 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 43.296 5.382 59.177 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 66.798 19.011 33.692 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 66.520 19.827 33.275 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 67.331 18.573 33.029 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 37.342 40.642 39.349 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 37.061 39.754 39.570 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 38.264 40.549 39.109 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 90.420 14.728 40.892 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 89.793 15.438 40.749 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 90.568 14.726 41.838 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 23.288 70.537 -5.889 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 22.362 70.312 -5.800 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 23.629 70.508 -4.995 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 57.217 23.267 12.786 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 56.322 23.294 12.446 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 57.130 23.512 13.708 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 56.471 12.480 58.351 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 56.698 11.607 58.671 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 55.520 12.456 58.243 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 67.114 16.256 30.617 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 67.007 15.621 31.325 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 66.221 16.466 30.346 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 64.553 28.303 0.261 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 65.213 28.042 0.904 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 64.579 29.260 0.266 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 74.986 48.352 21.891 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 74.401 47.951 22.534 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 75.003 47.732 21.163 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 35.790 5.000 25.721 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 36.490 5.606 25.964 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 35.466 5.331 24.884 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 85.074 3.732 0.372 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 84.816 3.880 1.282 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 85.925 4.164 0.290 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 82.562 7.455 42.244 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 82.051 7.210 43.015 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 82.745 8.387 42.364 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 41.216 52.160 51.447 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 41.563 51.809 50.627 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 41.130 53.100 51.288 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 64.149 4.452 53.836 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 64.770 4.402 53.108 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 64.600 4.972 54.501 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 31.284 7.911 2.526 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 31.797 8.718 2.543 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 30.472 8.152 2.080 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 38.990 68.269 -10.436 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 39.466 68.089 -9.625 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 38.073 68.104 -10.217 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 38.247 73.319 2.393 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 38.208 73.145 3.333 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 39.053 72.892 2.102 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 39.421 33.329 0.117 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 40.176 33.793 0.480 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 39.758 32.463 -0.110 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 81.135 17.396 1.746 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 81.536 18.215 1.454 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 81.250 17.398 2.696 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 60.805 43.521 41.418 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 61.064 43.264 40.533 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 61.505 43.187 41.979 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 32.318 76.238 59.878 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 31.662 75.543 59.921 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 32.916 76.048 60.601 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 59.312 7.091 20.363 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 59.874 7.125 19.589 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 58.478 7.459 20.071 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 38.335 15.703 21.877 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 38.958 16.053 21.240 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 37.670 15.264 21.346 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 87.377 36.940 17.600 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 88.169 36.402 17.590 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 86.683 36.341 17.878 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 52.382 35.635 -3.045 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 52.184 36.500 -3.405 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 51.944 35.623 -2.195 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 41.105 56.740 48.835 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 41.040 57.657 49.102 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 41.834 56.721 48.215 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 80.907 94.825 -1.980 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 80.615 95.055 -1.098 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 81.849 94.682 -1.891 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 40.134 41.781 37.324 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 40.303 41.619 36.396 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 40.336 42.709 37.446 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 38.349 82.712 20.638 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 38.973 81.991 20.548 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 38.886 83.503 20.580 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 88.510 18.436 -7.581 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 89.307 18.936 -7.405 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 88.148 18.249 -6.715 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 29.936 5.834 63.810 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 30.521 5.737 63.059 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 29.182 6.313 63.468 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 54.194 27.792 44.141 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 54.109 28.009 45.069 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 55.138 27.719 43.997 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 37.194 69.213 25.743 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 37.725 68.726 25.113 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 37.825 69.545 26.383 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 66.087 73.253 47.415 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 66.937 73.039 47.800 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 65.676 72.404 47.254 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 63.368 36.100 56.687 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 62.749 36.721 56.302 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 62.920 35.766 57.464 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 83.821 73.451 -7.219 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 82.899 73.261 -7.392 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 83.909 73.372 -6.269 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 86.674 64.161 14.416 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 87.464 64.504 14.833 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 86.979 63.796 13.586 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 31.162 22.201 65.610 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 30.409 22.547 66.089 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 30.803 21.919 64.769 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 67.759 94.893 59.942 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 68.682 95.084 60.106 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 67.696 93.940 60.005 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 40.741 64.310 11.880 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 41.151 63.559 12.309 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 41.418 64.651 11.295 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 77.303 76.158 15.668 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 76.411 75.836 15.795 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 77.289 76.569 14.803 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 30.387 30.304 -4.580 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 30.893 30.183 -3.776 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 30.292 31.252 -4.663 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 41.148 12.653 10.903 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 41.532 12.431 10.054 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 41.025 11.810 11.338 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 74.205 36.411 44.472 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 74.678 37.222 44.286 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 74.892 35.765 44.638 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 59.932 73.792 43.083 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 59.082 74.081 42.750 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 59.720 73.244 43.838 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 83.371 44.369 -15.201 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 82.748 44.994 -14.831 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 82.902 43.967 -15.932 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 66.760 7.716 9.985 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 65.855 7.582 10.268 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 67.289 7.294 10.663 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 62.655 80.920 -13.396 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 62.860 80.824 -12.467 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 63.329 81.511 -13.731 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 40.573 31.497 -12.743 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 41.185 31.266 -13.441 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 41.086 32.039 -12.144 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 31.668 40.041 14.454 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 32.598 39.916 14.264 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 31.462 40.901 14.088 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 28.584 87.146 -10.854 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 29.241 86.747 -11.424 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 28.863 88.058 -10.769 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 38.394 87.275 46.506 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 37.941 87.898 47.074 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 38.008 87.414 45.641 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 44.007 10.608 -4.227 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 43.940 11.408 -4.749 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 43.981 10.912 -3.319 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 22.990 25.060 -6.716 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 22.411 25.336 -6.005 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 23.863 25.052 -6.324 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 39.133 65.746 28.415 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 38.777 65.140 27.766 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 40.071 65.774 28.227 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 54.460 16.478 -3.506 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 54.865 17.033 -4.172 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 54.157 17.090 -2.835 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 20.489 33.695 65.325 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 20.045 34.071 64.565 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 20.624 34.437 65.915 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 63.767 56.533 -3.634 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 64.182 55.691 -3.445 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 62.844 56.320 -3.771 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 60.367 74.760 48.760 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 60.288 73.858 49.071 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 61.115 74.743 48.164 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 60.108 14.590 60.697 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 60.699 13.908 60.379 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 59.269 14.145 60.815 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 47.675 50.251 -13.266 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 48.413 50.833 -13.445 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 47.253 50.629 -12.494 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 27.819 57.195 46.723 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 27.730 56.262 46.528 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 28.354 57.223 47.517 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 76.177 28.530 15.405 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 75.678 27.736 15.596 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 77.033 28.378 15.804 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 23.288 30.334 12.939 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 23.984 30.701 13.484 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 23.737 30.019 12.155 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 80.279 46.081 28.551 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 80.854 46.262 27.808 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 80.572 46.685 29.233 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 82.528 7.164 0.263 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 82.677 6.414 -0.313 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 82.080 7.805 -0.289 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 73.529 5.200 47.896 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 74.079 4.469 47.613 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 72.641 4.944 47.644 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 62.079 10.939 11.913 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 61.222 10.790 12.313 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 61.962 10.689 10.996 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 50.610 11.491 64.042 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 51.329 10.923 64.317 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 51.040 12.286 63.725 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 40.374 24.426 16.968 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 40.218 25.368 17.042 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 40.945 24.338 16.204 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 82.337 10.182 64.973 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 81.533 9.828 64.594 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 82.976 10.140 64.261 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 50.654 73.366 24.486 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 50.214 74.184 24.256 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 50.603 72.835 23.692 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 74.091 22.735 31.923 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 74.670 22.001 31.718 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 73.682 22.959 31.087 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 67.738 73.893 61.393 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 68.285 73.659 62.142 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 67.998 74.788 61.175 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 69.379 14.893 50.047 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 69.749 15.025 49.174 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 68.590 15.434 50.057 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 53.988 22.962 -1.885 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 53.213 23.460 -1.624 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 54.382 22.682 -1.059 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 61.488 35.086 8.901 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 60.532 35.121 8.940 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 61.779 35.762 9.512 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 80.070 84.884 26.338 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 79.227 84.448 26.212 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 80.714 84.263 25.997 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 42.049 57.858 12.194 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 42.664 57.299 12.670 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 42.009 58.663 12.711 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 66.366 79.022 65.280 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 66.063 79.687 65.899 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 65.564 78.666 64.899 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 87.647 51.575 -7.146 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 87.835 51.379 -8.064 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 87.187 50.800 -6.824 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 36.320 32.269 43.373 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 36.125 31.871 44.221 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 36.476 31.527 42.789 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 47.777 9.279 20.000 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 47.231 9.714 19.346 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 47.630 8.344 19.852 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 68.794 52.794 35.221 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 68.227 53.173 35.893 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 69.240 53.547 34.831 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 33.540 44.271 -2.033 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 33.599 45.219 -1.918 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 34.288 43.923 -1.548 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 68.227 0.651 13.556 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 67.986 1.031 14.401 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 68.975 0.085 13.752 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 69.749 68.094 0.285 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 70.635 68.406 0.470 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 69.198 68.542 0.926 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 47.026 13.414 15.244 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 47.047 14.041 15.967 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 47.718 13.708 14.652 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 90.336 30.721 52.456 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 89.756 30.560 53.200 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 90.303 31.669 52.327 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 90.329 83.087 -1.390 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 90.181 83.988 -1.677 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 91.110 83.136 -0.839 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 38.458 85.400 33.683 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 37.507 85.476 33.748 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 38.606 84.514 33.351 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 89.450 26.894 10.391 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 90.321 27.221 10.616 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 89.424 26.009 10.754 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 79.478 28.887 65.134 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 79.629 29.256 66.004 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 79.137 29.618 64.619 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 33.974 35.321 -4.395 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 34.803 35.783 -4.270 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 34.227 34.408 -4.530 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 54.168 67.589 -3.335 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 54.959 67.076 -3.170 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 53.566 67.333 -2.637 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 71.341 24.607 34.611 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 71.935 23.954 34.983 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 71.908 25.180 34.095 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 83.254 54.031 3.720 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 83.420 54.159 2.786 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 84.083 54.249 4.144 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 48.983 58.484 2.257 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 49.002 59.282 2.785 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 49.776 58.010 2.509 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 31.965 63.818 38.320 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 32.496 64.406 37.784 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 31.912 64.252 39.172 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 39.630 74.518 29.923 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 39.970 74.325 30.797 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 39.842 73.741 29.406 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 54.482 19.666 17.213 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 53.835 20.016 16.602 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 54.135 19.880 18.079 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 85.172 87.887 16.858 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 84.295 87.512 16.781 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 85.132 88.428 17.647 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 57.825 28.758 20.902 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 56.997 29.098 21.242 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 58.302 29.536 20.612 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 28.585 54.583 47.684 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 28.205 53.838 48.151 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 29.273 54.200 47.140 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 89.643 35.278 -5.725 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 89.262 34.541 -5.249 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 89.551 36.022 -5.129 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 85.609 31.427 64.991 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 85.794 31.433 64.052 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 84.677 31.216 65.051 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 44.005 60.069 0.755 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 44.534 60.795 1.086 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 43.533 59.747 1.523 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 80.650 35.485 -6.787 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 80.782 35.396 -7.731 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 81.521 35.360 -6.410 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 87.552 70.076 14.169 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 88.075 70.784 13.793 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 88.084 69.740 14.889 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 23.078 81.333 30.718 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 22.390 81.952 30.961 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 23.227 81.494 29.786 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 61.712 18.362 -7.078 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 60.798 18.450 -6.810 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 61.683 18.363 -8.035 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 42.056 40.758 -4.081 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 42.972 40.990 -3.926 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 42.088 40.111 -4.785 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 66.544 83.701 27.361 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 67.193 84.404 27.328 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 65.820 84.017 26.819 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 86.551 21.641 66.019 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 85.889 20.957 66.116 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 87.123 21.531 66.779 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 64.459 52.492 10.767 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 64.256 52.871 11.622 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 63.740 51.883 10.599 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 29.385 43.513 -18.913 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 29.039 44.402 -18.986 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 28.732 43.043 -18.395 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 90.435 20.895 -7.266 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 90.202 20.543 -6.407 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 91.341 20.617 -7.402 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 84.462 66.125 65.324 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 85.148 66.073 64.658 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 83.922 66.868 65.054 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 46.943 55.578 -2.956 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 47.331 54.833 -2.498 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 46.597 56.135 -2.258 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 84.487 62.432 57.182 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 84.517 61.477 57.132 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 83.725 62.620 57.729 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 39.510 28.103 15.138 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 39.049 28.838 15.542 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 39.830 27.585 15.877 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 74.512 71.066 0.024 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 73.917 71.815 0.058 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 74.021 70.351 0.429 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 81.255 35.554 62.908 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 80.653 35.349 62.192 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 82.098 35.698 62.479 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 22.764 49.416 -8.917 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 22.681 49.441 -9.870 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 22.733 48.485 -8.698 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 72.285 87.862 6.038 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 71.382 87.568 5.920 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 72.418 87.855 6.986 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 42.772 42.668 8.606 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 42.232 43.458 8.596 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 43.323 42.764 9.383 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 63.093 52.951 19.169 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 63.062 52.132 18.675 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 62.468 53.524 18.725 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 76.840 64.196 -1.261 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 77.228 63.978 -0.413 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 76.453 63.375 -1.566 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 41.226 63.286 -7.626 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 41.591 64.041 -7.164 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 40.735 62.809 -6.956 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 56.375 88.945 -13.894 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 56.458 88.319 -13.175 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 57.021 88.657 -14.539 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 48.205 17.957 52.495 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 48.802 17.809 53.229 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 47.904 17.082 52.250 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 58.651 28.741 -5.121 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 57.841 29.229 -5.274 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 58.571 28.418 -4.223 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 55.685 44.692 -4.409 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 55.519 45.628 -4.299 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 56.640 44.616 -4.407 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 25.167 89.860 -3.614 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 25.167 89.011 -4.057 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 25.717 89.728 -2.842 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 88.704 44.283 9.053 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 88.915 44.008 9.946 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 87.762 44.456 9.072 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 69.269 70.586 -13.820 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 69.622 70.150 -14.595 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 70.041 70.852 -13.321 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 51.667 29.331 14.224 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 51.673 29.616 15.138 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 51.258 30.054 13.749 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 87.813 74.068 50.115 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 88.768 74.132 50.118 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 87.590 73.827 49.216 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 71.627 44.647 -12.599 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 71.629 45.176 -11.802 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 71.206 43.827 -12.343 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 32.049 30.443 -2.472 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 32.864 30.051 -2.158 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 32.164 31.383 -2.329 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 48.339 36.573 28.922 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 49.098 36.437 28.355 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 47.644 36.857 28.329 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 82.770 85.992 5.945 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 83.059 85.433 6.667 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 82.236 85.418 5.396 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 71.792 85.381 57.347 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 71.213 84.638 57.521 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 71.906 85.378 56.397 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 29.600 59.338 1.241 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 29.070 58.542 1.281 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 29.476 59.752 2.095 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 31.168 37.759 19.966 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 30.275 37.928 19.667 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 31.520 38.624 20.174 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 25.109 21.731 -15.590 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 24.812 21.328 -14.774 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 24.341 21.712 -16.160 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 26.597 27.491 45.144 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 26.113 27.390 45.963 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 27.465 27.135 45.332 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 52.573 22.960 7.159 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 52.957 22.572 7.945 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 52.919 23.853 7.139 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 86.715 56.172 -11.567 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 87.070 56.826 -12.169 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 87.443 55.571 -11.410 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 84.133 62.434 12.284 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 83.869 61.747 12.895 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 84.216 63.219 12.826 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 71.436 89.680 -13.455 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 72.318 89.802 -13.807 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 70.979 89.172 -14.125 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 47.027 5.994 -4.319 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 46.840 6.923 -4.183 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 46.872 5.591 -3.465 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 59.656 35.893 4.275 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 59.107 36.163 5.011 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 59.505 36.561 3.606 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 32.158 8.546 40.513 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 31.739 7.957 41.140 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 31.495 8.689 39.837 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 25.145 13.620 33.358 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 24.307 14.074 33.457 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 24.966 12.920 32.731 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 31.152 67.878 -4.738 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 31.096 67.741 -3.793 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 32.085 67.797 -4.938 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 23.466 37.321 -16.306 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 24.194 36.914 -16.776 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 22.975 37.787 -16.983 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 34.466 90.976 20.717 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 33.601 90.697 21.017 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 34.371 91.072 19.769 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 40.281 1.679 41.945 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 39.796 2.259 41.357 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 41.004 1.347 41.412 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 33.202 50.998 19.906 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 33.767 50.753 19.174 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 32.583 51.625 19.532 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 47.884 46.566 -18.956 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 47.445 46.081 -19.654 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 48.746 46.777 -19.315 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 71.481 22.479 65.989 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 71.448 22.092 65.114 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 71.816 23.364 65.847 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 21.543 0.344 58.561 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 21.702 0.691 59.439 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 22.387 -0.019 58.290 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 62.053 0.245 18.013 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 62.057 1.007 17.433 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 61.536 -0.411 17.544 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 49.499 20.994 49.412 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 49.473 21.676 48.741 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 48.661 21.073 49.868 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 90.815 56.555 41.564 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 90.921 57.213 40.876 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 90.214 55.911 41.189 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 60.728 77.696 35.583 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 60.414 77.488 36.463 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 60.660 76.871 35.103 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 78.831 7.661 66.519 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 79.029 6.725 66.547 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 79.192 8.007 67.335 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 65.112 89.322 37.541 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 64.298 89.075 37.980 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 65.064 90.275 37.466 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 55.301 54.543 23.213 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 55.694 54.729 24.065 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 54.523 55.100 23.181 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 40.892 85.957 57.697 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 41.294 85.091 57.636 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 39.951 85.783 57.735 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 74.406 88.483 10.705 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 75.066 88.152 10.096 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 74.819 88.414 11.566 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 67.264 93.890 35.732 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 67.750 93.840 34.909 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 66.533 94.479 35.544 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 45.487 36.076 34.701 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 46.416 36.119 34.474 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 45.045 36.548 33.996 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 22.845 91.532 9.581 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 22.271 92.298 9.596 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 22.383 90.875 10.102 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 27.561 19.909 0.191 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 27.147 20.667 -0.222 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 28.485 20.148 0.261 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 24.377 43.460 30.674 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 24.404 44.322 30.260 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 24.626 43.623 31.584 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 25.687 58.256 22.974 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 25.881 59.028 22.442 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 26.518 57.783 23.022 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 23.653 35.950 32.570 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 22.829 36.434 32.517 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 23.581 35.278 31.892 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 32.563 86.065 47.318 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 32.397 85.136 47.478 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 31.786 86.371 46.851 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 90.361 70.915 10.302 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 90.700 70.039 10.481 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 90.652 71.107 9.410 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 56.432 71.016 42.877 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 56.925 70.355 43.364 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 56.866 71.059 42.025 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 43.174 11.620 -1.729 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 42.838 11.565 -0.834 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 42.444 11.973 -2.237 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 30.195 90.905 57.863 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 30.675 91.716 58.027 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 30.769 90.399 57.288 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 28.490 93.314 18.298 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 29.346 93.728 18.193 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 28.689 92.402 18.509 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 57.708 71.708 4.619 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 58.576 71.339 4.782 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 57.569 72.324 5.339 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 79.082 27.608 51.538 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 78.816 27.569 52.457 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 79.874 28.145 51.540 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 87.420 81.466 57.522 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 87.750 82.118 58.140 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 87.771 81.740 56.674 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 44.891 9.527 17.119 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 44.850 9.080 17.964 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 45.486 10.262 17.265 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 24.392 27.820 61.347 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 23.650 28.137 61.861 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 24.214 26.889 61.219 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 41.250 18.208 -11.697 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 40.479 18.763 -11.811 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 40.907 17.314 -11.710 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 74.716 52.163 50.244 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 74.789 51.493 49.565 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 73.946 51.906 50.753 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 29.691 23.877 22.407 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 29.987 24.781 22.514 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 29.743 23.717 21.464 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 35.468 49.444 4.156 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 35.221 50.258 4.595 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 36.131 49.055 4.726 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 77.402 9.069 -5.720 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 77.675 8.644 -4.907 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 76.568 8.654 -5.940 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 50.365 1.902 -5.616 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 50.289 1.985 -4.666 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 51.284 1.678 -5.765 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 34.378 2.462 37.663 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 35.020 3.051 37.266 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 33.971 2.981 38.356 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 58.594 5.761 44.860 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 58.340 5.701 43.938 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 57.848 6.183 45.287 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 55.520 60.566 -14.677 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 54.601 60.796 -14.541 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 55.670 59.822 -14.094 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 43.961 95.576 4.369 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 44.159 96.428 4.758 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 44.443 94.948 4.907 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 78.131 5.630 0.584 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 77.885 4.910 1.164 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 78.731 6.163 1.106 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 90.651 32.971 44.786 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 90.034 32.240 44.828 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 90.360 33.487 44.034 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 23.406 26.803 5.546 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 24.084 26.720 6.216 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 23.246 27.745 5.482 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 66.402 91.957 8.670 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 65.850 91.974 7.888 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 66.248 91.094 9.055 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 43.828 94.472 -3.142 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 43.541 93.743 -3.691 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 44.666 94.185 -2.781 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 23.345 75.991 29.527 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 23.269 75.316 30.201 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 23.509 75.506 28.718 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 71.878 5.249 3.394 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 71.945 4.601 2.693 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 71.140 4.953 3.926 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 69.005 92.394 -13.249 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 69.669 92.420 -12.560 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 68.421 91.681 -12.992 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 57.772 34.013 54.510 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 57.341 34.860 54.631 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 58.572 34.219 54.027 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 48.397 25.478 67.166 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 49.244 25.286 67.569 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 48.371 26.433 67.106 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 55.827 3.784 25.953 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 54.973 4.147 26.184 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 56.291 3.711 26.787 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 28.532 46.184 67.267 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 29.374 46.437 66.889 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 27.972 46.008 66.511 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 41.407 14.676 31.725 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 42.236 14.524 32.178 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 41.318 15.629 31.700 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 59.372 83.439 28.157 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 59.954 83.065 27.495 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 59.938 84.007 28.680 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 75.195 96.433 -1.272 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 74.274 96.202 -1.393 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 75.197 97.388 -1.213 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 80.802 66.524 60.814 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 81.609 66.010 60.783 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 80.102 65.876 60.736 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 77.754 8.939 62.360 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 77.987 8.689 61.466 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 77.040 9.567 62.255 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 36.216 30.644 40.893 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 36.924 30.089 40.565 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 35.864 31.071 40.112 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 39.670 29.276 22.732 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 38.826 29.671 22.952 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 40.319 29.885 23.084 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 65.589 96.814 64.468 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 64.997 96.340 65.053 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 65.905 96.149 63.856 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 49.251 93.706 29.794 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 48.442 93.289 30.089 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 49.500 93.217 29.009 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 64.310 18.224 2.183 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 64.788 18.177 3.011 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 63.639 18.891 2.331 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 35.224 2.847 0.144 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 36.086 2.756 -0.261 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 35.348 2.544 1.043 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 29.259 5.442 47.518 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 29.297 5.056 46.643 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 30.142 5.778 47.671 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 64.201 80.471 47.709 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 63.983 81.011 48.468 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 63.360 80.121 47.415 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 48.524 86.478 -8.225 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 48.779 86.570 -7.308 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 47.675 86.036 -8.195 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 60.443 13.136 49.225 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 59.575 13.172 49.627 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 60.310 13.466 48.336 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 34.717 30.037 29.614 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 35.046 29.548 30.368 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 35.200 30.864 29.634 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 42.805 83.727 36.238 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 42.448 83.092 36.860 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 43.581 83.298 35.877 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 55.204 78.358 -9.137 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 54.846 77.564 -9.534 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 56.152 78.229 -9.154 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 39.411 60.237 41.392 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 38.731 60.892 41.549 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 40.223 60.740 41.344 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 79.671 69.329 -10.301 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 79.793 70.278 -10.344 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 78.926 69.157 -10.877 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 41.649 34.342 1.371 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 42.450 33.935 1.702 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 41.817 35.283 1.425 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 40.300 85.697 54.993 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 41.126 85.365 54.642 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 40.521 86.009 55.871 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 68.181 0.333 3.676 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 68.021 1.276 3.643 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 69.084 0.233 3.374 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 33.986 90.678 -14.754 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 34.717 90.173 -15.109 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 33.887 90.358 -13.857 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 21.775 62.456 35.666 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 22.550 61.914 35.525 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 22.042 63.088 36.333 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 46.121 82.319 2.444 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 46.376 81.732 1.732 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 45.987 81.741 3.195 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 63.702 42.894 51.743 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 63.379 42.582 52.589 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 63.200 43.691 51.574 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 44.050 5.923 -8.989 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 43.310 5.410 -9.312 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 43.960 5.902 -8.037 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 59.524 91.919 26.741 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 59.914 92.253 25.933 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 58.634 92.272 26.741 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 36.565 51.109 10.583 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 36.926 51.655 9.884 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 37.299 50.968 11.181 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 64.187 88.761 35.004 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 63.387 88.397 35.383 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 64.896 88.319 35.472 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 87.917 33.343 58.949 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 88.606 33.966 58.718 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 88.342 32.487 58.904 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 48.412 93.994 56.345 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 49.289 93.634 56.476 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 47.885 93.247 56.063 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 48.395 96.557 39.440 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 48.772 96.860 38.614 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 49.024 95.915 39.769 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 48.668 85.059 59.700 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 48.114 84.278 59.690 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 48.111 85.753 59.347 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 83.158 61.071 63.650 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 82.456 60.431 63.763 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 82.977 61.745 64.305 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 85.600 13.922 0.964 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 84.881 13.980 1.593 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 86.304 13.485 1.443 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 74.503 45.257 8.873 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 74.131 45.817 9.554 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 73.784 44.681 8.615 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 34.552 56.050 62.476 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 34.457 55.324 63.092 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 33.969 55.829 61.751 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 84.930 28.379 -6.669 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 84.334 27.723 -6.308 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 85.268 27.981 -7.471 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 68.765 16.378 -14.091 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 68.539 16.939 -13.349 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 69.483 16.836 -14.528 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 24.491 60.520 -16.053 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 23.555 60.445 -15.869 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 24.914 60.382 -15.205 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 30.330 52.925 -5.491 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 30.866 52.173 -5.743 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 30.283 52.877 -4.536 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 20.777 77.019 29.674 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 20.663 77.199 30.607 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 21.700 76.781 29.586 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 83.262 69.915 60.741 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 83.254 70.089 59.800 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 83.546 70.740 61.135 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 33.915 12.238 47.187 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 34.079 11.727 46.394 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 34.773 12.581 47.434 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 82.972 11.254 -18.078 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 82.212 11.514 -18.599 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 83.708 11.717 -18.478 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 79.740 9.879 1.033 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 79.498 10.792 1.189 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 80.564 9.765 1.508 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 86.633 41.944 26.570 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 85.837 41.932 26.038 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 87.245 42.488 26.075 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 57.153 37.718 -11.351 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 57.986 37.684 -11.822 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 57.391 37.980 -10.462 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 31.196 7.201 14.428 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 30.693 8.016 14.430 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 31.829 7.308 15.138 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 30.141 90.653 26.693 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 29.354 90.119 26.587 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 30.713 90.381 25.975 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 52.430 36.504 58.137 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 52.174 36.343 59.045 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 52.116 35.736 57.659 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 82.581 71.376 56.940 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 82.580 70.489 57.301 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 83.451 71.476 56.552 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 43.772 4.850 0.377 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 43.540 5.575 -0.204 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 43.008 4.275 0.360 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 56.208 73.267 -1.429 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 56.844 73.495 -2.107 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 56.666 73.434 -0.605 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 51.960 25.689 62.533 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 51.245 25.744 61.898 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 51.961 26.542 62.968 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 86.884 22.254 43.860 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 86.898 21.391 43.445 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 86.562 22.089 44.746 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 22.551 13.061 -4.517 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 22.225 13.443 -3.703 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 23.170 13.709 -4.855 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 39.880 64.385 57.058 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 39.080 64.293 57.574 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 40.544 63.908 57.556 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 28.021 2.991 31.466 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 27.133 2.902 31.120 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 28.506 3.436 30.771 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 23.813 85.077 16.759 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 24.718 85.283 16.523 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 23.449 84.661 15.978 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 86.277 48.725 -8.542 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 86.894 49.347 -8.927 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 86.469 48.744 -7.605 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 32.043 86.226 14.971 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 32.052 85.453 14.406 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 32.878 86.660 14.798 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 29.785 79.375 62.111 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 29.636 78.469 62.383 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 30.107 79.305 61.212 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 67.460 30.586 21.121 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 67.330 29.936 20.430 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 67.492 30.074 21.929 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 70.560 92.941 36.261 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 71.385 93.363 36.022 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 70.397 92.315 35.556 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 59.626 24.025 5.327 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 58.785 23.602 5.502 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 59.698 24.703 5.999 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 40.430 16.630 64.552 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 39.498 16.590 64.763 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 40.589 17.548 64.333 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 31.978 36.544 42.178 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 31.198 37.093 42.090 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 32.711 37.148 42.054 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 66.534 81.803 53.615 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 66.140 81.262 52.931 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 67.395 81.411 53.766 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 48.307 33.027 16.973 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 48.650 33.768 17.474 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 48.285 32.304 17.599 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 49.394 35.077 18.885 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 49.229 35.960 18.554 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 49.849 35.214 19.716 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 53.530 15.839 52.853 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 54.146 15.212 53.231 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 52.682 15.397 52.895 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 31.492 70.512 53.291 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 30.867 70.038 53.839 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 31.306 70.212 52.401 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 65.011 20.848 9.795 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 64.116 21.171 9.686 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 64.911 20.018 10.261 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 33.215 47.477 -19.627 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 32.591 47.982 -19.105 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 34.074 47.804 -19.357 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 75.468 38.312 -4.806 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 75.973 37.755 -5.398 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 74.602 38.369 -5.209 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 31.353 19.950 -2.666 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 31.187 19.329 -3.375 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 32.044 19.541 -2.145 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 21.672 80.286 -14.966 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 20.974 80.847 -14.628 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 21.748 79.582 -14.322 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 49.784 81.163 24.431 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 49.269 81.964 24.525 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 49.230 80.476 24.802 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 52.397 25.359 22.613 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 51.662 25.743 23.091 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 52.697 26.058 22.032 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 47.999 43.113 52.696 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 48.110 43.938 53.167 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 47.060 42.934 52.741 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 43.621 43.960 11.074 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 44.210 44.147 11.804 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 43.654 44.747 10.530 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 62.521 52.592 61.629 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 61.758 52.179 62.034 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 62.754 53.303 62.226 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 21.713 93.918 51.194 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 22.322 93.984 51.930 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 22.202 94.262 50.446 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 46.842 43.160 60.779 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 47.701 42.826 61.039 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 46.999 43.598 59.942 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 37.324 21.165 52.796 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 37.187 21.639 53.616 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 37.387 21.849 52.130 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 66.273 35.780 30.720 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 65.332 35.886 30.857 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 66.496 36.441 30.064 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 80.731 53.254 -12.572 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 81.272 53.755 -13.183 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 80.215 52.672 -13.130 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 44.348 26.510 52.058 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 44.372 26.422 53.011 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 44.542 27.433 51.897 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 75.983 56.634 -16.172 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 76.910 56.798 -15.998 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 75.590 57.505 -16.220 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 65.686 30.546 8.413 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 64.906 31.086 8.288 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 65.552 29.794 7.835 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 44.647 32.370 5.533 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 44.749 31.420 5.584 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 44.294 32.620 6.387 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 29.654 53.919 64.736 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 29.575 53.052 65.133 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 28.963 54.436 65.150 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 73.115 14.357 1.594 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 72.561 14.415 2.373 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 73.655 13.581 1.742 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 60.859 3.900 23.501 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 60.736 4.203 24.400 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 60.881 4.702 22.978 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 68.365 62.585 64.857 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 68.030 61.688 64.852 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 69.065 62.583 64.204 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 47.334 14.680 -0.961 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 48.181 14.935 -1.328 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 47.520 14.482 -0.043 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 60.673 33.552 24.043 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 61.518 33.567 23.593 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 60.051 33.263 23.374 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 65.843 7.948 42.409 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 64.979 7.899 42.001 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 65.671 8.260 43.298 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 31.145 28.486 49.589 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 30.970 29.405 49.790 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 30.513 28.000 50.118 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 34.015 18.705 -2.022 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 33.998 19.183 -2.851 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 34.613 19.205 -1.468 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 49.584 85.040 -2.520 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 49.753 84.917 -1.586 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 49.553 84.153 -2.877 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 62.805 19.044 61.958 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 61.851 19.005 61.884 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 62.968 19.205 62.887 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 84.165 24.989 4.207 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 84.795 25.343 4.833 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 84.312 25.493 3.407 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 69.931 41.222 49.483 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 70.488 41.909 49.118 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 69.277 41.057 48.803 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 80.176 11.721 63.620 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 80.624 12.001 64.418 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 79.503 11.112 63.923 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 70.748 30.308 8.827 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 70.405 31.197 8.918 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 71.697 30.421 8.778 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 26.987 95.310 46.349 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 27.926 95.492 46.392 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 26.823 95.111 45.427 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 26.613 6.744 47.439 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 27.335 6.115 47.450 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 27.020 7.580 47.666 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 20.717 82.648 -3.978 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 19.828 82.539 -4.315 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 20.602 82.787 -3.038 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 38.287 74.060 51.452 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 39.149 74.477 51.440 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 38.443 73.200 51.842 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 55.475 50.440 49.676 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 56.236 50.748 49.185 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 54.735 50.911 49.294 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 48.258 61.711 67.165 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 47.361 62.041 67.113 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 48.797 62.495 67.271 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 78.572 86.102 22.718 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 79.487 86.369 22.802 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 78.610 85.157 22.570 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 78.992 23.859 -17.688 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 78.901 24.393 -18.477 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 78.191 24.026 -17.191 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 24.434 3.022 -9.009 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 24.264 3.543 -8.224 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 24.924 3.609 -9.585 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 81.539 44.374 -5.439 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 81.333 44.261 -4.511 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 81.677 45.315 -5.541 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 34.531 23.867 49.070 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 34.980 23.915 49.914 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 33.909 24.595 49.087 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 48.905 88.544 64.527 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 49.522 88.665 65.249 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 49.388 88.823 63.749 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 24.391 66.293 -10.736 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 24.518 65.869 -11.585 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 25.254 66.264 -10.322 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 85.357 47.773 18.759 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 85.928 48.411 18.333 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 84.729 48.303 19.250 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 54.247 22.991 20.634 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 53.752 23.097 21.446 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 54.969 23.615 20.709 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 60.888 27.929 17.297 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 61.226 27.081 17.587 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 60.041 28.012 17.736 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 47.685 8.568 6.032 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 47.989 7.768 5.605 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 47.461 8.295 6.922 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 46.455 37.591 56.160 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 46.038 37.000 56.787 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 45.924 38.386 56.190 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 21.265 55.639 36.458 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 20.729 55.873 37.216 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 20.937 54.782 36.188 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 47.183 28.262 43.160 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 46.841 29.155 43.195 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 48.111 28.368 42.950 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 81.130 80.561 16.092 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 81.129 80.227 15.195 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 80.575 79.950 16.577 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 32.076 4.086 -16.184 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 31.670 4.232 -15.329 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 32.788 3.470 -16.010 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 80.939 76.375 36.187 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 81.735 76.759 36.556 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 80.565 75.863 36.904 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 40.351 54.559 41.413 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 40.492 53.838 40.799 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 40.808 55.302 41.020 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 80.689 50.320 -2.725 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 80.396 50.427 -1.820 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 80.411 51.125 -3.163 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 49.137 50.504 6.768 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 49.663 50.032 7.414 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 49.779 50.896 6.177 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 85.689 20.186 -3.703 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 85.697 19.263 -3.451 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 85.159 20.213 -4.500 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 66.228 62.612 19.326 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 65.512 62.226 19.831 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 66.950 61.991 19.422 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 71.819 25.600 -12.054 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 72.619 25.161 -12.346 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 71.744 26.365 -12.624 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 43.020 54.909 9.100 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 42.652 55.763 9.324 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 43.513 54.648 9.877 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 71.689 25.665 6.103 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 71.355 24.954 6.649 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 71.557 26.454 6.629 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 35.999 19.667 66.542 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 36.382 20.020 67.346 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 35.251 19.151 66.840 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 82.990 1.116 36.791 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 83.301 1.026 35.890 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 83.226 0.288 37.210 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 27.174 25.939 -19.256 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 27.286 25.973 -18.306 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 27.857 25.338 -19.556 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 81.724 35.813 32.607 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 80.878 35.640 33.021 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 82.359 35.360 33.162 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 57.672 8.122 28.393 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 58.057 8.992 28.288 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 58.334 7.623 28.873 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 62.341 16.061 -2.933 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 61.627 16.625 -3.231 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 62.962 16.055 -3.662 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 61.910 24.208 37.925 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 61.661 23.520 37.308 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 62.611 23.820 38.448 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 29.362 74.155 -3.067 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 29.542 73.340 -2.598 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 29.940 74.799 -2.659 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 59.381 9.006 61.234 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 59.400 8.054 61.333 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 60.024 9.189 60.549 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 42.440 20.341 -14.806 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 42.716 19.839 -14.040 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 41.504 20.489 -14.672 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 90.603 39.310 63.758 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 91.012 38.791 64.451 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 90.220 40.059 64.215 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 38.955 44.741 -16.335 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 39.022 43.997 -15.736 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 39.597 45.371 -16.007 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 24.262 28.803 10.718 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 24.667 28.117 11.249 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 24.997 29.230 10.277 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 75.413 46.276 -7.021 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 74.550 45.924 -7.239 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 75.772 45.654 -6.387 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 41.930 10.940 24.845 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 41.698 10.806 23.926 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 42.362 11.794 24.861 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 50.127 25.646 4.272 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 49.690 25.155 4.969 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 50.980 25.876 4.640 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 49.569 64.406 50.616 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 49.267 65.252 50.287 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 50.010 64.002 49.868 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 27.793 10.005 27.801 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 28.164 9.833 28.666 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 28.247 10.791 27.498 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 72.115 4.259 50.794 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 71.929 3.748 50.006 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 71.304 4.739 50.966 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 59.916 24.475 -5.255 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 59.064 24.305 -4.852 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 59.765 24.363 -6.193 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 50.950 57.501 48.800 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 49.996 57.427 48.773 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 51.127 58.411 48.562 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 66.019 53.991 60.632 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 65.145 54.376 60.567 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 66.317 53.917 59.725 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 67.606 25.508 1.250 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 67.438 25.877 0.382 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 68.460 25.083 1.169 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 53.808 26.936 -4.967 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 52.993 26.441 -5.054 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 53.550 27.748 -4.531 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 40.845 44.423 0.077 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 41.748 44.114 0.150 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 40.313 43.678 0.357 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 43.518 72.188 -13.937 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 42.888 72.021 -14.638 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 42.992 72.539 -13.219 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 77.358 14.068 53.846 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 76.728 13.347 53.849 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 77.188 14.539 54.662 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 26.478 17.842 45.042 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 27.201 18.235 44.554 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 25.917 18.581 45.277 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 66.066 18.793 25.182 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 66.228 19.312 24.394 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 65.149 18.965 25.398 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 32.129 30.261 -7.126 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 32.924 30.545 -7.576 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 32.362 30.271 -6.197 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 21.108 4.185 -12.552 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 20.927 5.062 -12.890 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 20.737 4.187 -11.669 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 44.840 57.042 48.302 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 44.150 57.474 47.799 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 45.644 57.494 48.043 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 56.100 20.192 62.558 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 55.676 19.564 61.973 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 55.382 20.571 63.064 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 58.251 3.985 -7.025 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 57.534 4.330 -6.494 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 58.095 3.041 -7.054 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 53.078 36.774 -11.186 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 53.373 37.147 -10.355 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 52.753 37.524 -11.684 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 22.955 91.498 48.804 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 23.365 91.804 49.613 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 22.641 90.618 49.012 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 59.297 73.209 -11.708 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 59.599 74.109 -11.584 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 59.177 72.872 -10.821 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 61.984 29.657 46.888 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 62.091 29.200 47.722 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 62.568 30.412 46.951 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 87.011 17.368 2.814 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 87.261 16.487 3.093 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 86.156 17.255 2.400 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 50.842 42.147 25.377 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 50.584 42.817 24.743 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 51.649 41.776 25.019 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 53.477 43.551 39.430 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 52.714 43.040 39.159 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 53.779 43.976 38.628 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 39.630 44.578 45.212 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 40.005 44.942 46.014 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 40.389 44.358 44.671 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 74.198 40.024 17.427 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 73.645 40.516 16.820 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 74.464 39.248 16.934 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 84.460 29.938 1.360 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 84.558 30.426 2.178 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 83.551 29.638 1.368 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 20.499 87.367 38.170 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 21.340 87.795 38.328 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 20.712 86.618 37.614 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 52.769 40.639 40.684 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 51.822 40.545 40.583 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 53.072 40.948 39.831 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 81.394 63.080 -19.584 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 81.843 62.314 -19.942 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 82.046 63.500 -19.023 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 50.220 17.771 -1.662 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 50.927 18.383 -1.864 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 49.497 18.327 -1.371 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 60.713 93.231 15.095 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 61.655 93.358 15.209 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 60.634 92.750 14.272 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 81.859 35.648 4.521 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 82.148 36.545 4.356 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 82.212 35.437 5.385 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 51.705 7.293 67.386 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 52.229 7.427 66.597 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 51.516 6.354 67.393 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 31.110 32.830 7.576 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 31.758 32.826 6.872 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 30.272 32.696 7.132 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 46.405 35.776 53.919 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 47.203 35.254 54.003 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 46.417 36.358 54.678 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 76.789 49.812 47.253 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 75.922 49.447 47.074 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 76.960 50.396 46.514 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 68.867 68.549 51.099 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 69.236 69.406 50.888 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 69.580 67.933 50.931 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 45.682 6.763 50.299 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 44.826 6.772 49.871 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 46.281 6.431 49.630 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 64.104 69.105 -14.497 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 63.692 68.509 -15.122 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 64.641 69.686 -15.036 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 60.680 9.830 18.088 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 60.060 10.281 17.514 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 60.841 8.991 17.656 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 55.622 3.938 11.588 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 54.886 3.990 12.198 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 55.754 2.999 11.451 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 36.952 22.877 61.189 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 37.782 22.660 60.765 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 36.347 22.196 60.895 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 73.493 49.132 27.224 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 72.963 48.495 26.745 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 73.290 49.972 26.811 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 24.801 63.279 60.624 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 25.498 63.528 61.231 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 25.206 62.634 60.045 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 21.139 24.825 39.149 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 20.822 24.768 38.248 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 21.049 23.936 39.492 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 40.321 23.724 12.276 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 39.658 23.791 11.589 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 40.877 22.994 12.002 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 43.658 88.807 13.239 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 42.733 89.048 13.194 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 43.780 88.489 14.133 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 58.068 34.546 50.369 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 58.213 34.400 49.434 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 57.567 35.361 50.409 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 46.962 87.626 60.677 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 47.609 87.722 59.978 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 47.252 88.233 61.358 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 90.226 82.448 -13.939 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 90.723 83.154 -13.527 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 89.315 82.625 -13.702 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 64.225 48.400 5.832 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 63.947 49.039 6.489 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 64.860 47.848 6.289 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 38.095 11.161 12.964 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 38.237 11.757 12.229 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 37.461 11.612 13.521 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 21.633 39.914 12.759 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 22.150 39.664 13.524 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 20.739 39.647 12.976 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 67.203 59.441 29.502 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 66.793 59.332 30.360 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 66.692 58.879 28.919 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 69.434 74.121 -9.348 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 69.451 73.617 -8.534 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 68.503 74.238 -9.538 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 75.917 30.320 19.100 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 75.927 30.049 20.018 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 76.821 30.205 18.807 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 20.566 26.022 42.661 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 21.470 26.313 42.540 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 20.642 25.182 43.113 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 59.642 75.338 -8.518 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 58.745 75.312 -8.853 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 60.012 74.488 -8.757 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 77.864 39.642 36.245 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 78.190 40.205 35.542 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 77.059 40.068 36.540 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 38.007 50.258 36.280 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 38.379 51.130 36.416 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 38.364 49.975 35.438 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 47.389 19.473 66.397 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 48.076 19.748 67.004 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 47.591 18.557 66.206 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 58.972 58.651 43.680 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 59.164 58.118 42.909 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 58.091 58.992 43.523 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 56.523 62.136 41.965 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 56.617 61.908 41.041 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 56.717 61.325 42.434 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 46.758 52.430 10.130 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 46.407 52.053 10.936 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 47.593 52.820 10.390 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 36.636 18.440 58.312 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 36.167 18.874 57.599 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 37.352 19.038 58.527 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 40.485 46.703 9.842 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 41.113 46.502 10.535 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 41.002 47.148 9.171 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 36.574 31.868 32.213 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 37.417 31.587 32.568 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 36.797 32.528 31.557 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 46.370 72.322 14.943 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 46.723 71.449 15.118 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 45.766 72.194 14.212 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 60.428 37.022 26.144 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 60.561 37.968 26.204 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 59.961 36.897 25.318 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 36.541 90.400 34.008 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 37.335 90.027 34.391 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 36.797 91.280 33.732 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 45.609 82.697 -16.764 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 45.223 83.381 -16.217 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 44.926 82.484 -17.400 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 35.260 20.698 2.176 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 36.029 21.231 2.375 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 35.618 19.866 1.865 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 55.513 44.869 22.822 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 54.680 45.199 23.158 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 55.575 45.231 21.938 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 55.181 34.425 -19.588 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 56.093 34.213 -19.391 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 54.793 34.630 -18.737 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 45.485 30.804 42.857 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 45.439 31.708 43.166 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 44.609 30.621 42.517 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 62.828 11.179 30.776 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 62.116 10.657 30.407 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 63.259 11.569 30.015 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 26.386 93.891 22.475 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 27.142 93.953 23.059 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 25.822 93.234 22.882 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 57.316 16.845 44.177 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 57.104 17.755 44.387 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 57.969 16.593 44.829 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 75.541 26.956 60.537 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 76.442 27.277 60.507 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 75.401 26.718 61.454 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 47.797 82.050 12.541 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 47.281 81.531 13.158 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 47.194 82.236 11.821 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 27.462 95.234 20.036 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 27.039 94.691 20.701 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 28.084 94.646 19.607 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 81.768 80.563 -2.256 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 82.701 80.630 -2.050 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 81.327 80.931 -1.491 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 74.746 12.622 -10.141 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 73.836 12.348 -10.259 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 74.726 13.572 -10.250 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 62.832 77.024 53.965 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 62.803 77.336 53.061 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 62.086 76.429 54.038 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 28.316 4.682 55.159 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 27.806 5.216 54.550 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 29.153 4.544 54.714 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 41.675 51.431 -5.363 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 41.033 50.771 -5.627 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 41.527 51.548 -4.425 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 26.422 89.376 45.352 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 27.368 89.447 45.483 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 26.221 88.461 45.546 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 26.664 79.383 51.365 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 26.015 79.451 52.065 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 26.239 78.851 50.693 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 88.468 55.488 50.847 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 89.046 55.006 50.255 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 89.060 56.023 51.377 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 84.996 85.002 53.128 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 84.214 85.027 52.576 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 85.726 84.995 52.509 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 89.506 2.986 58.490 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 88.625 3.359 58.493 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 89.373 2.057 58.298 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 37.861 65.203 17.404 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 38.590 64.828 16.910 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 38.277 65.664 18.133 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 77.635 67.865 -11.692 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 76.767 68.174 -11.951 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 77.556 66.911 -11.681 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 40.642 85.758 51.103 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 39.920 86.144 50.607 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 41.394 85.813 50.513 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 29.268 86.314 40.508 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 28.785 86.068 39.719 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 30.145 85.956 40.374 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 33.671 37.042 60.480 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 34.122 37.012 61.324 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 34.364 36.913 59.832 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 57.638 2.742 7.240 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 56.723 2.910 7.016 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 58.133 3.057 6.483 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 58.630 73.778 33.465 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 58.373 73.572 32.566 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 57.986 73.325 34.009 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 23.832 60.494 31.524 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 24.107 61.385 31.742 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 24.651 60.013 31.404 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 83.397 55.565 -16.292 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 83.255 54.823 -15.704 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 83.663 56.281 -15.715 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 42.054 50.401 43.414 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 42.344 50.182 44.300 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 42.722 50.023 42.842 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 83.943 92.073 -14.554 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 83.475 91.332 -14.168 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 83.709 92.048 -15.482 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 41.319 75.285 -18.540 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 41.760 75.674 -19.295 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 41.914 74.595 -18.244 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 35.329 80.375 -19.338 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 35.583 81.234 -19.001 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 35.784 80.302 -20.177 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 88.696 19.337 46.350 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 87.822 19.723 46.292 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 88.723 18.697 45.638 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 72.627 30.563 -17.388 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 72.534 29.902 -18.074 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 73.343 30.241 -16.840 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 59.451 23.763 42.668 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 59.106 23.890 43.552 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 60.271 24.257 42.657 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 62.473 78.306 59.109 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 63.251 78.752 59.444 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 62.495 78.460 58.165 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 28.782 41.228 -4.393 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 29.367 41.984 -4.434 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 27.945 41.589 -4.097 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 70.923 48.941 21.975 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 70.713 49.466 22.748 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 71.199 49.580 21.319 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 27.053 49.535 -7.834 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 26.346 50.181 -7.825 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 27.854 50.057 -7.891 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 46.791 94.427 -4.965 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 47.148 93.642 -5.380 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 47.000 94.324 -4.037 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 42.939 50.091 -2.044 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 43.285 50.809 -1.514 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 42.251 50.493 -2.573 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 42.862 56.541 43.204 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 43.788 56.771 43.127 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 42.466 56.867 42.395 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 37.064 5.675 53.773 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 37.362 5.364 54.629 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 37.808 5.522 53.191 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 61.888 18.758 51.546 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 61.854 17.841 51.816 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 61.567 18.755 50.644 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 62.716 75.843 16.038 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 63.099 74.972 15.927 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 61.848 75.678 16.406 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 23.065 94.290 -13.722 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 23.967 94.609 -13.744 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 23.148 93.338 -13.682 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 43.261 95.944 -7.030 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 42.885 96.745 -6.664 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 42.631 95.259 -6.806 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 49.121 14.196 13.601 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 49.895 13.681 13.830 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 49.215 15.006 14.101 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 54.265 73.815 63.814 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 53.736 74.600 63.957 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 53.805 73.125 64.291 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 24.523 29.299 20.878 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 23.955 29.255 20.109 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 24.341 30.157 21.262 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 83.080 92.723 10.161 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 83.074 93.229 9.349 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 82.270 92.214 10.133 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 21.388 0.617 20.111 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 21.200 1.555 20.132 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 20.926 0.297 19.337 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 41.903 73.024 -1.100 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 41.595 72.369 -1.726 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 42.314 72.514 -0.402 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 34.218 80.934 27.659 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 35.100 80.871 28.023 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 34.198 81.786 27.223 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 52.885 26.861 56.861 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 52.576 27.277 56.057 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 52.784 25.923 56.701 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 87.446 33.659 -8.282 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 87.369 33.676 -7.328 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 88.151 33.035 -8.455 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 86.726 9.349 0.423 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 87.595 9.511 0.791 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 86.870 9.303 -0.522 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 42.357 85.461 5.652 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 41.608 84.969 5.316 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 43.083 84.838 5.631 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 29.591 87.476 -15.857 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 30.112 87.838 -16.574 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 28.695 87.467 -16.193 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 23.924 85.131 32.622 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 23.496 85.632 33.317 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 24.844 85.098 32.882 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 26.662 89.854 6.466 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 27.607 89.797 6.612 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 26.307 89.069 6.882 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 32.417 26.482 34.744 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 31.594 26.186 35.134 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 32.459 26.030 33.901 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 25.314 0.004 -20.063 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 25.717 0.869 -20.139 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 25.544 -0.291 -19.182 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 29.674 32.166 -12.463 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 29.646 32.723 -13.242 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 29.378 32.734 -11.752 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 88.295 73.243 57.401 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 88.197 72.814 58.251 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 88.881 72.668 56.909 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 68.518 18.056 44.084 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 68.299 17.520 43.321 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 68.309 17.501 44.835 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 80.508 13.937 62.015 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 80.918 13.465 61.290 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 80.185 13.248 62.596 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 56.533 88.183 43.689 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 55.584 88.277 43.603 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 56.794 87.665 42.927 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 42.544 36.753 13.937 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 43.389 36.625 13.506 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 42.502 36.059 14.595 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 41.565 76.317 3.897 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 41.402 75.484 3.455 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 42.326 76.148 4.454 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 89.099 30.886 39.661 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 88.798 30.354 40.398 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 88.883 31.784 39.909 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 56.690 68.929 5.377 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 56.842 69.863 5.234 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 56.268 68.883 6.235 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 28.561 12.431 37.734 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 27.663 12.111 37.642 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 29.048 11.981 37.043 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 63.865 3.761 36.971 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 64.168 4.472 36.406 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 64.460 3.035 36.785 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 54.628 62.095 16.318 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 54.010 61.519 16.769 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 55.155 61.505 15.779 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 81.455 12.175 39.873 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 81.913 12.135 40.712 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 82.150 12.281 39.224 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 57.419 69.108 53.034 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 56.607 68.772 53.412 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 58.072 68.436 53.230 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 73.589 21.190 6.468 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 73.197 20.533 5.893 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 74.328 20.740 6.878 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 73.518 45.051 -17.822 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 74.189 45.158 -18.495 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 73.980 45.200 -16.997 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 27.059 70.480 66.451 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 27.088 69.994 65.626 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 27.888 70.270 66.881 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 60.185 80.390 -10.808 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 61.060 80.057 -11.005 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 60.071 80.227 -9.872 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 42.832 3.352 26.504 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 42.554 3.634 25.632 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 42.580 4.073 27.081 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 81.497 61.313 32.785 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 81.136 61.912 33.439 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 81.346 60.441 33.150 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 48.085 23.627 5.401 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 48.783 23.593 6.055 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 47.357 23.152 5.801 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 36.778 71.891 -0.282 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 36.605 71.240 0.397 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 36.131 72.579 -0.126 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 39.401 85.774 23.210 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 40.329 85.787 22.974 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 39.267 84.914 23.609 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 30.967 2.242 -2.270 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 31.326 2.813 -1.592 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 30.327 2.786 -2.728 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 41.125 28.901 38.554 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 41.529 29.519 37.946 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 40.187 28.962 38.370 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 61.803 18.272 58.039 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 61.386 18.725 57.306 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 61.078 18.037 58.619 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 23.664 28.215 15.447 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 23.059 28.818 15.015 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 23.750 27.483 14.837 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 63.261 77.066 29.160 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 63.193 76.938 30.107 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 64.155 76.799 28.946 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 52.204 12.796 -17.246 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 51.933 13.447 -17.894 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 52.028 11.953 -17.665 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 43.057 42.089 -16.791 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 42.393 41.426 -16.979 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 42.895 42.340 -15.882 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 41.541 21.936 -6.006 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 41.485 22.855 -5.747 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 40.759 21.787 -6.536 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 50.178 94.788 35.164 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 50.291 94.875 34.217 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 50.518 95.608 35.523 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 61.076 4.805 8.750 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 60.624 4.118 9.239 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 60.942 5.598 9.270 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 73.247 94.760 10.492 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 72.515 94.351 10.030 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 73.766 95.173 9.802 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 35.872 80.078 24.502 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 36.650 79.567 24.725 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 36.216 80.909 24.175 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 42.782 80.979 37.708 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 43.474 80.533 37.220 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 41.991 80.833 37.190 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 53.082 82.710 -12.578 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 52.485 83.279 -13.065 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 52.568 81.924 -12.395 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 67.695 18.994 1.770 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 68.248 18.553 1.125 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 68.288 19.205 2.491 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 50.293 22.359 58.130 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 51.064 22.617 58.635 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 49.603 22.953 58.427 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 79.300 8.133 -7.698 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 78.896 8.544 -6.935 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 80.239 8.280 -7.582 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 43.344 82.101 63.888 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 43.306 82.988 63.528 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 44.246 82.006 64.195 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 79.498 90.647 29.835 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 79.795 91.532 30.051 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 78.543 90.703 29.853 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 39.636 34.163 3.709 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 39.752 35.056 4.033 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 40.283 34.075 3.009 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 69.304 41.579 59.517 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 69.906 42.323 59.548 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 69.572 41.085 58.742 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 31.173 17.205 13.773 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 32.020 17.043 14.189 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 30.734 16.355 13.784 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 21.400 93.865 45.125 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 21.736 92.982 44.973 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 21.746 94.381 44.396 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 82.674 24.493 35.425 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 82.783 23.557 35.594 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 82.804 24.583 34.481 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 57.801 23.242 38.558 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 58.271 24.007 38.224 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 57.925 22.572 37.886 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 39.155 24.298 -7.715 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 39.327 24.243 -6.775 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 39.954 24.673 -8.084 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 82.775 29.497 58.912 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 81.999 29.071 58.546 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 82.436 30.278 59.350 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 35.258 94.093 33.087 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 36.171 93.809 33.129 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 35.282 94.906 32.582 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 53.869 33.947 -1.159 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 52.958 33.866 -1.442 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 53.876 33.599 -0.267 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 32.961 35.568 28.996 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 32.691 36.224 29.638 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 32.185 35.432 28.451 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 34.757 86.161 40.171 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 34.439 85.450 39.615 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 35.450 86.575 39.657 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 29.455 33.013 46.147 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 28.815 33.721 46.224 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 30.265 33.449 45.881 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 36.635 51.925 -10.301 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 36.087 52.517 -9.786 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 37.447 52.412 -10.442 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 76.262 88.113 51.113 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 76.404 88.393 50.209 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 76.819 87.342 51.216 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 75.688 57.573 17.326 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 76.592 57.261 17.356 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 75.224 57.024 17.958 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 45.893 11.342 27.706 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 45.939 12.269 27.938 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 45.917 11.333 26.749 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 37.360 74.598 -2.903 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 37.631 75.058 -3.698 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 37.938 74.939 -2.221 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 53.942 52.578 -16.065 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 54.845 52.776 -15.821 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 53.589 53.410 -16.379 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 30.173 5.533 4.625 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 29.808 6.208 4.052 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 29.465 4.897 4.727 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 51.485 42.264 38.435 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 51.814 41.705 37.731 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 50.596 42.492 38.163 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 56.649 7.147 42.660 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 56.322 7.209 43.557 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 56.866 6.222 42.546 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 72.455 21.782 -9.967 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 71.688 21.479 -9.481 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 72.392 21.340 -10.814 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 42.817 86.772 36.042 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 41.938 86.508 35.771 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 43.163 86.010 36.508 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 59.975 4.750 18.456 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 60.833 4.740 18.031 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 60.126 4.348 19.312 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 68.034 70.978 19.170 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 67.685 70.863 20.053 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 67.857 70.146 18.731 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 52.755 88.329 64.723 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 53.527 87.786 64.883 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 52.228 87.821 64.106 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 35.947 20.829 -1.246 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 36.382 21.583 -0.848 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 36.459 20.644 -2.033 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 79.715 30.106 8.873 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 80.251 29.313 8.849 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 78.832 29.805 8.655 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 30.117 89.200 -11.519 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 30.017 90.051 -11.093 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 30.848 88.786 -11.060 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 30.879 37.036 -2.016 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 30.163 37.559 -2.377 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 31.597 37.659 -1.900 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 65.735 48.744 11.673 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 65.132 48.189 12.166 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 66.005 49.419 12.296 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 28.506 75.577 7.859 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 29.289 75.627 8.408 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 27.965 76.313 8.145 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 82.520 30.927 45.570 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 82.445 31.583 46.263 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 83.251 30.373 45.842 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 83.710 39.920 29.565 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 82.919 40.128 29.068 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 83.591 39.009 29.834 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 20.691 27.284 48.192 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 21.366 26.831 47.686 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 19.929 27.302 47.613 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 76.629 76.636 61.516 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 75.753 76.921 61.253 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 77.014 76.275 60.718 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 62.312 16.479 41.107 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 61.674 16.904 40.534 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 62.107 15.546 41.044 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 65.715 0.489 -9.714 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 65.071 0.738 -9.051 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 65.235 0.526 -10.541 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 50.480 4.238 -1.490 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 50.758 3.893 -0.642 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 49.524 4.187 -1.469 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 82.589 38.875 61.914 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 81.876 39.260 61.404 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 82.679 39.451 62.673 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 55.704 76.375 31.517 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 55.577 75.528 31.943 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 55.339 76.260 30.640 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 54.579 7.077 28.131 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 54.456 6.167 27.861 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 55.349 7.370 27.644 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 41.399 14.562 18.242 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 42.124 14.761 17.649 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 41.385 15.295 18.857 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 68.833 36.179 4.140 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 68.197 36.512 4.773 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 69.512 36.852 4.104 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 51.062 3.263 1.261 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 51.798 3.859 1.120 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 51.464 2.397 1.331 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 38.427 84.481 7.326 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 37.881 84.826 8.033 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 38.481 83.542 7.502 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 68.848 35.379 20.631 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 69.226 36.258 20.649 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 68.917 35.107 19.716 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 60.311 8.328 4.569 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 61.175 8.498 4.945 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 60.171 7.390 4.703 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 39.209 53.977 55.741 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 39.895 53.322 55.867 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 38.434 53.470 55.499 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 85.844 91.898 22.248 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 84.904 92.022 22.117 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 85.949 90.953 22.354 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 37.084 87.704 6.141 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 38.018 87.602 5.958 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 36.880 88.596 5.860 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 38.918 19.008 52.322 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 38.032 19.335 52.476 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 39.133 19.302 51.437 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 74.736 29.056 -6.175 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 75.473 29.410 -5.678 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 74.075 28.853 -5.513 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 79.203 28.306 1.559 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 78.558 28.613 0.921 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 78.687 27.838 2.215 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 39.517 60.070 53.401 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 40.183 60.744 53.268 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 39.850 59.306 52.930 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 55.016 90.179 24.628 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 54.996 89.579 23.882 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 54.547 89.715 25.322 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 31.633 19.219 64.245 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 32.448 19.604 63.923 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 31.534 19.571 65.129 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 32.561 6.926 44.538 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 33.073 7.475 43.944 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 32.063 7.548 45.069 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 59.268 13.828 26.275 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 58.861 14.386 26.938 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 60.181 14.114 26.250 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 84.717 26.187 -14.737 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 83.924 25.834 -15.141 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 85.384 26.122 -15.420 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 64.080 13.056 13.680 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 63.563 12.432 13.171 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 63.439 13.508 14.229 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 26.390 5.220 9.435 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 26.379 5.182 10.392 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 27.307 5.077 9.200 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 40.671 33.687 -17.055 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 40.839 34.112 -16.214 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 40.599 32.756 -16.843 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 80.687 21.693 8.501 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 80.845 21.240 9.329 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 81.524 21.645 8.038 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 65.129 28.837 -2.346 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 65.097 28.410 -1.490 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 65.411 29.732 -2.158 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 75.108 90.667 25.449 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 74.507 91.410 25.394 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 75.241 90.535 26.388 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 55.777 17.499 10.899 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 55.266 16.930 10.323 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 56.659 17.486 10.527 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 25.722 33.473 -15.923 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 24.929 33.127 -15.514 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 26.392 32.813 -15.744 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 20.523 95.321 42.138 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 20.811 94.681 41.487 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 21.273 95.422 42.724 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 69.295 46.353 55.528 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 68.960 46.827 56.289 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 69.103 46.926 54.785 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 30.817 65.013 -8.353 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 31.577 64.493 -8.094 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 30.690 64.806 -9.279 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 38.119 45.818 -0.426 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 37.747 45.952 0.446 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 38.821 45.182 -0.291 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 22.309 7.697 -0.730 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 23.237 7.573 -0.527 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 22.218 7.390 -1.632 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 79.790 53.954 63.303 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 80.209 54.605 62.740 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 78.861 54.186 63.289 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 84.574 3.321 11.363 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 84.101 3.671 12.117 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 85.491 3.314 11.637 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 57.688 37.201 10.582 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 57.467 38.100 10.337 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 56.968 36.923 11.148 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 35.571 20.633 -14.056 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 36.490 20.367 -14.072 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 35.512 21.331 -14.708 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 24.247 55.650 21.608 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 25.126 55.347 21.836 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 24.174 55.486 20.668 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 43.420 10.155 39.249 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 44.265 9.840 39.570 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 43.482 10.081 38.297 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 86.843 88.117 14.673 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 85.923 87.980 14.897 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 87.310 87.424 15.141 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 49.220 34.559 65.850 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 49.298 34.584 64.896 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 49.741 35.303 66.152 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 46.400 22.122 0.705 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 46.760 22.423 -0.130 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 47.025 22.431 1.361 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 48.481 7.941 48.642 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 48.208 8.315 47.805 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 48.117 8.533 49.300 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 54.148 32.628 38.787 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 54.274 33.356 38.178 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 54.398 31.851 38.287 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 56.770 43.907 42.230 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 57.010 44.092 43.138 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 55.960 44.397 42.091 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 90.023 54.852 18.127 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 89.847 55.571 18.734 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 90.324 54.135 18.686 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 51.496 2.584 -12.034 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 51.767 3.440 -12.365 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 50.890 2.784 -11.320 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 72.461 7.931 56.517 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 72.179 7.613 55.660 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 71.739 8.481 56.819 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 46.948 61.717 55.058 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 46.336 62.369 55.398 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 47.236 62.074 54.218 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 41.576 52.111 56.551 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 42.175 52.580 57.132 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 41.650 52.566 55.712 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 73.734 61.040 32.843 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 73.039 61.637 32.565 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 73.675 60.303 32.234 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 42.238 16.031 8.670 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 42.340 15.533 9.481 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 42.517 16.918 8.897 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 78.106 95.163 28.460 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 77.252 94.950 28.085 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 77.919 95.833 29.119 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 80.272 61.678 57.607 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 80.213 62.604 57.373 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 79.791 61.224 56.915 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 41.909 48.288 37.753 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 41.734 48.654 36.885 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 41.074 47.908 38.026 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 37.762 0.642 4.229 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 37.360 1.083 4.978 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 37.908 -0.255 4.529 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 70.132 53.503 17.525 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 70.175 53.263 16.599 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 69.242 53.273 17.791 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 24.359 75.514 23.139 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 24.217 74.645 22.764 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 25.276 75.710 22.951 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 71.484 45.820 -10.146 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 71.352 44.922 -9.842 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 70.918 46.350 -9.585 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 79.303 60.034 -17.500 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 79.791 59.607 -16.796 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 79.308 60.962 -17.268 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 56.912 14.191 -16.149 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 56.736 13.361 -16.592 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 57.766 14.065 -15.735 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 89.094 17.379 44.065 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 88.226 17.045 44.291 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 89.572 16.611 43.751 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 60.545 1.480 32.569 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 60.835 1.771 31.704 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 60.378 0.543 32.463 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 31.231 42.540 24.740 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 32.130 42.339 24.480 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 31.134 43.476 24.562 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 43.590 66.791 -12.519 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 42.812 66.577 -13.034 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 43.270 66.864 -11.620 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 64.407 82.194 17.053 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 64.126 81.375 16.645 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 64.715 81.937 17.922 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 82.236 66.342 26.096 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 83.080 66.720 26.343 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 82.162 65.552 26.631 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 28.860 14.004 11.493 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 28.672 14.596 10.765 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 28.725 14.536 12.277 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 31.546 74.060 44.942 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 31.955 73.816 44.112 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 31.688 75.004 45.011 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 72.123 46.186 3.684 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 71.558 46.929 3.472 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 72.429 46.364 4.574 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 23.653 38.281 8.876 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 23.060 38.982 8.606 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 23.262 37.932 9.677 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 61.124 92.782 -15.503 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 60.785 92.300 -14.749 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 60.952 93.701 -15.297 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 68.002 17.613 9.763 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 67.353 16.966 10.042 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 67.840 17.726 8.826 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 40.538 50.896 -2.898 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 40.586 50.773 -1.950 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 39.602 50.868 -3.096 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 50.179 24.926 35.216 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 50.679 25.536 34.675 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 49.349 25.373 35.379 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 56.821 54.510 62.878 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 56.998 55.389 62.542 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 57.429 53.944 62.403 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 43.227 7.905 28.352 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 43.998 7.942 28.919 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 42.486 7.860 28.956 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 50.846 46.880 1.569 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 51.287 46.253 2.142 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 51.517 47.530 1.361 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 30.941 29.715 44.314 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 31.475 29.739 45.108 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 31.473 29.232 43.681 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 50.540 96.174 21.392 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 50.254 95.261 21.388 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 49.993 96.600 20.731 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 35.804 13.040 7.377 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 36.003 13.864 6.933 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 35.658 13.288 8.290 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 24.594 50.979 -7.941 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 24.049 50.208 -8.100 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 24.219 51.658 -8.501 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 63.890 96.761 -14.807 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 64.546 96.746 -15.504 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 63.662 95.841 -14.673 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 70.634 12.644 41.363 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 70.958 12.803 40.476 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 69.903 12.037 41.246 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 78.982 30.451 48.552 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 79.165 31.313 48.178 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 79.845 30.065 48.701 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 61.678 19.918 13.348 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 60.756 19.832 13.105 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 62.143 19.360 12.725 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 26.285 28.115 -15.774 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 26.361 29.001 -15.417 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 25.362 28.032 -16.013 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 21.207 18.352 66.646 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 20.589 18.795 67.227 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 21.758 19.055 66.300 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 34.431 36.148 14.827 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 34.180 36.656 14.055 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 34.414 36.780 15.546 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 52.753 43.615 44.164 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 53.360 43.725 43.433 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 52.160 44.364 44.099 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 57.082 57.569 -16.539 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 57.531 56.779 -16.839 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 56.326 57.245 -16.050 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 28.142 36.608 21.886 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 27.438 37.046 22.364 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 27.917 36.728 20.964 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 30.437 82.077 18.600 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 30.630 81.896 19.520 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 31.253 82.435 18.250 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 26.973 76.069 30.292 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 27.220 76.004 29.369 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 27.636 76.642 30.678 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 39.199 53.993 -17.506 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 39.229 54.470 -16.677 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 39.999 54.255 -17.962 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 42.464 19.874 48.063 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 42.858 20.683 48.389 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 42.058 20.121 47.233 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 54.531 40.920 -8.096 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 54.373 41.515 -7.363 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 54.560 41.489 -8.865 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 69.671 36.320 15.451 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 68.961 35.683 15.375 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 69.256 37.098 15.823 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 36.340 49.240 49.891 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 35.700 49.680 50.450 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 37.152 49.254 50.398 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 22.876 61.102 29.172 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 23.114 60.781 30.041 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 22.126 61.677 29.325 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 22.568 1.569 53.747 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 22.282 1.891 52.892 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 22.188 2.182 54.375 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 31.883 47.355 -10.958 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 32.650 46.823 -11.170 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 31.217 46.720 -10.692 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 66.475 67.765 49.717 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 66.498 67.951 48.779 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 67.353 67.987 50.027 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 63.085 36.191 16.199 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 62.460 35.862 16.845 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 62.987 35.603 15.450 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 88.118 5.808 65.446 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 87.260 6.099 65.755 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 88.419 6.514 64.875 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 79.019 62.702 66.275 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 79.848 62.725 66.754 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 78.799 61.772 66.223 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 53.533 40.014 10.004 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 53.746 39.418 10.721 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 53.106 40.758 10.429 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 73.072 47.042 16.765 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 72.189 46.966 16.406 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 72.944 47.399 17.644 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 65.503 47.112 22.967 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 64.727 47.463 23.403 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 65.201 46.883 22.088 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 29.487 72.706 16.388 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 29.180 73.588 16.179 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 29.337 72.616 17.329 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 68.233 23.296 44.122 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 67.796 24.102 43.847 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 69.129 23.387 43.799 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 79.670 5.079 42.159 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 78.793 4.724 42.013 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 79.729 5.825 41.562 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 77.103 54.804 63.661 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 76.257 54.379 63.519 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 76.914 55.517 64.271 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 74.141 43.493 66.033 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 73.953 42.555 66.001 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 73.353 43.907 65.682 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 46.871 3.460 29.496 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 46.204 2.865 29.152 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 47.318 2.954 30.174 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 68.167 76.711 21.467 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 68.440 75.896 21.046 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 67.798 76.436 22.306 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 31.611 67.832 2.059 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 31.863 66.909 2.090 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 30.693 67.839 2.328 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 36.164 3.318 65.079 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 36.938 3.720 65.474 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 35.425 3.731 65.526 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 84.796 3.116 38.135 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 84.102 2.488 37.937 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 85.409 2.631 38.687 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 41.416 19.828 -1.582 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 42.369 19.761 -1.530 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 41.151 20.155 -0.722 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 32.095 56.285 22.969 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 32.469 55.443 22.708 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 32.480 56.462 23.828 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 39.863 59.967 49.033 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 40.172 60.797 49.396 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 40.009 60.048 48.090 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 42.567 6.056 26.470 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 42.314 6.410 25.617 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 42.457 6.787 27.077 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 58.057 39.136 34.571 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 57.214 38.685 34.616 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 58.608 38.680 35.206 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 32.494 47.211 63.602 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 32.093 46.498 63.104 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 33.279 47.439 63.104 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 41.746 73.622 8.078 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 41.366 72.754 7.942 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 42.456 73.675 7.439 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 67.725 84.897 19.564 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 67.067 84.662 20.219 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 67.689 85.853 19.522 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 43.886 9.175 58.523 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 42.990 8.864 58.390 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 43.894 9.505 59.422 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 60.538 59.143 26.696 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 59.992 59.889 26.450 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 59.943 58.394 26.678 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 50.914 38.672 27.263 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 50.728 38.471 26.346 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 51.095 37.822 27.663 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 36.965 29.472 55.907 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 37.443 30.144 55.421 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 37.337 29.503 56.789 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 60.559 25.825 28.030 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 60.478 26.770 28.156 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 60.295 25.680 27.121 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 25.063 36.253 24.431 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 25.503 37.088 24.590 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 24.577 36.389 23.618 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 53.819 33.846 15.379 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 53.499 34.549 15.946 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 53.526 33.041 15.806 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 63.667 38.189 -13.361 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 63.579 37.865 -14.257 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 63.675 37.400 -12.819 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 67.193 5.435 37.380 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 66.745 5.463 36.535 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 67.857 6.123 37.323 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 30.464 38.311 33.956 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 30.262 37.863 33.135 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 31.157 38.931 33.727 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 50.246 45.749 57.818 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 50.872 46.012 57.143 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 50.524 46.225 58.601 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 68.610 57.401 31.723 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 68.823 57.702 30.840 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 67.686 57.155 31.677 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 59.105 41.614 34.825 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 59.879 42.118 35.075 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 58.590 41.549 35.629 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 49.432 78.430 54.785 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 49.168 78.213 55.679 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 50.216 77.904 54.631 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 69.796 65.200 -7.551 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 69.951 64.315 -7.882 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 69.052 65.520 -8.062 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 28.145 30.984 34.565 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 27.798 31.871 34.662 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 27.476 30.421 34.953 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 68.103 22.141 17.593 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 67.725 21.621 16.884 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 67.346 22.499 18.058 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 79.783 92.141 -18.640 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 79.778 92.935 -19.174 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 80.061 92.438 -17.773 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 75.248 68.193 35.022 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 75.460 68.531 34.152 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 74.316 67.982 34.976 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 33.555 63.525 20.567 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 33.428 63.839 19.672 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 34.331 63.991 20.877 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 57.552 49.316 33.116 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 56.820 49.137 32.526 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 58.239 49.664 32.548 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 78.716 56.960 59.980 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 78.078 57.629 60.230 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 79.233 57.369 59.286 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 45.252 47.868 5.866 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 46.083 47.564 5.502 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 45.475 48.674 6.332 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 28.092 47.362 -13.104 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 28.545 48.062 -12.635 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 27.904 46.706 -12.432 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 51.971 25.574 1.244 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 52.411 24.917 1.784 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 52.458 26.382 1.403 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 26.871 29.070 23.869 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 26.043 29.138 24.345 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 26.871 29.823 23.279 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 43.178 31.204 41.295 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 42.549 31.603 41.896 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 43.093 31.711 40.487 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 45.731 62.477 50.391 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 45.905 63.415 50.321 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 45.745 62.162 49.487 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 35.659 45.072 24.439 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 36.167 44.289 24.227 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 35.225 45.306 23.618 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 51.829 40.307 50.043 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 51.288 41.091 49.948 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 52.320 40.254 49.223 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 20.532 23.807 -6.266 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 21.415 23.529 -6.506 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 20.254 24.372 -6.987 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 86.019 17.645 62.992 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 86.367 16.804 62.696 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 85.199 17.423 63.433 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 24.962 24.318 41.956 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 25.340 23.972 42.764 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 25.066 25.266 42.028 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 81.437 43.861 45.863 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 81.464 44.271 44.998 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 80.534 43.555 45.955 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 72.113 28.297 35.817 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 71.848 29.137 35.442 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 72.309 28.495 36.733 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 64.396 67.561 65.350 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 65.246 67.633 65.785 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 64.104 68.466 65.241 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 24.993 19.328 -9.137 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 24.861 19.799 -9.959 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 25.530 19.916 -8.606 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 23.165 88.456 54.509 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 22.921 88.772 53.639 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 23.145 87.502 54.432 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 80.928 79.933 60.648 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 80.840 79.105 60.175 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 80.089 80.044 61.096 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 33.817 43.871 16.950 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 34.082 43.061 17.387 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 34.602 44.418 16.964 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 87.984 77.184 42.062 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 88.767 76.668 41.873 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 87.296 76.533 42.202 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 25.750 96.873 15.555 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 25.589 96.545 16.440 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 25.502 96.147 14.982 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 70.796 59.211 60.510 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 71.377 59.518 61.206 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 71.317 59.285 59.711 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 51.489 33.321 17.607 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 52.225 33.060 18.161 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 50.829 33.643 18.220 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 68.103 84.824 36.460 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 67.738 84.027 36.845 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 68.813 85.073 37.051 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 51.513 88.079 37.035 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 51.121 87.280 37.389 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 50.963 88.786 37.372 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 76.343 46.727 45.644 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 76.112 46.972 46.540 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 76.032 47.456 45.108 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 40.517 85.266 35.770 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 41.146 84.606 35.479 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 39.819 85.237 35.116 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 26.036 31.759 -8.422 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 26.240 32.487 -9.009 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 25.258 31.354 -8.805 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 87.775 28.160 37.414 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 87.154 27.968 38.117 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 87.722 29.108 37.299 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 33.666 3.136 9.984 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 33.002 3.413 9.352 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 33.197 3.079 10.816 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 59.676 25.920 -8.034 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 59.430 26.836 -8.156 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 58.846 25.444 -8.049 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 77.804 60.246 23.239 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 76.950 60.261 23.670 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 77.602 60.299 22.305 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 52.957 94.495 0.943 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 53.483 93.699 1.021 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 52.487 94.555 1.774 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 54.265 50.360 17.998 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 54.951 50.024 18.574 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 53.463 49.940 18.309 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 45.927 48.964 -9.235 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 45.115 49.252 -8.817 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 46.576 49.617 -8.975 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 28.465 1.506 23.658 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 29.140 0.905 23.975 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 28.319 1.243 22.749 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 65.168 74.063 30.084 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 65.264 74.867 30.594 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 64.224 73.979 29.945 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 80.519 15.465 55.849 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 79.752 14.950 56.098 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 80.496 15.485 54.893 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 58.397 17.552 14.119 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 58.834 17.393 14.956 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 57.515 17.837 14.359 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 86.070 30.988 12.320 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 85.160 30.694 12.345 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 86.536 30.290 11.859 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 34.842 91.167 41.493 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 34.485 90.278 41.479 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 35.785 91.045 41.603 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 55.409 3.684 -9.132 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 55.410 2.738 -9.282 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 54.803 3.810 -8.402 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 76.836 35.678 25.165 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 77.396 35.893 25.911 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 77.255 36.107 24.419 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 87.557 91.788 39.293 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 87.212 91.660 40.177 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 88.160 91.056 39.163 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 20.250 42.550 28.799 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 20.351 43.330 28.253 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 20.667 42.781 29.629 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 62.659 14.710 45.081 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 62.988 13.998 44.531 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 62.884 15.507 44.600 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 31.278 42.169 -16.900 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 31.156 42.394 -15.978 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 31.785 42.896 -17.260 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 24.958 30.527 3.559 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 25.254 31.367 3.907 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 25.542 29.882 3.959 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 49.502 80.952 19.294 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 50.260 80.447 19.588 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 48.758 80.361 19.413 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 85.023 8.415 45.093 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 85.168 8.527 46.033 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 84.603 7.559 45.015 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 40.609 4.031 -19.346 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 41.311 3.727 -18.770 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 40.999 4.029 -20.220 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 86.535 78.672 -6.343 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 85.627 78.485 -6.104 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 86.744 78.024 -7.016 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 44.479 39.908 45.870 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 44.042 40.032 45.027 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 45.389 39.720 45.643 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 80.624 52.865 3.377 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 81.432 53.370 3.283 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 79.937 53.526 3.463 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 32.015 44.342 59.325 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 32.858 44.263 58.880 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 31.635 45.149 58.978 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 77.715 12.436 61.541 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 77.284 11.660 61.898 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 78.086 12.142 60.709 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 60.769 92.356 12.313 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 60.820 91.462 11.976 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 59.915 92.675 12.020 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 52.052 88.762 -10.538 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 52.120 87.864 -10.213 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 52.948 88.999 -10.778 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 39.503 12.832 -0.726 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 38.743 13.008 -0.173 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 39.328 11.972 -1.108 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 78.108 8.388 35.633 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 77.211 8.124 35.838 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 78.484 7.633 35.182 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 62.410 66.245 -14.971 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 62.003 65.409 -14.742 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 61.778 66.668 -15.552 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 37.380 72.773 15.553 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 37.064 73.656 15.743 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 38.334 72.845 15.596 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 44.414 5.819 37.671 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 43.778 5.336 38.198 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 45.096 5.179 37.470 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 46.688 15.149 -11.469 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 47.286 15.897 -11.478 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 45.951 15.425 -12.013 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 48.424 13.181 -11.678 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 47.714 13.812 -11.562 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 49.217 13.666 -11.447 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 45.333 82.498 48.053 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 45.687 83.085 47.386 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 44.522 82.162 47.672 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 56.084 87.821 2.831 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 55.672 87.322 2.126 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 56.497 87.157 3.384 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 49.530 84.356 50.367 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 49.470 83.850 49.557 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 48.774 84.074 50.882 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 85.592 49.467 63.729 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 85.768 50.389 63.918 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 85.914 49.339 62.837 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 31.266 32.602 18.461 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 31.967 33.219 18.254 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 31.132 32.698 19.404 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 51.988 33.452 57.669 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 51.070 33.527 57.405 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 52.463 33.324 56.848 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 58.119 81.108 -6.518 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 57.556 81.871 -6.391 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 57.730 80.427 -5.968 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 42.403 42.606 61.874 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 42.507 43.351 61.282 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 42.258 43.000 62.734 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 75.119 23.304 -3.485 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 75.026 22.382 -3.726 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 74.772 23.784 -4.236 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 67.438 29.297 18.637 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 66.700 29.871 18.430 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 67.208 28.457 18.239 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 86.874 24.480 -4.157 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 87.009 25.404 -4.367 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 87.514 24.016 -4.697 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 57.653 15.809 22.159 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 57.646 15.689 21.209 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 57.500 16.746 22.283 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 50.897 7.518 18.003 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 50.082 7.256 17.575 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 50.737 8.416 18.294 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 74.263 8.028 6.275 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 74.433 8.906 5.935 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 73.986 8.171 7.180 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 77.341 33.009 61.185 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 77.179 33.591 60.443 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 77.474 33.598 61.927 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 59.269 59.180 -3.412 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 58.729 59.007 -2.641 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 59.196 60.124 -3.549 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 32.324 19.406 20.685 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 33.175 19.696 21.013 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 31.741 20.150 20.839 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 28.882 28.869 21.330 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 28.259 29.596 21.309 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 29.343 28.924 20.492 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 88.366 83.805 32.743 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 88.630 84.033 31.852 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 88.966 83.104 32.999 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 74.258 27.118 20.627 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 74.163 26.469 21.323 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 75.098 26.910 20.218 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 68.262 16.482 -2.807 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 68.089 15.872 -2.091 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 68.461 17.312 -2.373 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 59.619 17.084 27.086 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 58.810 17.156 26.581 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 59.627 17.867 27.638 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 78.258 46.507 31.973 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 77.581 46.076 31.451 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 78.966 46.680 31.353 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 24.177 4.775 65.427 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 24.566 4.012 65.856 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 23.613 4.406 64.747 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 35.731 26.450 5.240 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 35.554 26.885 6.074 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 35.104 26.837 4.629 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 67.586 38.302 34.423 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 68.299 38.839 34.080 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 66.793 38.691 34.054 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 24.949 4.069 -4.934 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 24.838 4.658 -4.187 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 24.375 4.429 -5.610 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 51.075 4.586 -8.332 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 50.917 3.700 -8.658 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 50.982 5.146 -9.103 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 85.169 88.901 50.190 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 84.883 88.595 51.051 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 84.356 89.073 49.714 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 42.014 14.802 22.712 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 41.836 15.497 23.346 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 42.287 15.265 21.920 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 89.595 5.872 35.583 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 88.794 6.389 35.664 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 90.212 6.288 36.186 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 54.941 0.253 31.621 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 54.402 -0.475 31.930 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 54.317 0.866 31.231 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 30.906 7.179 56.121 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 30.420 6.824 55.376 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 31.479 6.464 56.395 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 66.024 77.119 61.650 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 66.861 76.945 61.220 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 65.415 77.287 60.930 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 49.250 10.134 55.030 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 49.538 9.862 54.158 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 48.349 9.818 55.095 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 45.930 33.618 42.567 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 46.043 33.162 41.733 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 46.791 33.991 42.755 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 69.898 66.651 -11.338 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 69.061 67.034 -11.074 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 69.754 65.706 -11.296 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 67.896 75.898 48.218 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 68.211 75.001 48.331 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 67.115 75.811 47.670 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 47.019 32.685 55.133 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 46.909 33.278 55.876 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 47.610 33.150 54.540 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 58.553 5.306 -9.530 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 58.690 4.466 -9.967 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 58.541 5.093 -8.597 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 74.872 7.189 44.993 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 74.286 7.932 44.849 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 75.470 7.206 44.247 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 32.806 47.965 55.783 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 33.508 48.065 56.426 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 32.554 48.861 55.561 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 30.872 31.546 42.123 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 30.505 31.088 41.367 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 30.683 30.974 42.866 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 48.063 68.521 5.165 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 48.499 67.679 5.038 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 48.363 68.819 6.024 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 45.209 65.826 62.335 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 45.739 66.606 62.500 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 45.842 65.154 62.082 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 79.368 56.099 12.823 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 78.948 56.359 13.642 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 78.706 55.579 12.367 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 40.656 0.350 12.066 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 40.523 1.280 12.253 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 41.526 0.158 12.414 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 36.808 73.894 4.949 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 36.158 73.476 5.513 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 36.649 74.832 5.054 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 43.819 66.254 36.471 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 44.677 66.678 36.477 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 43.926 65.503 35.887 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 54.379 12.837 -12.379 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 54.198 13.086 -13.285 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 53.618 12.320 -12.115 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 79.125 68.644 37.026 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 79.639 68.477 36.236 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 78.334 69.082 36.710 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 56.106 7.457 5.064 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 56.648 7.250 5.826 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 55.685 8.287 5.287 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 66.735 31.332 61.597 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 66.041 31.069 60.993 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 66.376 31.153 62.466 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 56.468 86.947 54.186 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 56.908 86.512 53.456 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 55.609 86.528 54.233 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 55.877 14.606 0.074 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 55.041 15.057 0.189 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 56.534 15.300 0.127 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 66.353 15.120 -16.901 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 66.062 15.711 -16.206 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 66.593 14.313 -16.445 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 69.368 28.819 -13.296 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 68.519 28.442 -13.527 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 69.304 28.999 -12.358 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 51.040 35.721 21.056 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 51.960 35.510 20.893 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 51.056 36.613 21.404 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 46.449 81.628 8.028 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 47.141 81.266 8.582 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 46.601 82.573 8.041 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 33.764 18.515 14.379 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 34.552 18.996 14.129 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 33.340 19.071 15.033 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 88.461 90.683 -17.892 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 88.329 89.884 -18.402 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 88.075 90.490 -17.038 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 78.028 42.670 10.924 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 78.192 43.548 10.579 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 78.363 42.697 11.820 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 87.205 23.535 0.129 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 87.897 22.873 0.153 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 87.297 23.946 -0.731 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 71.892 88.113 -0.543 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 71.724 88.715 -1.268 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 72.187 88.677 0.173 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 68.935 2.714 41.725 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 68.252 3.305 41.408 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 68.801 2.677 42.672 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 56.474 32.309 -1.578 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 56.403 33.258 -1.676 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 57.149 32.186 -0.910 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 40.557 7.253 -6.788 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 40.155 6.728 -6.095 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 41.391 6.819 -6.964 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 86.879 51.923 24.989 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 86.508 51.695 24.137 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 86.168 51.765 25.610 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 64.140 40.969 23.140 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 64.518 40.467 22.418 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 63.267 41.212 22.832 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 41.704 92.063 -1.320 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 42.623 91.924 -1.091 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 41.361 92.610 -0.613 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 86.532 27.773 54.102 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 85.914 27.150 53.718 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 87.393 27.454 53.831 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 36.124 50.953 47.083 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 36.332 50.289 47.740 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 36.839 51.586 47.146 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 82.744 71.437 0.686 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 81.976 70.905 0.895 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 83.254 70.894 0.085 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 42.646 48.073 -0.388 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 43.258 48.151 0.343 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 42.580 48.960 -0.743 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 83.369 23.174 -6.517 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 83.956 22.462 -6.771 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 83.373 23.160 -5.560 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 37.859 50.199 63.992 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 38.001 51.085 63.659 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 38.148 49.626 63.282 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 75.721 93.926 55.111 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 76.117 93.726 54.263 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 74.830 93.582 55.047 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 70.116 12.642 -3.699 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 70.625 11.879 -3.424 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 70.160 13.241 -2.954 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 59.770 71.386 34.791 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 59.563 72.207 34.345 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 58.991 70.843 34.668 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 85.082 27.085 49.972 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 84.508 27.507 49.332 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 85.968 27.279 49.664 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 79.910 28.287 18.424 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 80.779 28.177 18.810 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 79.701 29.211 18.563 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 22.963 66.072 66.778 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 23.912 66.182 66.708 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 22.607 66.606 66.068 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 58.209 96.611 26.073 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 57.877 95.893 25.533 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 58.399 97.312 25.450 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 42.887 25.912 26.605 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 42.550 25.694 25.736 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 42.316 26.615 26.915 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 78.652 12.631 39.771 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 79.608 12.661 39.757 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 78.381 13.251 39.094 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 87.442 63.096 48.379 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 88.064 62.372 48.455 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 87.845 63.811 48.871 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 64.494 52.921 7.572 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 64.327 53.802 7.235 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 64.440 53.013 8.523 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 55.675 64.141 -8.414 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 55.930 63.250 -8.175 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 56.400 64.688 -8.108 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 86.927 74.723 -0.627 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 87.567 75.233 -1.124 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 87.397 73.926 -0.379 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 30.859 51.143 2.245 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 31.141 50.239 2.382 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 30.863 51.532 3.120 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 43.210 79.465 -17.751 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 43.242 80.370 -18.063 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 42.322 79.361 -17.409 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 83.917 32.850 -13.844 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 83.181 32.616 -13.278 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 83.516 33.041 -14.692 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 90.588 49.308 -10.467 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 90.280 48.536 -9.992 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 91.013 48.955 -11.249 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 49.271 80.953 53.804 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 49.604 80.083 54.022 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 49.958 81.345 53.265 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 58.679 7.717 -0.101 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 59.424 8.271 -0.336 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 58.284 8.154 0.653 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 45.822 61.781 -17.506 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 45.926 62.605 -17.982 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 45.340 62.021 -16.715 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 30.848 11.225 -3.681 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 31.411 10.816 -4.338 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 30.171 10.573 -3.505 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 62.647 2.541 8.227 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 62.232 3.374 8.005 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 62.021 1.876 7.939 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 58.315 26.322 14.058 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 57.851 27.113 14.331 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 57.733 25.604 14.308 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 29.679 18.045 25.537 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 30.429 18.517 25.899 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 29.384 17.479 26.251 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 50.144 22.943 55.681 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 50.051 22.775 56.618 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 49.497 23.624 55.494 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 42.000 81.514 1.987 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 42.444 80.728 1.671 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 42.709 82.108 2.234 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 30.840 84.579 -4.022 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 31.065 85.166 -3.300 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 29.909 84.737 -4.178 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 66.996 89.232 32.377 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 66.980 89.288 33.333 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 66.830 90.127 32.082 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 40.277 55.155 4.695 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 40.774 55.795 5.205 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 40.940 54.690 4.184 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 44.427 31.861 -15.614 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 45.335 31.562 -15.588 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 44.480 32.762 -15.933 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 29.142 33.682 42.619 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 29.506 34.064 43.418 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 29.760 32.990 42.381 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 32.305 44.262 45.374 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 32.902 43.967 46.062 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 32.516 43.712 44.620 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 54.038 13.405 54.921 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 53.135 13.174 55.139 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 54.498 12.566 54.888 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 73.016 93.209 54.445 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 73.093 92.475 55.055 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 72.199 93.046 53.974 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 73.371 28.824 12.111 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 72.514 29.245 12.176 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 73.935 29.334 12.693 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 52.952 52.688 -6.695 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 52.538 53.131 -5.954 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 53.655 52.170 -6.303 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 51.844 38.020 -13.615 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 51.826 38.957 -13.421 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 50.943 37.809 -13.861 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 27.074 46.560 -17.231 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 27.336 46.551 -18.151 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 26.352 45.933 -17.181 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 82.545 2.776 -3.809 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 82.254 1.878 -3.652 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 83.492 2.750 -3.671 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 34.591 6.780 57.447 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 35.426 6.465 57.100 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 34.792 7.644 57.806 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 54.983 6.317 35.196 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 55.201 6.439 34.272 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 55.605 5.658 35.504 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 88.194 77.915 25.654 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 87.323 77.884 26.051 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 88.735 77.364 26.219 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 51.911 37.116 5.307 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 52.015 38.020 5.602 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 52.063 36.588 6.091 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 28.367 70.356 62.453 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 29.191 69.869 62.427 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 28.288 70.740 61.580 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 71.945 10.893 -3.245 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 71.602 10.020 -3.057 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 72.871 10.751 -3.440 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 81.102 72.454 -13.750 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 81.788 71.843 -13.481 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 81.295 72.643 -14.668 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 49.360 11.214 12.705 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 50.054 11.281 13.361 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 49.005 12.101 12.639 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 47.153 4.457 35.090 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 47.367 4.206 35.988 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 47.972 4.344 34.607 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 52.846 44.208 -18.257 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 52.576 45.126 -18.228 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 52.478 43.824 -17.461 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 64.135 78.158 50.745 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 64.497 77.890 49.900 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 63.189 78.057 50.643 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 83.527 26.289 37.263 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 83.470 25.725 36.492 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 82.975 25.860 37.916 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 76.343 34.432 -13.092 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 76.583 34.718 -12.210 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 77.024 34.797 -13.656 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 57.747 90.894 9.676 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 57.379 91.662 10.112 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 57.135 90.187 9.879 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 25.384 96.263 5.602 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 25.032 97.120 5.845 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 26.033 96.453 4.926 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 62.470 2.248 -17.799 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 62.833 1.699 -18.494 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 62.984 3.055 -17.837 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 87.701 28.472 2.555 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 87.309 27.624 2.347 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 86.981 28.987 2.918 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 74.329 3.604 55.112 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 74.560 4.305 55.722 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 75.121 3.465 54.594 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 59.125 30.542 14.725 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 58.961 30.878 15.606 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 58.632 29.722 14.686 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 61.458 90.039 56.538 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 61.137 89.604 55.749 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 61.795 90.880 56.228 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 45.099 32.100 -1.336 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 45.681 32.140 -0.578 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 45.295 32.895 -1.832 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 58.286 35.729 -3.308 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 57.501 35.488 -2.816 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 59.010 35.363 -2.801 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 53.930 8.420 66.338 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 54.665 7.964 65.927 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 54.242 8.636 67.216 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 82.470 31.662 10.970 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 82.678 31.220 10.147 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 81.897 31.050 11.433 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 66.500 5.708 34.734 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 66.871 6.570 34.545 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 65.639 5.720 34.315 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 59.871 21.621 1.510 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 60.359 22.314 1.956 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 60.211 21.626 0.615 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 56.013 20.353 10.994 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 55.785 20.748 11.835 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 55.654 19.466 11.040 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 33.237 93.676 60.398 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 32.393 93.792 59.962 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 33.781 94.389 60.063 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 57.799 90.629 44.272 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 57.248 91.195 43.731 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 57.471 89.745 44.105 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 74.679 94.720 28.334 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 74.028 94.018 28.336 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 75.274 94.492 27.620 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 28.907 88.423 -0.913 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 29.744 88.554 -0.468 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 29.134 87.965 -1.722 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 23.813 25.246 -18.164 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 24.012 24.462 -18.676 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 24.184 25.967 -18.673 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 42.426 7.596 46.861 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 42.990 7.827 46.124 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 41.629 7.253 46.455 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 26.644 8.340 -15.306 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 27.430 8.520 -14.790 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 26.258 7.567 -14.895 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 90.380 52.239 -2.431 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 90.161 52.549 -1.552 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 89.533 52.113 -2.859 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 89.383 67.178 -7.935 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 89.213 66.504 -8.593 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 89.982 67.788 -8.366 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 22.667 66.957 63.992 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 22.274 66.396 63.323 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 23.603 66.764 63.947 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 42.484 96.067 18.174 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 42.232 96.114 17.252 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 41.712 96.374 18.650 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 90.243 27.606 34.301 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 90.399 27.702 33.361 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 89.438 28.099 34.462 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 37.174 30.009 51.859 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 36.768 29.206 52.186 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 38.101 29.789 51.765 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 60.151 27.160 -16.356 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 60.824 27.632 -15.865 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 59.328 27.573 -16.093 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 62.722 26.190 24.272 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 61.993 25.688 23.908 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 63.371 26.215 23.569 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 69.705 47.453 28.081 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 69.166 47.796 27.369 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 69.550 48.054 28.810 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 80.318 40.750 -15.669 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 79.912 41.139 -16.443 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 80.342 41.460 -15.027 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 79.930 92.478 38.168 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 79.780 91.619 37.773 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 80.659 92.848 37.669 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 46.537 36.619 41.768 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 45.723 36.182 42.018 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 46.378 36.930 40.876 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 25.988 12.628 44.401 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 26.120 13.390 43.837 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 26.102 12.965 45.290 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 49.543 46.077 -7.538 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 49.907 46.763 -8.098 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 49.383 46.512 -6.700 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 62.412 29.582 5.256 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 62.389 29.491 6.208 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 61.498 29.493 4.984 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 60.391 15.063 23.620 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 61.020 14.384 23.375 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 60.678 15.840 23.141 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 69.581 78.222 56.870 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 69.510 79.086 56.465 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 70.264 78.323 57.533 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 54.246 9.619 16.087 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 54.727 10.074 16.778 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 53.358 9.974 16.139 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 62.944 5.645 20.485 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 63.809 5.418 20.826 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 62.399 5.752 21.264 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 64.180 58.682 44.545 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 63.557 59.346 44.250 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 63.875 58.438 45.419 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 24.070 56.817 34.826 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 24.573 56.538 34.061 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 24.698 56.790 35.549 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 34.170 53.466 7.609 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 35.029 53.620 8.003 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 33.788 52.763 8.135 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 67.303 29.123 23.357 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 67.331 28.167 23.333 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 67.975 29.367 23.995 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 70.594 8.692 60.725 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 70.412 8.337 61.595 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 70.726 9.629 60.871 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 72.193 22.759 29.885 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 71.654 23.429 29.464 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 71.582 22.052 30.088 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 82.614 85.229 -15.047 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 82.210 85.736 -14.342 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 83.400 84.852 -14.651 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 75.383 20.951 64.205 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 76.302 21.084 63.974 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 75.184 20.066 63.901 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 39.118 27.473 25.250 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 38.434 27.489 24.581 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 39.806 28.041 24.903 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 82.535 43.476 25.371 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 82.117 42.617 25.435 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 81.958 44.061 25.862 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 55.809 81.027 -12.183 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 55.392 80.216 -12.476 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 55.257 81.723 -12.540 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 44.116 76.415 14.977 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 44.838 75.787 14.951 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 43.331 75.875 15.059 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 81.128 20.443 -15.718 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 81.195 20.258 -14.782 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 81.091 19.580 -16.131 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 51.027 96.218 -18.278 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 51.579 95.717 -17.676 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 50.975 97.090 -17.887 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 70.793 11.385 10.285 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 70.914 10.652 10.890 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 69.925 11.728 10.495 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 24.276 2.135 6.377 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 24.200 2.781 7.080 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 23.434 2.175 5.923 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 31.916 49.573 24.687 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 32.245 50.431 24.419 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 31.645 49.694 25.597 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 52.991 60.914 50.583 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 52.665 61.537 49.934 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 53.778 60.542 50.185 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 30.236 19.251 3.100 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 30.530 19.337 4.007 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 29.340 19.588 3.104 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 45.521 0.637 53.780 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 46.296 1.009 54.199 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 45.868 0.004 53.151 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 82.062 20.756 -9.271 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 81.758 21.605 -9.591 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 81.274 20.331 -8.933 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 43.784 83.572 2.748 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 44.680 83.328 2.515 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 43.770 84.527 2.675 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 73.665 16.896 -19.758 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 74.396 17.236 -20.274 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 73.889 15.979 -19.599 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 77.207 8.377 -12.926 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 77.115 7.480 -12.606 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 78.125 8.447 -13.186 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 35.011 52.183 56.964 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 34.675 52.904 56.431 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 35.068 51.444 56.358 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 88.755 81.013 53.437 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 88.934 80.180 53.875 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 89.520 81.161 52.881 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 56.909 35.443 36.876 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 56.641 36.119 36.253 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 56.096 34.998 37.113 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 61.345 33.751 -18.996 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 62.138 33.990 -18.517 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 61.662 33.268 -19.759 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 78.525 72.941 40.635 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 77.808 73.569 40.551 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 78.364 72.299 39.943 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 79.854 82.147 -5.907 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 79.426 83.002 -5.968 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 79.669 81.726 -6.746 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 22.512 54.361 -13.250 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 22.547 53.413 -13.122 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 22.535 54.724 -12.365 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 89.566 69.611 5.539 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 88.862 69.222 6.058 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 89.674 69.017 4.796 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 71.847 31.715 16.015 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 71.615 32.638 16.111 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 71.427 31.283 16.759 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 43.254 92.278 11.784 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 44.050 92.278 12.315 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 43.398 91.588 11.136 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 65.411 36.960 24.754 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 65.048 36.683 23.913 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 64.837 37.670 25.041 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 29.778 52.575 0.319 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 29.965 51.974 -0.401 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 30.318 52.258 1.043 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 45.126 38.424 65.522 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 44.404 37.911 65.160 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 45.729 37.772 65.879 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 35.332 12.042 20.958 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 35.178 12.921 20.612 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 36.243 11.852 20.734 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 50.150 59.233 -9.556 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 50.692 59.786 -10.118 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 50.423 59.455 -8.666 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 90.161 38.000 29.505 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 89.779 38.813 29.836 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 91.090 38.200 29.391 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 60.043 89.608 66.223 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 60.777 90.095 65.848 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 59.676 90.198 66.882 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 82.944 14.905 49.576 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 82.552 14.113 49.945 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 82.327 15.603 49.796 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 59.734 64.580 -6.448 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 59.395 65.037 -5.678 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 59.062 63.932 -6.659 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 67.852 77.581 63.671 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 67.242 77.663 62.938 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 67.531 78.206 64.321 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 71.270 46.324 12.863 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 71.859 45.871 13.466 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 70.813 46.964 13.409 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 23.277 78.523 37.975 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 23.598 77.734 37.538 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 22.843 79.021 37.282 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 41.106 44.178 66.942 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 41.977 44.111 67.333 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 41.219 43.856 66.048 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 33.790 40.406 -12.441 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 33.625 41.026 -11.731 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 33.732 39.545 -12.026 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 26.384 56.239 53.459 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 27.307 56.491 53.488 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 26.397 55.302 53.266 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 71.959 20.317 -12.709 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 72.690 19.788 -13.028 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 72.037 21.146 -13.182 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 39.491 63.392 -3.738 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 39.648 63.749 -2.864 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 39.808 64.071 -4.335 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 52.975 6.389 37.069 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 53.710 6.577 36.486 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 52.463 7.198 37.080 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 81.202 85.170 9.887 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 82.154 85.201 9.978 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 81.036 84.390 9.357 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 61.800 78.067 31.975 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 61.207 78.393 32.651 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 61.276 78.072 31.173 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 37.996 12.264 52.150 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 38.063 11.342 52.401 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 38.761 12.677 52.550 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 52.106 21.160 14.983 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 51.563 20.562 14.471 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 51.484 21.770 15.379 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 26.413 40.250 3.621 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 27.235 40.035 4.063 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 25.897 39.445 3.670 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 63.503 11.658 -17.720 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 64.126 11.378 -17.049 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 63.813 12.523 -17.989 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 75.836 31.294 15.545 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 75.670 30.351 15.535 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 76.621 31.393 16.084 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 55.647 35.709 -12.243 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 54.742 35.941 -12.034 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 56.159 36.470 -11.970 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 30.606 66.173 35.619 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 31.522 65.893 35.630 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 30.158 65.549 36.190 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 89.333 40.852 65.914 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 88.765 40.092 66.045 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 89.388 41.261 66.778 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 53.989 63.346 -10.379 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 54.416 63.651 -9.578 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 53.091 63.149 -10.111 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 46.715 35.132 48.903 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 46.446 35.022 49.815 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 46.373 35.991 48.654 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 44.625 40.038 56.924 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 44.168 40.220 56.103 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 44.759 40.900 57.320 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 85.059 36.375 -19.536 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 84.957 36.342 -18.584 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 85.696 37.073 -19.685 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 79.245 5.504 -13.808 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 79.031 5.274 -14.712 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 80.146 5.205 -13.690 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 39.719 72.161 -8.379 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 39.411 72.884 -7.832 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 39.772 71.414 -7.783 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 90.687 28.832 8.585 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 91.209 28.242 8.042 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 90.133 28.251 9.107 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 26.452 89.694 -1.303 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 27.216 89.129 -1.189 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 26.117 89.828 -0.416 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 78.048 20.991 64.148 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 78.224 20.721 63.247 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 78.632 20.449 64.679 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 23.014 17.945 44.121 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 23.488 18.672 43.716 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 23.119 17.219 43.507 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 46.171 69.397 27.489 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 46.671 69.334 28.303 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 46.764 69.830 26.875 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 52.193 18.511 61.457 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 51.701 17.843 60.978 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 51.627 19.282 61.443 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 84.051 86.303 -6.348 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 84.962 86.015 -6.296 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 83.804 86.482 -5.441 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 64.053 23.415 -14.237 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 63.272 23.912 -13.993 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 64.128 23.536 -15.184 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 75.841 12.086 37.593 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 76.170 11.286 38.001 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 76.617 12.635 37.479 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 60.301 24.565 59.654 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 59.517 24.461 59.114 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 60.123 25.337 60.190 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 22.137 38.768 50.376 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 22.767 38.082 50.154 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 21.859 38.560 51.267 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 28.199 15.248 9.267 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 28.419 16.178 9.329 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 28.264 15.048 8.333 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 28.135 46.012 20.878 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 28.455 46.416 21.684 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 28.669 45.224 20.776 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 32.550 53.417 10.704 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 33.357 53.655 11.159 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 32.610 52.469 10.590 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 87.272 93.633 -18.185 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 87.168 94.013 -17.313 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 87.683 92.782 -18.028 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 67.642 45.395 29.158 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 66.740 45.658 28.972 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 68.177 46.104 28.800 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 31.561 49.174 27.643 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 31.285 48.880 28.511 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 32.280 48.587 27.409 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 53.858 50.833 22.415 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 54.646 50.331 22.210 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 53.519 51.106 21.562 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 28.295 48.567 40.636 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 28.416 49.508 40.514 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 28.624 48.395 41.518 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 50.351 50.970 -13.581 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 50.334 51.514 -14.369 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 51.174 51.198 -13.149 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 77.591 30.587 44.694 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 78.517 30.382 44.566 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 77.136 30.064 44.034 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 24.838 6.482 -3.478 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 25.141 7.362 -3.703 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 25.588 6.073 -3.048 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 53.198 67.201 -14.124 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 53.071 66.681 -13.331 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 54.136 67.393 -14.137 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 47.312 40.022 -9.054 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 48.038 39.795 -8.472 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 47.415 39.438 -9.805 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 21.083 83.395 23.276 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 20.331 83.018 22.819 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 20.755 84.218 23.639 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 87.056 63.203 40.376 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 87.169 63.171 39.426 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 86.561 64.008 40.531 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 55.291 21.446 2.708 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 55.767 21.898 3.405 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 55.381 20.517 2.920 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 84.965 79.835 2.173 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 85.806 79.984 2.604 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 85.168 79.852 1.237 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 32.370 26.194 21.218 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 32.799 26.062 20.372 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 32.806 25.580 21.807 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 46.154 58.145 17.982 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 45.556 58.247 18.723 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 46.484 59.028 17.817 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 61.576 63.603 22.526 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 60.797 63.208 22.134 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 61.353 64.528 22.626 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 27.081 24.985 8.829 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 26.707 24.183 8.466 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 28.021 24.907 8.665 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 26.174 60.708 60.362 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 27.102 60.933 60.303 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 26.072 60.340 61.240 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 52.533 25.080 -1.331 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 52.615 26.020 -1.496 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 52.173 25.022 -0.446 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 82.661 78.033 29.006 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 81.935 77.453 28.777 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 83.113 77.582 29.718 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 71.671 88.196 -9.641 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 72.279 87.639 -10.127 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 70.937 88.330 -10.241 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 63.384 55.931 59.321 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 63.598 56.039 60.248 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 62.695 56.575 59.158 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 52.987 90.262 60.925 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 53.484 90.778 60.291 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 53.624 90.036 61.603 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 78.481 90.366 56.971 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 78.709 91.296 56.969 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 78.683 90.068 56.084 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 47.337 72.755 -13.298 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 47.363 71.816 -13.484 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 48.071 73.118 -13.794 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 83.531 90.936 6.087 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 84.469 91.126 6.057 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 83.482 89.999 6.275 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 28.010 72.660 21.194 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 28.559 72.604 21.976 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 27.381 71.945 21.290 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 45.417 49.792 66.092 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 45.499 49.059 65.483 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 46.312 49.962 66.386 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 85.026 63.822 4.049 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 85.607 63.107 4.308 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 84.248 63.386 3.702 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 72.960 44.188 2.050 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 73.472 44.665 1.397 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 72.604 44.870 2.620 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 47.044 53.354 20.808 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 47.812 52.811 20.630 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 47.218 54.174 20.344 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 33.022 14.626 44.533 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 33.342 13.725 44.485 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 32.660 14.705 45.415 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 21.651 12.886 9.187 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 22.585 13.043 9.326 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 21.335 13.681 8.757 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 77.418 89.510 7.158 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 77.100 90.413 7.180 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 78.348 89.589 6.944 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 61.131 49.422 25.268 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 60.412 49.146 25.837 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 60.764 50.136 24.746 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 57.718 42.328 32.083 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 56.829 42.684 32.072 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 58.247 42.992 31.642 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 56.637 32.237 2.607 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 57.228 32.285 3.359 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 55.785 32.502 2.954 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 52.041 70.085 28.359 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 51.589 69.359 27.930 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 51.783 70.019 29.278 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 86.095 71.606 39.206 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 85.979 70.984 38.487 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 86.858 71.281 39.684 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 58.226 66.377 42.015 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 58.035 67.222 41.607 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 57.487 65.820 41.771 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 44.222 38.115 -17.802 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 44.761 37.428 -18.193 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 44.272 37.953 -16.860 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 58.061 22.363 -14.680 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 58.764 23.011 -14.729 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 58.226 21.774 -15.416 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 43.421 73.407 14.347 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 44.053 73.447 15.065 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 43.917 73.055 13.609 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 40.090 27.125 17.800 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 39.168 27.259 18.018 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 40.482 26.795 18.609 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 47.096 30.022 32.339 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 46.685 30.451 31.589 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 46.402 29.968 32.995 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 55.231 83.200 10.491 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 55.702 83.470 9.702 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 55.893 82.766 11.029 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 41.297 32.053 43.181 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 41.707 31.895 44.031 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 41.243 33.006 43.114 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 50.072 53.905 18.533 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 50.792 53.498 18.051 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 49.373 53.997 17.886 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 55.989 48.103 -12.547 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 56.263 47.506 -11.851 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 55.522 47.547 -13.171 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 31.281 11.892 49.366 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 31.264 10.968 49.612 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 31.763 11.911 48.539 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 54.339 80.317 11.709 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 54.942 79.581 11.605 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 54.884 81.094 11.583 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 61.481 4.272 44.836 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 61.601 3.402 45.216 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 60.557 4.300 44.588 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 42.000 4.076 -10.576 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 41.351 3.666 -10.004 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 42.491 3.342 -10.945 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 53.485 62.918 41.625 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 53.418 62.436 40.801 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 54.405 62.840 41.875 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 67.254 63.432 -12.873 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 67.664 64.207 -13.258 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 66.474 63.282 -13.408 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 51.825 64.414 62.114 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 51.591 64.352 61.187 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 51.175 65.011 62.486 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 41.139 64.036 8.548 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 41.443 64.895 8.254 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 41.940 63.557 8.758 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 28.405 62.922 22.652 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 29.001 63.229 21.968 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 27.718 63.587 22.687 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 63.156 62.599 44.164 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 62.920 63.415 43.724 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 62.471 61.981 43.908 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 35.769 7.943 19.122 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 36.117 7.502 19.897 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 35.321 8.716 19.466 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 36.010 22.444 -4.680 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 36.560 22.120 -3.967 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 36.084 23.397 -4.626 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 50.088 81.169 45.517 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 51.005 80.903 45.441 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 49.688 80.497 46.067 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 53.872 83.748 -15.988 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 54.359 84.358 -15.433 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 52.972 83.800 -15.668 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 34.706 9.410 66.531 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 34.223 9.679 65.749 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 35.537 9.883 66.474 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 69.160 54.459 -5.190 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 68.807 55.058 -4.532 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 68.464 54.383 -5.842 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 75.662 90.154 14.769 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 75.175 90.181 15.593 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 75.393 89.333 14.358 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 57.485 32.638 67.234 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 58.210 32.588 67.857 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 57.891 32.929 66.417 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 59.632 15.880 45.233 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 60.406 15.623 44.732 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 59.889 16.691 45.672 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 56.327 58.677 -1.568 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 56.616 58.802 -0.665 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 55.470 59.102 -1.608 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 25.986 60.465 29.208 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 25.703 61.377 29.266 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 26.733 60.484 28.609 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 83.076 47.855 13.671 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 82.221 47.543 13.372 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 83.254 48.622 13.127 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 46.639 89.162 62.984 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 47.427 89.080 63.520 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 46.050 89.709 63.503 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 62.650 83.428 20.602 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 62.183 84.202 20.918 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 62.270 82.701 21.094 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 63.348 81.753 28.091 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 62.875 81.389 28.839 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 64.229 81.384 28.162 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 70.649 29.713 -9.564 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 71.478 29.587 -10.026 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 70.904 29.906 -8.662 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 44.098 6.060 23.249 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 43.295 5.617 22.973 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 44.086 6.004 24.205 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 75.139 10.786 5.295 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 74.182 10.753 5.311 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 75.344 11.703 5.109 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 47.332 7.593 0.212 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 48.160 7.248 0.545 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 46.706 7.441 0.920 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 69.672 4.227 7.463 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 69.278 5.098 7.495 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 70.243 4.193 8.231 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 38.177 87.905 -16.969 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 38.378 87.052 -17.354 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 38.009 88.474 -17.721 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 65.059 68.843 55.455 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 64.125 68.873 55.251 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 65.459 68.429 54.690 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 70.465 62.314 9.785 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 70.023 62.018 10.581 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 70.156 61.718 9.103 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 71.642 18.842 60.486 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 71.658 18.432 59.622 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 72.065 19.691 60.357 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 80.454 11.382 -9.073 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 80.453 10.693 -8.408 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 79.862 12.050 -8.727 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 43.538 88.226 53.845 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 43.380 87.297 54.008 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 42.848 88.483 53.233 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 64.782 77.011 25.947 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 64.968 76.774 25.039 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 63.827 77.001 26.007 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 44.870 96.448 1.435 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 45.389 97.227 1.631 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 44.495 96.191 2.277 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 31.054 5.041 38.951 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 31.912 5.356 38.666 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 31.151 4.089 38.995 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 36.883 24.621 29.843 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 37.435 23.967 29.414 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 36.207 24.825 29.197 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 44.710 73.346 7.524 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 44.931 72.448 7.274 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 44.789 73.355 8.478 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 79.628 23.700 2.384 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 79.319 23.516 3.272 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 80.017 24.572 2.441 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 62.791 54.414 -10.664 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 63.373 54.943 -10.117 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 62.015 54.272 -10.121 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 51.638 93.161 55.038 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 51.076 92.387 55.015 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 51.511 93.576 54.185 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 38.948 81.869 -8.144 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 38.684 81.931 -7.226 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 39.606 82.556 -8.252 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 45.185 26.962 60.177 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 45.006 27.901 60.235 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 46.056 26.907 59.785 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 61.505 91.519 18.374 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 60.901 92.200 18.670 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 60.942 90.855 17.976 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 46.494 68.647 60.137 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 47.170 68.451 59.488 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 45.679 68.668 59.636 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 64.812 43.517 7.274 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 65.553 43.581 7.878 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 64.061 43.328 7.836 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 51.464 8.230 50.432 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 51.178 7.317 50.470 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 52.237 8.262 50.995 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 55.535 21.337 46.735 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 56.145 20.815 46.214 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 54.845 20.723 46.984 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 82.910 36.317 65.127 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 83.837 36.391 65.355 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 82.897 36.318 64.170 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 58.449 30.858 53.046 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 57.993 30.017 53.064 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 58.081 31.315 52.290 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 35.958 19.971 61.108 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 35.246 20.543 61.395 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 35.742 19.757 60.200 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 60.468 22.843 20.590 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 59.847 22.846 19.862 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 60.143 22.165 21.182 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 49.066 87.518 14.432 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 49.781 86.885 14.509 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 48.315 87.081 14.833 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 41.603 56.389 -16.419 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 42.403 56.211 -15.925 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 41.497 57.339 -16.369 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 23.856 20.014 54.365 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 24.656 19.960 53.841 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 23.812 19.175 54.824 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 74.199 36.489 31.506 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 75.113 36.612 31.761 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 74.217 36.466 30.550 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 24.378 14.893 -5.670 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 23.958 15.651 -6.077 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 24.461 15.133 -4.747 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 45.643 76.483 48.492 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 45.360 76.813 47.639 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 46.483 76.914 48.649 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 79.810 65.993 39.199 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 79.179 66.261 39.866 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 80.000 66.794 38.711 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 85.963 44.129 48.801 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 85.689 43.629 48.032 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 85.638 43.622 49.545 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 59.033 0.975 15.193 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 59.110 0.609 16.074 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 58.247 0.565 14.831 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 86.839 65.236 -6.729 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 86.794 66.182 -6.865 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 87.213 65.137 -5.854 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 46.852 83.180 5.413 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 47.214 83.543 4.605 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 47.042 82.243 5.363 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 66.907 27.201 -3.982 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 66.217 27.732 -3.583 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 66.437 26.541 -4.491 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 30.034 89.159 -18.768 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 29.406 88.784 -19.386 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 29.658 90.006 -18.528 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 53.792 25.273 7.657 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 54.129 26.169 7.659 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 53.811 25.007 8.576 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 62.335 19.645 31.090 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 63.043 19.846 31.702 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 62.468 20.252 30.361 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 56.197 57.688 12.057 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 56.218 57.156 12.853 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 55.709 58.473 12.306 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 28.841 73.486 24.276 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 28.339 74.299 24.219 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 29.486 73.649 24.963 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 81.196 17.813 -16.983 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 81.710 17.186 -17.492 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 80.304 17.720 -17.319 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 26.096 86.926 -10.100 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 25.672 86.181 -10.525 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 26.982 86.936 -10.460 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 63.840 14.170 31.566 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 64.004 15.113 31.562 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 63.404 14.006 32.403 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 57.024 73.203 1.253 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 57.171 73.925 1.864 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 56.116 72.942 1.403 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 36.357 23.495 24.601 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 36.799 22.654 24.483 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 35.811 23.373 25.377 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 71.645 2.392 38.255 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 72.067 2.818 37.508 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 70.843 2.014 37.893 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 74.830 90.719 43.260 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 74.405 90.436 44.069 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 74.451 91.579 43.077 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 35.240 26.464 64.618 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 34.720 25.763 65.009 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 35.948 26.011 64.160 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 41.621 11.383 -7.238 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 41.107 10.939 -7.913 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 42.180 11.990 -7.723 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 62.847 30.990 53.625 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 61.969 30.822 53.967 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 62.699 31.437 52.792 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 53.822 49.731 37.066 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 53.792 50.208 36.237 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 54.358 50.278 37.639 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 80.700 87.879 64.788 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 80.259 87.148 64.356 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 80.392 87.844 65.694 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 81.157 79.102 -10.873 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 80.285 78.893 -11.207 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 80.998 79.484 -10.010 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 49.727 19.909 17.557 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 49.179 20.692 17.503 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 50.022 19.884 18.467 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 50.558 34.765 15.440 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 49.645 34.993 15.616 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 50.767 34.093 16.089 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 31.916 26.750 4.518 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 31.174 27.325 4.331 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 31.578 26.119 5.153 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 72.691 95.252 -1.839 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 72.058 95.286 -2.557 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 72.198 94.892 -1.102 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 88.505 42.876 -16.839 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 89.043 42.636 -16.085 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 87.895 42.145 -16.940 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 33.905 82.412 22.659 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 33.193 82.903 23.070 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 33.631 81.496 22.721 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 51.848 93.718 45.249 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 52.607 93.230 44.931 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 52.218 94.510 45.639 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 69.447 27.779 56.544 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 70.259 27.393 56.217 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 68.861 27.033 56.672 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 75.212 29.504 -1.415 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 74.965 30.427 -1.370 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 76.048 29.500 -1.882 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 28.623 60.695 27.792 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 28.917 59.852 28.137 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 29.247 60.900 27.096 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 21.443 35.243 61.742 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 21.765 35.614 62.563 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 22.233 34.975 61.274 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 35.041 30.954 9.069 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 34.270 31.206 9.577 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 35.674 31.654 9.230 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 33.338 47.747 52.191 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 32.602 47.635 52.793 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 32.956 47.632 51.321 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 51.428 77.461 30.718 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 50.924 77.144 31.468 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 51.902 76.691 30.404 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 28.058 77.826 35.501 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 27.929 78.680 35.913 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 28.880 77.503 35.871 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 26.554 55.456 19.305 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 26.962 55.441 18.439 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 26.762 56.323 19.653 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 47.903 94.137 0.580 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 47.063 94.212 0.129 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 47.685 93.763 1.434 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 30.067 26.802 7.301 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 29.599 27.600 7.055 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 30.306 26.937 8.218 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 28.815 2.748 -9.988 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 28.899 2.442 -10.891 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 28.031 2.309 -9.657 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 37.500 24.068 15.725 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 38.078 24.544 15.130 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 38.093 23.601 16.314 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 22.715 23.449 -14.777 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 23.568 23.282 -15.178 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 22.230 23.940 -15.440 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 73.862 31.002 38.277 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 73.055 30.499 38.166 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 73.705 31.817 37.800 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 58.998 8.001 -16.373 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 59.446 8.841 -16.472 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 59.412 7.430 -17.021 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 87.898 72.626 45.153 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 86.981 72.868 45.285 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 87.878 71.681 45.007 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 20.737 85.349 21.040 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 21.054 84.455 21.175 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 20.360 85.599 21.883 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 74.208 59.234 21.078 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 74.850 59.578 20.457 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 73.377 59.263 20.604 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 90.008 2.807 36.691 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 89.059 2.803 36.564 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 90.358 3.170 35.877 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 29.528 25.906 45.799 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 30.043 26.234 45.062 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 28.969 25.228 45.419 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 30.608 53.108 -2.991 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 31.332 53.467 -2.477 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 30.256 52.402 -2.449 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 82.160 31.709 60.450 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 81.616 31.910 59.689 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 82.751 32.458 60.527 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 68.259 85.835 49.735 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 69.023 86.061 49.204 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 67.514 86.178 49.241 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 58.206 43.340 -1.167 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 57.816 44.106 -0.746 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 58.658 42.881 -0.459 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 76.629 36.678 51.634 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 75.798 37.001 51.287 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 76.439 36.457 52.546 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 70.363 38.651 13.751 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 69.436 38.871 13.659 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 70.372 37.703 13.885 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 20.827 29.704 37.763 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 20.443 28.874 37.480 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 20.341 29.937 38.553 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 37.322 76.343 -9.586 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 37.226 77.120 -10.137 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 38.268 76.228 -9.495 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 30.969 94.961 3.306 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 30.886 94.010 3.239 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 31.896 95.133 3.146 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 88.873 35.152 4.969 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 88.775 36.090 5.136 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 89.562 34.872 5.572 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 66.209 71.392 0.975 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 65.584 71.846 0.410 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 66.252 70.504 0.620 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 24.646 41.651 -9.289 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 23.927 41.303 -8.762 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 24.217 42.045 -10.049 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 73.946 12.541 -13.555 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 73.392 12.914 -12.870 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 74.424 11.836 -13.120 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 56.487 44.633 34.708 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 55.694 44.922 34.256 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 57.166 45.241 34.414 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 89.160 87.807 -3.729 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 88.937 88.647 -3.327 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 89.060 87.958 -4.670 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 80.008 36.778 18.770 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 79.067 36.892 18.634 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 80.384 37.636 18.571 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 53.203 80.869 59.107 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 53.103 81.075 60.037 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 54.111 80.579 59.022 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 36.387 34.757 13.644 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 35.942 35.309 14.287 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 36.520 35.329 12.888 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 57.604 5.394 36.522 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 57.482 4.951 35.682 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 57.434 4.717 37.177 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 51.579 21.895 39.357 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 51.619 21.936 40.312 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 51.307 20.997 39.166 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 32.519 72.673 59.396 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 32.631 72.748 60.344 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 32.373 71.740 59.245 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 54.399 42.962 64.166 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 54.013 42.841 65.034 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 54.668 42.083 63.898 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 33.359 28.400 64.056 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 33.727 28.748 64.868 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 33.817 27.571 63.921 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 69.350 41.725 35.809 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 69.175 41.619 34.874 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 69.303 42.669 35.957 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 78.197 18.374 -2.743 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 78.769 19.125 -2.584 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 78.511 17.702 -2.138 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 60.622 20.014 56.479 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 60.874 20.270 55.592 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 59.856 20.555 56.677 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 58.389 85.089 6.902 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 58.770 84.223 6.756 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 58.775 85.385 7.726 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 88.162 95.428 -12.978 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 87.773 96.217 -13.356 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 88.796 95.135 -13.632 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 27.618 37.514 15.373 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 27.637 36.779 14.761 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 28.527 37.811 15.420 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 49.106 16.954 -12.149 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 49.431 17.676 -12.688 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 49.853 16.361 -12.066 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 68.627 81.052 56.690 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 68.619 80.956 57.642 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 67.704 81.138 56.449 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 20.959 15.605 -4.114 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 21.214 16.211 -4.809 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 21.645 15.694 -3.453 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 22.095 20.983 46.704 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 22.310 21.521 47.466 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 22.475 21.453 45.962 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 20.792 46.806 25.491 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 20.145 46.144 25.249 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 21.437 46.782 24.784 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 80.704 27.381 -9.088 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 80.757 27.251 -8.141 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 79.841 27.044 -9.328 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 90.922 28.133 55.102 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 90.390 27.487 54.637 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 90.352 28.898 55.185 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 58.042 32.880 0.545 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 58.693 33.435 0.974 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 57.505 32.543 1.261 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 75.289 65.244 47.365 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 74.770 65.014 48.136 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 75.722 64.428 47.115 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 88.414 74.223 -8.723 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 89.271 74.633 -8.837 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 88.471 73.780 -7.876 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 33.026 10.992 15.811 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 32.913 11.942 15.818 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 33.801 10.838 16.350 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 39.156 30.619 6.139 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 38.395 30.045 6.221 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 39.404 30.820 7.041 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 84.348 20.128 66.691 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 84.134 20.109 67.624 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 83.607 19.697 66.266 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 60.327 2.030 -9.553 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 59.897 1.379 -8.998 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 59.899 1.940 -10.404 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 85.116 6.432 -12.177 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 84.361 6.172 -11.649 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 85.757 5.734 -12.039 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 35.534 56.406 -16.146 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 35.912 55.554 -15.928 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 36.237 57.032 -15.971 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 46.028 58.761 6.656 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 46.778 58.421 6.168 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 46.400 59.421 7.240 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 36.047 37.555 18.764 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 36.801 38.042 19.097 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 36.401 36.700 18.522 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 22.508 39.071 15.210 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 21.563 39.115 15.351 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 22.694 38.136 15.125 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 26.689 16.909 39.660 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 26.167 17.377 39.008 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 26.118 16.203 39.963 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 80.365 14.945 -17.744 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 79.861 15.722 -17.984 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 79.905 14.585 -16.986 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 71.530 33.320 39.191 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 70.847 32.772 38.805 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 72.293 33.184 38.629 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 69.647 82.864 43.416 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 68.876 82.857 43.984 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 69.314 83.143 42.563 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 66.207 68.769 13.877 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 67.106 68.495 14.058 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 65.981 68.325 13.060 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 88.295 46.262 18.945 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 87.373 46.249 18.688 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 88.747 45.796 18.241 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 40.100 3.328 58.733 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 40.050 3.640 57.829 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 40.164 2.376 58.655 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 65.589 95.431 55.428 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 65.383 94.673 54.881 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 66.161 95.083 56.113 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 75.121 82.089 62.783 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 75.632 81.952 63.581 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 75.224 81.274 62.291 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 75.009 89.451 28.342 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 74.107 89.680 28.564 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 75.080 88.521 28.555 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 78.794 68.839 -18.871 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 79.122 68.041 -19.286 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 77.880 68.896 -19.150 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 73.702 30.536 6.155 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 72.922 30.067 5.859 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 73.422 30.987 6.952 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 51.540 94.530 63.150 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 50.677 94.686 62.766 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 51.628 95.205 63.823 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 66.490 27.015 17.236 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 65.761 26.833 17.829 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 67.183 26.417 17.515 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 79.348 31.116 12.487 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 79.466 32.016 12.183 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 78.662 30.760 11.923 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 66.770 41.321 65.929 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 66.876 41.125 66.860 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 65.989 41.874 65.888 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 89.258 33.362 13.972 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 88.496 32.851 14.242 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 90.008 32.806 14.186 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 71.632 25.839 23.104 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 71.517 24.906 23.289 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 72.529 25.910 22.779 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 82.300 56.923 48.587 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 82.010 57.825 48.451 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 81.557 56.492 49.009 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 83.926 93.871 30.483 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 83.960 93.454 29.621 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 84.807 94.223 30.613 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 51.595 37.671 -6.716 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 52.374 38.228 -6.706 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 51.464 37.425 -5.800 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 81.062 63.170 53.452 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 80.472 63.177 54.206 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 80.487 63.039 52.698 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 63.934 49.746 37.306 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 63.155 49.961 36.793 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 64.053 48.805 37.178 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 53.573 91.274 -1.531 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 53.391 90.427 -1.937 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 52.821 91.433 -0.960 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 74.810 86.882 5.409 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 75.167 86.538 4.590 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 73.882 86.649 5.382 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 40.069 87.359 2.834 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 40.047 86.490 3.234 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 40.000 87.965 3.572 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 36.889 43.927 56.996 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 36.989 44.074 56.056 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 36.539 43.039 57.065 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 76.624 77.555 52.729 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 76.027 78.266 52.495 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 76.563 76.940 51.999 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 63.109 24.708 19.229 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 62.236 25.098 19.278 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 63.304 24.442 20.127 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 88.734 43.974 -1.265 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 88.147 44.566 -0.794 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 89.393 44.549 -1.653 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 50.449 10.042 -2.218 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 49.585 10.332 -1.925 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 50.392 9.086 -2.223 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 32.100 36.321 25.369 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 32.318 35.390 25.337 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 31.407 36.429 24.718 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 21.248 83.791 -12.102 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 22.030 83.312 -12.377 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 20.797 83.194 -11.506 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 60.656 16.202 5.386 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 60.486 16.929 4.788 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 60.885 16.622 6.215 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 43.253 34.264 42.899 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 44.045 33.811 42.609 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 43.531 35.171 43.033 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 81.304 20.260 39.855 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 80.857 19.786 40.555 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 81.026 21.169 39.965 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 73.120 43.966 16.591 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 73.786 44.608 16.346 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 72.333 44.248 16.124 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 22.456 56.205 28.577 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 22.924 55.762 27.869 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 22.826 57.088 28.593 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 23.635 41.336 14.755 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 24.451 40.842 14.831 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 22.956 40.726 15.045 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 63.192 16.515 59.550 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 62.791 17.192 59.004 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 62.454 15.997 59.870 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 21.066 69.079 13.183 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 20.394 68.409 13.054 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 21.437 68.885 14.044 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 44.828 41.184 6.696 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 44.467 41.792 6.051 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 44.458 41.471 7.530 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 85.740 85.656 -16.937 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 86.580 85.212 -17.052 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 85.202 85.030 -16.451 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 71.924 22.872 8.041 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 71.161 23.145 7.533 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 72.469 22.392 7.418 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 45.029 12.192 -17.623 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 44.358 11.580 -17.320 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 45.175 12.777 -16.880 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 76.773 52.524 39.166 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 76.861 52.116 38.304 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 77.345 53.290 39.129 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 61.733 35.533 58.620 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 61.316 35.821 59.431 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 61.083 34.968 58.203 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 76.564 38.243 8.851 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 75.857 38.227 8.206 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 76.769 39.172 8.959 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 68.885 48.863 44.876 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 69.291 48.014 44.700 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 68.678 49.215 44.010 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 71.138 25.808 25.852 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 71.965 25.671 26.315 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 71.390 26.238 25.035 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 48.661 6.309 45.085 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 48.864 5.376 45.018 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 48.789 6.516 46.011 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 87.671 39.004 66.916 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 86.745 39.235 66.840 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 87.805 38.850 67.851 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 25.996 75.172 -9.818 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 25.258 75.550 -9.339 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 26.542 74.772 -9.141 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 84.379 29.520 40.242 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 85.066 28.873 40.401 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 83.574 29.094 40.536 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 32.266 70.139 43.078 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 31.570 70.670 43.464 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 32.938 70.772 42.824 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 38.608 51.683 8.713 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 38.627 52.112 7.858 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 39.157 52.234 9.271 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 77.042 21.289 -9.580 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 76.872 20.905 -8.720 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 77.992 21.238 -9.683 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 31.104 47.278 65.782 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 31.889 47.085 66.294 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 31.410 47.310 64.876 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 73.867 62.244 40.026 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 73.974 63.195 40.012 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 72.932 62.110 40.184 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 48.521 6.930 16.708 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 48.910 7.178 15.870 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 47.578 7.028 16.574 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 55.662 44.094 1.257 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 55.766 43.399 1.907 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 55.187 44.784 1.719 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 71.774 79.713 -3.705 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 72.382 79.550 -2.984 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 71.234 80.443 -3.402 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 55.475 51.355 2.493 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 54.563 51.092 2.617 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 55.440 52.308 2.412 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 61.390 15.732 29.302 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 61.246 16.491 29.866 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 61.109 16.022 28.434 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 44.333 23.984 -7.291 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 45.233 23.663 -7.228 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 44.283 24.388 -8.157 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 35.225 27.942 -3.518 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 35.026 27.045 -3.786 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 34.545 28.158 -2.879 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 61.171 39.769 -20.023 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 60.559 39.358 -19.413 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 61.173 40.694 -19.775 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 73.295 60.852 47.346 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 73.136 61.791 47.256 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 74.247 60.763 47.285 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 53.154 5.499 5.723 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 53.383 6.023 6.490 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 52.240 5.254 5.864 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 37.813 77.775 22.824 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 37.674 77.620 21.889 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 38.763 77.842 22.918 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 56.302 63.805 17.787 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 55.741 63.226 17.270 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 57.129 63.330 17.866 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 39.362 88.592 7.552 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 38.517 88.342 7.925 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 39.850 87.771 7.492 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 31.491 59.456 54.174 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 30.629 59.697 54.513 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 31.620 58.554 54.465 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 57.430 88.735 39.646 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 57.556 88.004 39.041 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 57.845 88.448 40.459 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 45.681 48.317 40.134 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 46.604 48.532 40.265 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 45.514 48.527 39.215 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 86.313 45.469 -0.298 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 85.891 46.046 0.337 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 86.013 45.789 -1.149 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 25.317 34.736 54.250 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 26.175 35.153 54.324 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 24.702 35.394 54.572 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 60.836 58.840 51.345 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 60.259 58.687 50.597 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 60.679 58.095 51.925 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 38.468 67.695 -13.168 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 38.361 68.330 -12.460 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 38.496 66.846 -12.726 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 41.518 42.862 57.611 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 42.415 43.130 57.814 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 41.580 42.454 56.747 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 64.007 32.769 -12.254 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 64.934 32.953 -12.405 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 63.922 32.733 -11.301 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 73.096 16.267 11.225 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 72.596 16.668 11.937 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 73.941 16.052 11.618 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 76.505 69.778 -7.567 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 75.778 70.096 -7.033 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 77.146 69.454 -6.934 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 45.123 66.329 52.705 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 44.619 67.024 52.281 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 45.437 65.785 51.984 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 28.933 1.868 47.434 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 28.165 2.426 47.312 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 29.598 2.247 46.858 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 30.216 52.452 32.722 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 29.695 51.999 32.060 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 30.584 53.208 32.264 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 26.791 53.221 5.311 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 27.661 53.573 5.496 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 26.497 52.855 6.145 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 38.403 32.812 16.272 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 38.137 33.387 15.554 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 39.022 33.336 16.781 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 21.866 53.478 28.442 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 21.929 54.428 28.341 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 22.615 53.135 27.955 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 20.783 80.420 45.512 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 20.020 80.939 45.258 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 21.012 80.743 46.384 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 57.444 40.717 49.164 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 56.729 40.631 48.533 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 58.123 40.126 48.839 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 57.114 42.763 37.002 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 57.282 43.085 37.888 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 57.104 43.552 36.459 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 83.858 12.964 6.191 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 84.644 12.555 6.554 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 83.821 12.653 5.287 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 31.815 16.623 3.712 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 30.863 16.703 3.754 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 32.091 17.341 3.141 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 56.009 66.992 -14.930 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 56.319 66.830 -14.038 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 55.674 66.145 -15.224 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 84.008 16.384 4.348 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 83.819 17.321 4.403 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 84.154 16.222 3.416 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 63.037 37.618 60.578 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 63.439 38.213 61.212 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 62.210 38.040 60.344 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 40.042 76.750 15.052 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 39.637 77.549 15.387 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 39.925 76.109 15.754 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 55.994 52.810 19.708 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 56.635 52.466 19.086 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 55.171 52.385 19.466 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 73.911 23.304 -7.927 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 74.529 22.620 -7.669 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 73.250 22.845 -8.447 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 63.734 51.163 23.929 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 63.669 51.505 23.038 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 62.934 51.462 24.361 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 41.947 18.013 -5.820 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 41.886 17.587 -4.966 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 41.957 18.950 -5.621 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 47.317 38.260 -17.237 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 46.747 38.893 -16.799 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 47.541 38.675 -18.070 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 47.910 13.451 -17.949 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 47.008 13.760 -18.029 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 48.443 14.243 -18.023 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 87.521 39.904 54.818 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 87.678 39.527 55.684 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 86.614 40.207 54.849 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 67.701 41.389 -6.269 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 67.643 41.399 -7.225 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 67.121 42.097 -5.987 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 70.654 30.585 58.301 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 71.437 30.200 57.907 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 70.843 31.523 58.342 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 62.528 66.799 41.623 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 62.274 65.994 42.074 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 63.226 66.530 41.026 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 72.131 36.886 45.998 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 72.404 37.689 46.442 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 72.932 36.551 45.594 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 46.660 74.987 14.787 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 47.434 75.236 15.294 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 46.597 74.038 14.897 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 69.557 56.524 23.620 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 68.762 56.051 23.371 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 69.449 56.700 24.554 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 26.232 81.258 -10.785 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 26.731 80.493 -10.501 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 26.890 81.854 -11.144 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 54.250 38.509 -2.738 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 55.162 38.270 -2.905 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 54.031 38.064 -1.919 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 73.248 56.425 58.557 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 72.425 56.075 58.217 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 73.236 56.206 59.489 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 53.495 20.342 35.985 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 52.608 20.008 36.119 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 53.610 20.343 35.035 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 87.678 20.210 3.316 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 88.463 20.448 3.808 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 87.616 19.259 3.408 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 53.829 0.327 66.788 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 53.600 0.829 66.006 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 53.055 -0.206 66.966 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 59.708 37.880 -12.377 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 59.739 38.831 -12.485 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 60.563 37.651 -12.013 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 58.990 59.776 -0.114 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 58.145 59.690 0.327 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 59.413 60.517 0.319 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 57.842 30.697 -12.841 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 57.586 31.580 -12.574 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 57.230 30.121 -12.384 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 23.723 68.766 55.211 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 23.151 68.825 54.446 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 24.606 68.712 54.846 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 64.845 20.671 -17.973 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 65.627 20.453 -17.466 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 64.723 21.610 -17.833 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 35.743 26.056 16.311 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 34.959 25.589 16.022 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 36.470 25.557 15.938 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 54.603 83.518 60.126 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 54.813 83.957 59.302 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 53.811 83.016 59.936 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 61.578 34.793 54.183 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 60.821 35.343 54.381 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 61.809 34.392 55.021 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 82.554 62.548 59.139 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 82.967 61.883 59.690 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 81.758 62.130 58.813 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 41.300 61.899 52.676 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 41.447 62.471 51.922 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 41.684 62.372 53.414 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 74.385 93.254 40.466 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 73.648 92.764 40.100 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 74.485 94.007 39.883 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 38.791 24.276 49.089 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 39.139 23.979 48.248 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 38.202 24.996 48.863 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 75.122 84.021 65.971 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 75.213 83.986 66.923 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 74.226 83.731 65.804 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 70.089 42.836 17.495 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 70.582 42.534 16.732 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 69.411 43.406 17.133 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 35.549 19.659 12.458 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 35.946 18.790 12.411 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 36.270 20.240 12.701 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 51.423 46.497 -3.924 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 52.179 45.920 -3.818 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 51.570 47.203 -3.295 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 79.365 22.198 40.625 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 78.649 21.699 40.232 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 79.213 23.100 40.342 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 60.446 27.658 22.023 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 60.497 28.575 21.753 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 59.559 27.559 22.370 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 87.716 79.924 67.267 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 88.419 79.318 67.033 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 86.968 79.360 67.465 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 32.022 48.788 36.739 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 31.326 48.330 37.208 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 31.812 48.662 35.813 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 40.657 1.726 25.992 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 41.567 1.998 26.104 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 40.145 2.504 26.214 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 66.914 92.419 40.241 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 67.645 92.327 40.852 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 67.319 92.376 39.375 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 68.139 85.870 11.237 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 68.381 86.669 10.769 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 67.307 85.605 10.844 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 79.374 40.526 16.575 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 78.449 40.588 16.814 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 79.429 40.948 15.718 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 33.977 55.443 -12.629 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 34.889 55.602 -12.383 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 33.692 54.737 -12.049 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 79.552 86.183 28.738 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 80.014 87.010 28.606 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 79.656 85.715 27.910 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 33.215 57.260 28.485 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 34.020 56.804 28.732 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 33.460 58.185 28.465 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 65.216 40.166 28.695 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 65.333 41.073 28.411 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 64.861 39.718 27.927 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 74.951 81.418 -9.652 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 74.538 81.556 -8.800 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 74.276 80.993 -10.180 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 52.258 15.080 -4.750 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 51.626 15.538 -5.304 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 52.990 15.692 -4.664 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 72.258 88.142 20.089 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 71.792 87.358 20.381 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 73.029 87.806 19.632 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 68.325 3.030 32.710 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 67.941 3.741 32.196 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 68.505 2.341 32.071 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 34.217 22.708 -10.237 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 33.578 23.125 -10.815 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 33.764 22.627 -9.398 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 85.820 43.569 39.603 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 86.544 44.076 39.971 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 85.242 43.400 40.348 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 66.009 67.263 10.241 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 65.240 67.084 10.782 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 66.205 66.426 9.819 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 33.733 25.928 -13.353 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 33.921 26.519 -12.624 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 33.746 25.054 -12.963 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 46.391 53.767 26.706 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 46.632 54.635 26.384 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 46.534 53.186 25.958 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 80.373 25.708 -11.386 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 80.499 26.206 -12.194 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 79.872 26.295 -10.820 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 61.012 45.070 -3.431 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 61.226 44.527 -2.672 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 61.860 45.359 -3.766 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 61.248 84.398 -12.899 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 60.700 84.817 -12.236 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 62.066 84.197 -12.443 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 74.138 34.031 5.953 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 74.798 34.356 6.566 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 73.791 33.243 6.371 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 54.434 58.428 18.155 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 53.917 59.218 17.998 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 53.802 57.790 18.485 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 20.250 86.966 18.706 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 20.170 86.634 19.601 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 21.107 87.391 18.683 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 78.993 77.390 19.907 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 78.803 77.395 20.845 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 78.153 77.584 19.491 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 60.101 1.641 65.940 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 60.108 0.819 66.430 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 60.579 1.443 65.134 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 38.789 96.470 8.346 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 39.414 96.088 7.730 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 38.367 97.173 7.853 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 65.270 2.993 7.428 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 64.413 2.956 7.852 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 65.519 2.076 7.310 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 21.506 67.914 6.460 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 20.860 67.317 6.081 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 21.901 68.351 5.706 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 30.632 7.346 20.247 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 29.823 7.721 20.594 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 31.329 7.790 20.731 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 73.582 21.562 60.824 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 74.284 22.025 61.280 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 73.827 21.605 59.900 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 22.003 49.823 63.702 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 22.242 50.339 64.472 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 22.632 50.087 63.031 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 45.901 60.942 10.909 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 45.610 61.853 10.951 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 46.583 60.877 11.577 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 51.297 13.448 18.054 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 50.788 13.801 18.785 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 52.208 13.528 18.336 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 23.321 57.840 1.890 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 22.932 57.162 2.441 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 24.133 57.450 1.566 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 74.631 29.931 60.938 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 74.666 28.976 60.879 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 73.752 30.157 60.633 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 42.754 31.783 45.545 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 42.327 32.023 46.367 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 43.602 31.425 45.810 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 80.049 76.273 -8.643 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 79.562 77.070 -8.431 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 80.360 75.950 -7.798 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 84.146 36.293 26.665 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 84.219 36.630 25.773 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 84.891 36.677 27.128 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 66.097 61.026 12.835 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 66.472 60.488 13.532 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 65.434 60.466 12.430 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 86.564 40.153 -13.419 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 85.781 40.133 -12.869 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 87.077 39.396 -13.134 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 76.246 70.036 8.295 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 76.515 69.123 8.395 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 75.777 70.058 7.460 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 47.829 0.808 46.257 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 48.550 0.828 45.628 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 47.113 1.265 45.816 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 32.561 60.067 8.182 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 31.999 60.695 8.635 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 32.708 59.371 8.822 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 70.979 95.972 66.558 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 71.908 95.928 66.334 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 70.867 95.318 67.248 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 74.013 13.642 39.014 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 74.541 13.109 38.420 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 74.570 14.392 39.223 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 67.537 55.053 18.388 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 66.922 55.665 17.982 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 67.003 54.551 19.004 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 31.030 95.152 34.098 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 31.031 94.208 34.251 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 31.943 95.416 34.212 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 46.539 85.062 7.985 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 46.372 84.970 8.923 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 47.486 85.185 7.921 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 67.244 81.058 25.573 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 67.173 80.115 25.426 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 68.016 81.157 26.131 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 44.640 15.796 -4.750 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 44.672 16.005 -3.817 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 44.106 15.003 -4.800 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 49.916 34.150 62.715 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 49.677 35.069 62.837 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 49.514 33.907 61.881 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 63.206 32.136 -9.386 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 63.194 32.819 -8.715 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 62.343 31.727 -9.328 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 58.082 83.557 57.488 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 57.858 83.730 56.574 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 58.602 84.315 57.756 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 63.434 72.377 17.529 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 63.461 71.440 17.337 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 63.029 72.769 16.755 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 32.959 64.774 51.308 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 33.344 64.536 50.464 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 32.073 64.415 51.277 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 29.948 74.210 26.635 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 30.235 75.122 26.590 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 30.704 73.737 26.982 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 22.552 31.938 35.231 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 22.894 32.041 34.343 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 21.700 32.374 35.212 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 63.639 19.772 59.268 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 63.446 19.449 60.148 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 62.953 19.394 58.718 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 40.466 0.609 4.661 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 39.542 0.505 4.431 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 40.629 1.549 4.579 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 33.527 81.019 46.664 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 33.030 80.230 46.450 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 34.190 81.080 45.976 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 48.055 8.767 -12.614 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 47.222 9.194 -12.814 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 48.427 9.289 -11.903 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 85.940 35.070 42.143 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 85.931 35.325 41.221 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 86.473 34.275 42.167 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 35.052 82.226 36.520 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 35.445 81.557 35.959 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 35.167 81.892 37.409 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 21.714 59.921 -0.522 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 21.725 60.874 -0.607 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 22.405 59.619 -1.112 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 60.310 11.159 21.023 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 61.172 11.508 20.797 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 60.152 10.472 20.375 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 77.819 63.960 46.656 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 78.686 63.555 46.633 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 77.908 64.747 46.119 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 68.507 38.665 66.502 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 68.264 39.315 67.161 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 69.232 38.181 66.897 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 55.155 15.920 -16.851 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 55.269 16.706 -16.316 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 55.715 15.264 -16.438 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 74.131 85.680 20.417 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 74.428 84.782 20.266 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 74.102 86.074 19.545 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 38.725 70.288 21.364 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 38.798 71.104 21.859 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 39.287 69.672 21.832 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 70.139 67.175 25.487 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 69.926 66.736 26.310 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 70.031 66.498 24.819 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 42.776 57.848 46.403 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 41.970 58.353 46.296 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 43.082 57.691 45.510 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 48.608 70.149 7.535 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 48.149 70.311 8.360 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 49.536 70.227 7.758 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 45.443 55.977 -12.605 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 45.645 55.072 -12.366 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 46.016 56.506 -12.050 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 80.219 77.890 -3.073 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 79.788 78.054 -3.912 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 79.689 77.208 -2.660 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 89.109 49.746 64.600 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 88.741 49.141 63.957 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 89.730 50.278 64.101 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 25.443 0.254 -1.578 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 24.701 0.794 -1.307 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 25.952 0.820 -2.159 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 86.878 36.398 47.777 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 87.313 37.244 47.881 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 87.313 35.996 47.024 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 20.747 70.350 -2.347 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 21.530 69.816 -2.209 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 20.023 69.725 -2.320 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 56.631 17.147 17.007 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 56.715 17.975 17.480 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 55.930 17.302 16.374 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 24.720 92.343 -2.296 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 25.073 91.583 -2.758 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 23.799 92.127 -2.148 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 26.869 66.416 14.778 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 26.963 67.181 14.211 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 27.264 66.681 15.608 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 89.914 71.448 65.375 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 90.146 71.466 66.303 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 90.734 71.239 64.927 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 39.692 13.201 45.692 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 40.365 13.859 45.863 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 39.305 13.024 46.549 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 42.403 45.785 50.208 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 43.075 45.613 50.868 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 42.815 46.400 49.602 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 84.022 80.299 21.682 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 84.712 80.353 21.021 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 84.366 79.695 22.340 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 60.967 15.261 65.999 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 60.463 14.754 66.634 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 60.313 15.601 65.388 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 22.255 16.354 56.240 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 22.242 15.411 56.075 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 21.358 16.564 56.498 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 87.823 96.216 16.729 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 86.902 96.474 16.682 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 88.036 95.925 15.843 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 55.446 94.719 12.733 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 55.977 95.511 12.819 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 54.688 94.994 12.218 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 23.924 90.234 46.749 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 23.809 91.091 47.160 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 24.825 90.241 46.427 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 29.338 26.477 65.499 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 29.941 25.985 66.056 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 28.960 25.819 64.915 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 73.206 34.828 -12.554 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 72.548 34.346 -12.053 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 73.927 34.961 -11.939 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 54.354 87.282 7.319 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 53.955 86.853 6.563 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 53.850 86.964 8.069 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 81.865 92.634 16.937 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 80.964 92.850 17.176 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 82.367 92.778 17.739 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 65.100 0.948 17.056 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 64.351 1.472 16.774 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 64.775 0.447 17.804 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 46.355 77.137 17.617 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 46.896 76.834 16.888 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 45.455 77.020 17.313 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 87.961 56.150 33.898 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 87.537 56.757 34.506 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 88.845 56.040 34.247 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 26.468 86.097 4.099 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 26.848 85.818 4.932 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 27.026 85.694 3.434 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 60.696 84.246 -5.107 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 61.078 83.456 -5.489 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 59.751 84.097 -5.140 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 67.141 27.807 37.426 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 67.254 27.257 38.200 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 67.899 27.608 36.877 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 46.108 12.389 4.901 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 45.232 12.651 5.183 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 46.450 13.154 4.438 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 53.992 63.641 11.453 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 54.695 63.352 12.035 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 54.410 64.272 10.867 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 69.710 37.764 -5.130 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 69.382 38.038 -4.274 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 70.552 37.350 -4.944 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 67.422 83.778 66.112 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 68.240 83.667 65.628 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 66.740 83.747 65.440 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 36.936 91.130 -5.087 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 36.314 91.048 -4.364 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 37.530 90.387 -4.979 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 56.073 94.972 29.785 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 55.906 95.352 28.923 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 55.659 95.579 30.399 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 27.406 0.218 3.677 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 27.649 0.103 2.758 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 27.608 1.134 3.866 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 61.191 6.453 22.435 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 60.472 6.562 21.813 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 61.224 7.283 22.911 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 62.137 90.992 -12.124 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 62.335 91.893 -11.866 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 61.197 90.996 -12.305 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 57.600 95.277 -0.864 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 56.829 95.575 -1.346 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 57.251 94.692 -0.191 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 81.535 58.073 54.979 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 81.400 58.045 54.032 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 80.967 57.383 55.323 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 88.601 31.159 44.886 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 88.601 31.424 45.806 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 88.660 30.204 44.912 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 70.013 33.033 36.870 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 69.753 33.779 37.411 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 70.252 33.419 36.027 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 83.552 86.637 62.499 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 83.577 86.023 61.765 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 83.708 86.095 63.272 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 42.378 48.957 -11.333 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 43.329 49.051 -11.387 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 42.074 49.796 -10.985 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 32.436 3.047 0.425 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 32.514 3.936 0.773 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 33.329 2.808 0.177 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 33.528 91.799 2.065 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 33.026 92.599 1.911 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 33.167 91.442 2.876 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 64.181 95.547 -19.214 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 65.070 95.377 -18.903 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 63.704 95.830 -18.433 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 62.519 73.322 -18.232 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 62.878 72.437 -18.291 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 62.153 73.374 -17.349 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 25.943 38.686 -11.457 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 26.836 38.922 -11.206 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 26.050 37.944 -12.053 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 66.350 58.784 -13.993 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 66.042 59.689 -14.057 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 67.157 58.768 -14.506 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 69.605 60.353 32.286 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 68.969 60.621 32.949 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 69.279 59.511 31.968 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 82.558 4.757 50.091 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 83.022 5.499 49.705 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 82.723 4.031 49.490 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 24.092 0.616 -16.666 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 24.767 0.987 -16.097 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 24.296 -0.319 -16.700 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 57.075 74.422 25.594 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 56.880 73.561 25.965 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 56.279 74.665 25.120 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 90.234 51.809 29.432 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 90.705 52.526 29.008 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 89.842 51.319 28.710 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 50.217 38.766 -18.579 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 50.931 39.155 -18.074 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 49.938 38.012 -18.059 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 41.394 69.928 51.750 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 41.992 69.938 51.003 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 41.317 69.003 51.984 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 48.757 30.914 56.376 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 48.116 31.148 55.705 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 48.624 31.559 57.071 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 51.502 92.091 14.625 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 52.216 92.352 14.044 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 51.939 91.777 15.416 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 48.104 77.065 31.533 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 48.524 76.354 31.050 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 47.934 76.697 32.401 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 39.403 66.833 -2.908 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 39.822 66.926 -2.053 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 38.584 66.372 -2.725 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 83.171 72.840 -2.472 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 82.614 72.065 -2.400 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 84.064 72.497 -2.436 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 29.875 26.522 22.459 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 29.281 26.966 21.854 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 30.751 26.746 22.142 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 89.831 56.039 5.887 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 89.421 55.240 5.556 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 90.011 56.558 5.103 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 82.419 9.054 52.615 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 81.986 9.727 53.140 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 81.710 8.475 52.335 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 58.552 6.065 -2.613 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 59.036 6.636 -2.017 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 58.188 5.382 -2.049 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 73.716 80.010 57.532 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 73.665 80.888 57.154 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 74.044 80.151 58.421 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 60.584 90.839 -1.940 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 59.734 90.552 -2.274 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 60.670 91.742 -2.245 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 21.315 23.595 3.031 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 21.786 24.314 2.609 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 21.347 23.803 3.965 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 79.950 33.529 11.922 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 80.902 33.601 11.844 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 79.664 34.405 12.179 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 53.908 36.367 46.141 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 54.675 36.415 46.713 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 53.858 35.447 45.883 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 67.412 25.536 63.838 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 67.857 25.987 63.121 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 68.038 25.561 64.562 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 79.179 73.179 -1.318 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 78.451 72.620 -1.045 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 79.961 72.727 -1.000 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 25.882 46.545 35.787 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 26.058 46.637 34.851 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 26.336 45.741 36.039 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 32.142 7.372 -6.628 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 32.902 7.077 -6.126 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 31.391 7.001 -6.165 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 88.200 40.969 47.656 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 89.023 41.308 48.008 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 87.969 40.246 48.239 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 68.676 71.626 31.180 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 68.380 70.990 30.529 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 67.907 71.782 31.729 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 40.278 83.888 -15.226 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 40.163 84.659 -14.670 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 41.184 83.619 -15.079 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 86.185 54.304 32.768 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 86.650 54.986 33.253 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 85.451 54.760 32.356 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 41.732 67.476 52.797 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 42.554 67.743 53.209 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 41.217 67.102 53.512 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 28.770 83.744 31.945 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 28.347 84.594 32.073 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 28.783 83.349 32.816 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 32.516 87.988 -0.293 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 32.638 88.931 -0.405 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 32.393 87.873 0.650 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 68.903 8.454 37.956 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 69.278 8.733 37.121 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 69.478 8.838 38.618 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 29.373 6.855 28.785 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 28.648 6.930 29.405 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 28.977 7.028 27.931 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 26.535 60.008 6.693 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 27.003 60.157 7.514 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 25.785 60.601 6.732 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 61.548 89.756 0.490 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 61.235 90.163 -0.318 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 62.364 89.323 0.241 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 47.712 93.999 33.458 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 48.530 94.023 32.960 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 47.056 93.703 32.826 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 44.123 37.249 57.948 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 44.143 38.113 57.535 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 43.408 36.789 57.508 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 83.225 89.368 27.901 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 84.012 89.901 27.785 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 83.540 88.562 28.311 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 37.119 95.198 57.127 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 36.840 95.237 58.041 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 37.285 94.269 56.965 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 28.585 33.511 12.035 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 28.925 32.978 11.316 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 28.792 33.009 12.823 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 54.338 31.437 -3.223 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 53.730 32.098 -3.553 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 54.768 31.857 -2.478 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 32.025 37.122 -5.376 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 32.465 36.274 -5.329 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 32.058 37.460 -4.481 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 28.553 39.483 -10.698 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 28.609 40.282 -10.173 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 29.411 39.410 -11.117 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 51.260 81.983 -9.742 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 51.075 81.277 -10.362 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 51.160 82.785 -10.255 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 63.631 86.532 2.522 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 63.178 86.691 1.693 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 63.791 85.588 2.530 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 78.720 13.798 56.721 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 79.024 13.260 57.452 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 78.245 13.188 56.156 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 35.779 4.020 43.332 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 36.209 3.170 43.245 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 36.321 4.617 42.815 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 61.015 36.708 62.217 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 60.579 37.560 62.217 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 61.850 36.866 62.656 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 33.914 27.241 46.702 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 33.640 28.143 46.867 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 34.339 27.273 45.845 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 50.801 89.969 -6.563 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 49.946 89.736 -6.925 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 50.932 90.881 -6.824 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 72.435 73.641 -0.812 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 71.880 74.377 -0.552 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 71.875 73.105 -1.374 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 84.292 84.578 25.019 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 83.490 84.083 24.851 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 84.294 84.716 25.967 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 83.488 75.321 3.083 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 83.161 76.165 3.392 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 84.401 75.297 3.368 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 83.401 75.947 -15.540 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 83.927 76.320 -14.833 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 82.921 76.692 -15.901 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 28.386 7.125 12.677 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 28.737 7.431 13.513 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 29.045 7.384 12.032 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 72.280 16.472 -1.561 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 71.833 17.311 -1.448 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 72.595 16.248 -0.686 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 63.725 53.533 13.265 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 64.023 54.421 13.461 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 63.207 53.279 14.029 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 49.664 2.342 47.634 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 50.064 1.657 48.169 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 48.940 1.905 47.186 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 39.963 32.821 -8.936 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 39.372 32.381 -8.325 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 39.480 33.597 -9.221 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 69.874 78.735 46.713 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 69.238 79.444 46.813 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 69.390 78.040 46.267 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 59.309 84.785 18.110 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 58.390 84.520 18.158 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 59.701 84.434 18.910 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 54.174 31.504 16.821 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 54.285 32.109 17.555 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 53.584 30.828 17.155 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 26.248 57.360 62.485 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 25.312 57.267 62.305 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 26.671 56.761 61.870 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 81.159 55.338 -10.715 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 81.506 55.137 -9.846 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 81.149 54.495 -11.170 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 90.730 27.628 64.559 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 89.838 27.630 64.212 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 90.775 26.839 65.099 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 59.580 88.554 41.529 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 59.276 88.846 42.389 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 60.478 88.259 41.679 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 39.719 1.428 -16.334 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 40.264 2.207 -16.220 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 38.840 1.771 -16.492 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 28.034 35.976 54.331 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 28.323 35.840 53.428 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 28.765 35.665 54.865 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 46.269 15.797 -18.459 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 46.050 16.204 -17.620 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 47.206 15.959 -18.566 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 44.822 49.204 37.679 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 45.423 48.750 37.087 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 44.046 48.644 37.707 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 26.852 21.716 11.284 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 27.144 21.770 10.374 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 26.891 20.782 11.493 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 55.370 51.640 -5.850 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 56.248 51.789 -6.203 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 55.518 51.170 -5.030 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 68.791 79.785 37.818 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 68.378 80.600 37.532 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 68.807 79.236 37.034 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 51.593 4.124 62.520 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 50.918 3.451 62.617 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 52.418 3.638 62.519 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 60.921 6.522 13.030 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 60.890 6.558 12.074 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 60.003 6.518 13.301 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 41.833 15.230 -14.929 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 42.779 15.272 -15.068 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 41.630 14.295 -14.937 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 68.011 88.911 58.912 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 67.264 89.235 58.409 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 68.548 89.687 59.071 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 47.719 10.260 22.431 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 46.923 10.777 22.303 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 47.931 9.926 21.559 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 46.771 17.066 -7.773 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 45.870 17.304 -7.555 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 46.690 16.255 -8.275 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 52.206 84.898 50.630 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 51.361 84.601 50.291 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 52.045 85.795 50.923 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 45.256 91.273 17.802 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 45.509 91.386 16.886 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 45.797 90.547 18.113 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 49.175 92.829 64.465 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 49.776 92.713 63.729 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 49.185 93.770 64.638 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 50.727 42.215 65.686 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 51.636 42.143 65.975 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 50.718 42.978 65.109 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 46.658 12.645 47.491 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 47.048 12.367 46.662 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 46.004 13.299 47.241 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 39.555 88.994 -8.318 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 40.127 88.915 -7.555 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 40.143 89.219 -9.038 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 72.844 55.091 1.344 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 72.464 55.646 0.663 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 72.106 54.866 1.910 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 56.381 84.508 0.241 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 56.377 84.323 -0.698 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 55.457 84.616 0.468 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 72.598 59.323 18.978 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 72.950 58.604 18.454 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 71.712 59.042 19.209 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 63.318 31.979 32.266 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 63.865 32.582 31.761 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 62.698 32.546 32.725 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 77.364 40.926 8.895 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 77.461 41.396 9.723 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 77.312 41.615 8.232 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 37.511 74.532 19.521 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 36.889 74.175 20.154 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 38.263 73.941 19.565 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 40.716 44.440 40.926 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 41.059 45.178 41.430 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 40.512 44.810 40.067 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 85.377 56.148 -19.588 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 84.775 55.697 -20.180 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 85.679 55.466 -18.988 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 58.420 35.233 39.863 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 58.555 35.208 38.915 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 58.063 36.105 40.031 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 32.604 47.487 29.941 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 33.271 47.090 30.501 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 32.915 47.329 29.049 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 33.897 34.364 4.293 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 33.168 33.790 4.057 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 34.072 34.163 5.212 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 78.580 38.958 14.172 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 77.712 38.931 14.575 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 78.783 39.891 14.103 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 25.873 40.487 20.388 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 26.714 40.743 20.769 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 25.913 40.802 19.485 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 28.430 51.851 25.976 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 28.617 51.087 25.430 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 29.258 52.041 26.416 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 87.608 96.316 40.309 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 87.112 97.029 39.908 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 87.462 95.567 39.731 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 46.061 90.403 27.519 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 46.710 90.231 26.837 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 45.411 89.709 27.412 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 50.889 22.682 36.287 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 50.843 21.946 35.676 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 50.514 23.418 35.803 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 83.145 68.327 57.361 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 83.707 68.096 58.101 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 83.749 68.442 56.628 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 27.332 24.525 -7.997 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 27.894 24.550 -8.772 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 27.913 24.750 -7.271 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 39.141 28.844 -4.007 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 38.648 29.489 -3.501 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 40.057 29.022 -3.796 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 38.933 60.454 -16.815 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 38.223 61.094 -16.756 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 39.694 60.906 -16.449 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 49.404 55.521 4.002 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 48.782 55.922 4.609 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 50.262 55.818 4.305 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 52.359 23.452 -9.905 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 52.623 23.677 -9.013 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 51.768 22.707 -9.800 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 24.128 45.705 13.701 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 24.023 45.000 14.341 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 25.017 45.592 13.364 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 28.678 23.282 66.490 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 28.098 22.586 66.798 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 28.252 23.617 65.701 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 82.467 59.875 3.677 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 82.374 59.032 4.120 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 81.813 59.852 2.978 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 72.215 19.206 41.232 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 72.425 20.071 40.882 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 71.683 18.794 40.552 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 69.686 8.252 -2.955 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 70.046 8.200 -2.070 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 69.697 7.349 -3.272 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 52.713 49.078 52.173 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 53.029 48.216 51.902 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 53.508 49.600 52.286 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 79.685 23.325 58.495 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 79.034 23.928 58.134 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 80.024 22.854 57.734 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 40.663 14.255 40.086 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 40.812 13.509 39.506 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 40.248 14.914 39.529 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 69.457 47.552 -9.976 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 68.962 48.238 -10.423 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 68.876 47.254 -9.276 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 23.784 19.330 35.505 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 23.668 19.847 34.708 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 24.083 19.961 36.160 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 36.678 47.738 24.765 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 35.755 47.972 24.661 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 36.691 46.782 24.709 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 76.114 21.367 13.179 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 76.266 21.288 14.121 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 75.161 21.387 13.090 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 87.698 65.254 55.148 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 88.243 65.147 55.928 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 86.805 65.104 55.457 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 63.982 80.037 25.004 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 64.635 80.393 25.607 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 63.216 79.866 25.552 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 38.467 81.708 -15.609 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 39.216 82.257 -15.380 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 38.631 80.879 -15.159 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 32.464 67.346 52.236 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 33.184 67.793 52.681 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 32.891 66.683 51.693 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 79.596 31.483 19.674 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 78.891 31.199 20.257 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 80.135 32.060 20.214 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 61.158 10.706 45.516 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 60.984 11.591 45.835 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 60.421 10.510 44.937 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 42.893 43.138 44.066 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 43.368 43.132 43.235 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 42.596 44.042 44.167 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 32.067 47.149 -6.162 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 32.125 47.905 -5.578 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 31.138 47.090 -6.387 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 31.604 42.869 41.071 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 31.562 43.148 40.157 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 31.277 43.620 41.566 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 36.082 28.114 44.155 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 36.281 28.460 43.285 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 36.670 27.365 44.256 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 81.328 60.798 5.898 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 81.067 60.216 6.612 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 81.771 60.225 5.272 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 45.254 53.111 45.342 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 45.734 53.936 45.270 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 44.841 52.998 44.486 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 52.265 4.086 -15.811 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 52.740 3.759 -16.575 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 52.915 4.591 -15.322 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 24.005 46.825 -7.584 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 24.752 46.986 -8.161 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 24.271 47.189 -6.740 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 87.083 50.321 8.390 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 87.809 50.933 8.272 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 87.503 49.491 8.614 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 59.864 26.943 -1.214 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 59.434 27.087 -2.057 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 60.213 26.054 -1.271 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 62.836 83.224 33.695 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 63.464 83.890 33.415 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 62.040 83.714 33.899 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 74.177 79.088 51.683 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 73.583 78.403 51.377 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 73.650 79.887 51.669 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 38.427 71.061 -11.382 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 38.632 70.354 -10.770 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 38.960 71.798 -11.084 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 58.152 65.681 57.484 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 57.858 64.825 57.172 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 57.351 66.120 57.773 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 64.903 37.666 41.781 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 65.067 37.041 42.488 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 63.994 37.508 41.528 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 48.858 11.605 -16.112 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 48.494 12.279 -16.686 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 48.199 11.491 -15.427 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 42.604 45.265 16.713 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 43.521 45.535 16.667 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 42.113 46.086 16.760 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 33.404 45.984 -8.145 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 32.889 46.234 -7.378 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 32.857 45.347 -8.604 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 88.796 26.510 46.652 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 88.705 25.575 46.472 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 87.899 26.820 46.775 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 29.945 96.581 31.923 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 29.143 96.581 32.446 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 30.599 96.167 32.487 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 71.782 73.423 35.546 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 71.866 72.683 34.945 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 70.843 73.610 35.566 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 78.137 31.465 17.109 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 78.577 31.390 17.956 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 78.842 31.639 16.486 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 54.287 46.379 -16.166 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 54.473 46.394 -17.104 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 55.006 45.874 -15.786 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 56.850 32.423 51.571 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 56.843 33.216 51.035 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 56.473 32.696 52.408 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 63.545 63.489 -19.322 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 62.606 63.673 -19.332 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 63.605 62.538 -19.419 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 62.594 47.622 -12.214 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 62.258 46.725 -12.224 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 63.077 47.688 -11.391 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 72.782 14.887 61.285 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 72.734 15.755 61.685 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 72.158 14.923 60.559 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 74.207 64.234 -19.519 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 73.889 63.567 -20.128 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 74.779 63.758 -18.918 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 72.502 36.719 8.506 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 71.669 36.779 8.037 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 72.480 37.446 9.128 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 64.053 58.659 -1.975 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 63.182 58.859 -1.633 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 63.960 57.795 -2.376 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 74.406 11.551 -6.581 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 74.160 12.421 -6.896 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 75.188 11.326 -7.086 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 66.389 75.183 43.974 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 65.985 75.223 43.108 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 67.258 74.812 43.817 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 49.515 44.081 2.587 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 49.234 44.226 1.684 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 50.454 44.266 2.578 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 58.053 56.457 1.170 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 57.479 57.223 1.134 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 57.691 55.918 1.873 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 26.764 31.684 59.029 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 26.666 32.067 59.900 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 26.201 30.909 59.042 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 30.801 82.235 40.206 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 31.487 81.957 40.812 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 30.017 82.312 40.750 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 69.187 27.474 63.020 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 69.965 28.020 63.131 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 69.401 26.897 62.287 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 42.117 10.429 12.855 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 42.641 10.354 13.652 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 41.324 9.925 13.041 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 50.432 41.511 8.429 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 50.017 41.639 9.282 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 50.739 40.605 8.445 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 79.853 80.871 -8.642 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 79.844 81.536 -9.331 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 78.929 80.722 -8.441 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 34.857 48.967 16.288 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 34.763 49.855 16.632 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 34.945 48.416 17.066 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 58.403 35.583 8.239 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 58.114 36.269 8.840 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 58.159 35.906 7.371 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 30.585 22.692 55.755 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 30.692 22.492 54.825 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 31.197 23.410 55.918 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 38.584 68.187 -18.482 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 39.407 68.624 -18.263 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 37.909 68.838 -18.291 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 49.725 31.413 -13.063 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 50.288 32.160 -12.861 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 49.807 30.838 -12.302 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 50.497 87.600 40.967 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 49.635 87.481 41.366 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 50.417 87.201 40.100 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 76.357 60.773 6.912 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 76.812 60.156 7.485 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 76.818 61.603 7.038 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 77.993 33.614 1.704 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 77.816 34.343 2.299 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 77.197 33.083 1.732 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 68.371 41.664 8.281 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 67.596 42.138 8.582 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 68.745 41.286 9.077 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 57.428 33.494 6.764 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 57.941 34.148 7.238 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 56.690 33.302 7.342 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 56.876 3.542 15.396 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 57.149 4.418 15.667 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 57.663 3.005 15.490 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 83.585 39.858 -2.421 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 83.627 40.283 -3.277 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 83.780 40.557 -1.796 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 21.609 76.480 22.796 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 20.894 76.389 22.166 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 22.135 75.689 22.678 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 42.721 30.463 -14.206 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 43.477 30.932 -14.559 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 43.092 29.676 -13.807 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 53.604 23.932 40.916 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 54.180 23.645 40.206 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 53.011 23.194 41.056 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 57.466 5.471 21.815 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 58.121 5.926 21.286 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 56.722 6.073 21.846 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 23.524 37.912 -10.535 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 24.345 38.399 -10.461 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 22.883 38.563 -10.821 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 39.579 90.103 -0.781 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 38.915 90.654 -1.196 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 40.397 90.343 -1.218 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 67.288 35.557 -1.886 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 66.689 35.362 -1.165 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 67.144 34.850 -2.515 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 63.275 46.946 -6.389 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 62.578 47.155 -7.010 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 63.693 47.788 -6.206 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 66.306 4.307 30.353 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 65.946 3.578 30.859 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 65.573 4.916 30.256 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 89.019 56.418 31.049 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 88.288 56.321 31.660 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 88.638 56.858 30.288 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 41.858 37.453 34.674 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 41.086 37.468 35.239 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 41.972 38.362 34.398 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 61.091 62.988 -12.215 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 60.781 63.881 -12.066 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 60.724 62.482 -11.490 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 65.759 80.584 45.403 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 65.526 79.681 45.186 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 65.403 80.720 46.281 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 75.686 73.627 59.433 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 75.270 72.821 59.128 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 75.414 73.707 60.347 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 32.982 5.993 -9.090 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 32.889 6.513 -8.291 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 32.531 5.171 -8.895 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 62.184 79.366 37.370 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 62.065 79.238 36.429 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 61.295 79.389 37.724 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 61.179 73.368 6.444 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 61.764 73.890 6.994 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 60.848 72.685 7.027 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 53.986 24.589 -19.044 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 54.075 25.537 -19.144 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 54.264 24.416 -18.145 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 43.855 68.182 54.639 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 44.142 68.450 53.766 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 44.639 67.817 55.048 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 62.606 60.239 -13.893 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 61.650 60.260 -13.844 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 62.890 60.976 -13.352 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 46.185 13.718 -15.596 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 46.869 14.370 -15.748 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 46.613 13.037 -15.078 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 54.927 10.645 22.245 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 54.223 10.444 21.629 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 55.486 11.265 21.776 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 60.289 47.329 13.617 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 59.615 46.675 13.798 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 60.204 47.965 14.328 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 49.229 72.550 58.980 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 49.219 71.897 59.680 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 48.584 72.234 58.348 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 40.288 16.809 53.503 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 40.512 17.183 54.355 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 39.840 17.517 53.040 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 78.164 27.809 60.507 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 78.200 28.148 59.613 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 78.910 27.213 60.568 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 90.913 23.827 -1.422 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 90.157 24.345 -1.699 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 90.606 23.347 -0.653 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 34.078 44.992 57.778 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 34.804 44.473 57.432 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 34.319 45.899 57.590 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 67.334 75.849 4.566 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 66.958 75.800 5.445 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 68.277 75.921 4.712 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 34.360 70.235 60.313 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 33.845 69.504 59.971 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 34.107 70.297 61.234 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 52.809 20.878 18.762 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 52.083 20.707 19.362 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 53.216 21.676 19.099 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 48.046 9.779 59.092 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 47.212 10.178 58.845 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 47.840 9.252 59.864 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 72.153 27.116 18.921 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 72.760 27.525 18.304 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 72.681 26.946 19.701 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 38.270 56.337 59.625 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 37.958 55.987 58.791 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 37.966 55.707 60.279 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 60.773 72.224 46.084 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 61.540 71.682 45.897 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 60.376 71.819 46.855 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 84.122 40.481 3.960 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 84.190 41.144 4.647 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 84.132 39.647 4.430 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 78.656 26.549 63.425 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 77.814 26.672 62.987 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 78.882 27.417 63.758 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 74.789 75.092 17.837 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 75.352 74.350 17.616 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 74.275 74.788 18.585 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 87.195 18.024 53.613 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 87.751 18.406 54.293 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 87.809 17.711 52.949 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 85.109 20.733 42.287 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 84.425 21.265 42.695 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 85.737 21.370 41.948 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 82.016 23.203 -19.244 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 82.858 22.884 -18.920 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 82.090 24.156 -19.210 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 72.694 56.945 46.014 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 71.833 57.080 46.408 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 72.523 56.898 45.073 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 21.550 83.912 -7.446 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 22.102 84.676 -7.610 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 21.524 83.834 -6.492 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 41.941 57.433 17.930 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 41.328 58.153 18.078 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 42.539 57.761 17.258 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 68.096 36.673 -16.256 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 67.457 36.805 -16.956 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 67.577 36.376 -15.509 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 53.772 59.569 -9.488 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 54.642 59.874 -9.743 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 53.631 59.945 -8.619 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 84.194 79.936 43.290 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 84.429 79.064 43.608 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 83.809 80.373 44.050 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 63.360 59.711 38.614 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 63.453 59.177 39.403 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 62.590 59.355 38.173 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 37.324 8.026 42.229 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 36.505 8.003 42.724 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 37.147 8.624 41.502 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 46.930 90.871 15.734 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 47.600 90.192 15.814 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 47.404 91.641 15.419 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 22.435 38.772 23.499 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 22.835 39.454 22.959 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 21.607 38.575 23.061 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 43.964 52.712 27.384 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 43.448 52.535 26.597 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 44.769 53.113 27.057 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 30.739 12.999 45.636 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 31.585 12.691 45.312 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 30.955 13.533 46.400 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 40.318 51.722 34.638 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 40.436 52.602 34.994 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 40.604 51.790 33.727 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 42.153 27.452 -8.127 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 41.603 26.817 -8.586 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 42.053 28.261 -8.627 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 49.648 62.839 -12.484 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 50.275 63.159 -13.132 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 48.816 63.241 -12.736 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 83.272 33.237 2.531 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 83.180 33.965 3.146 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 82.452 32.749 2.613 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 53.239 14.756 19.545 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 53.351 15.707 19.535 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 52.483 14.609 20.113 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 67.080 92.994 4.767 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 67.693 92.374 5.164 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 66.305 92.470 4.567 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 42.541 22.047 -18.394 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 41.932 22.178 -19.121 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 42.505 21.107 -18.216 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 22.290 91.085 -10.527 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 21.416 91.013 -10.910 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 22.238 90.584 -9.714 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 68.660 57.250 -10.052 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 68.268 58.123 -10.031 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 69.411 57.310 -9.460 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 70.855 6.935 -16.853 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 70.742 7.078 -17.792 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 71.651 6.409 -16.784 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 40.597 78.630 62.845 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 41.507 78.540 63.129 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 40.285 77.730 62.751 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 74.820 39.711 11.307 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 74.842 40.654 11.148 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 74.560 39.332 10.468 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 86.075 42.953 -19.999 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 86.923 43.329 -20.234 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 85.611 43.665 -19.558 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 41.614 49.125 35.093 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 41.113 49.928 34.954 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 42.452 49.285 34.660 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 88.440 44.192 21.738 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 87.675 44.688 22.028 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 89.068 44.859 21.462 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 53.027 82.743 40.358 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 53.048 82.001 39.754 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 52.772 83.488 39.813 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 36.233 63.710 3.740 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 36.766 62.916 3.741 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 35.849 63.743 4.616 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 64.334 63.353 22.847 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 63.380 63.316 22.782 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 64.638 62.583 22.367 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 89.483 44.245 40.245 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 89.527 44.505 39.325 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 90.167 43.582 40.341 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 69.827 73.999 40.283 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 70.650 73.719 40.684 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 69.366 73.183 40.087 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 22.035 30.623 40.414 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 22.473 29.800 40.196 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 21.688 30.938 39.579 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 76.882 86.657 62.488 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 76.771 87.578 62.722 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 77.713 86.406 62.890 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 24.692 80.483 53.122 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 24.332 81.257 53.557 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 25.126 79.995 53.821 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 85.626 34.803 -1.871 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 86.507 34.524 -1.619 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 85.083 34.600 -1.110 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 63.984 17.683 -5.626 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 64.466 18.508 -5.580 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 63.269 17.856 -6.238 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 54.098 15.120 49.558 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 54.124 15.008 48.608 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 53.810 14.270 49.892 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 60.233 74.171 28.427 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 59.552 74.188 29.099 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 59.939 73.508 27.803 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 45.648 52.744 58.870 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 46.311 53.232 58.381 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 45.999 52.689 59.759 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 73.638 51.355 21.956 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 74.304 50.800 21.550 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 72.934 51.398 21.309 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 26.869 43.891 25.288 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 26.894 43.541 24.397 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 25.950 43.823 25.547 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 29.921 53.253 54.670 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 29.096 52.826 54.904 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 30.358 52.629 54.091 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 37.129 29.529 12.556 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 37.915 29.203 12.995 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 36.414 29.317 13.156 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 53.706 18.229 -1.582 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 53.180 18.822 -1.045 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 54.606 18.532 -1.461 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 37.702 12.984 40.772 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 37.765 13.235 41.693 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 37.468 13.793 40.317 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 68.395 81.176 66.908 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 68.091 81.937 66.413 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 67.673 80.973 67.503 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 89.532 47.548 1.490 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 89.398 48.148 2.223 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 89.153 48.000 0.737 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 60.472 88.130 -13.652 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 60.199 88.856 -14.214 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 60.879 88.552 -12.895 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 33.386 58.188 9.821 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 33.223 57.718 10.640 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 34.243 58.595 9.945 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 23.053 9.491 52.305 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 23.175 9.070 51.454 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 23.213 10.420 52.138 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 85.181 1.713 47.626 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 84.450 1.520 47.040 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 84.881 1.425 48.488 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 47.225 44.360 1.063 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 47.370 43.714 0.371 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 47.172 45.197 0.602 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 39.531 88.777 18.686 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 40.048 89.582 18.690 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 39.988 88.201 18.073 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 60.803 10.643 33.612 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 61.208 10.510 32.755 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 59.956 11.044 33.417 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 32.115 81.832 -0.110 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 31.504 82.359 -0.625 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 32.471 81.199 -0.734 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 70.853 41.131 54.375 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 70.110 41.697 54.586 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 71.570 41.736 54.187 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 80.288 17.264 4.739 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 79.473 17.496 4.292 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 80.617 18.095 5.083 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 22.499 77.265 6.811 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 22.993 76.995 6.037 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 23.159 77.352 7.499 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 79.121 51.504 -16.827 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 79.663 51.689 -17.594 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 78.460 52.195 -16.828 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 22.047 78.767 -9.103 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 22.325 77.914 -8.770 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 22.619 78.931 -9.852 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 43.413 24.796 58.039 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 43.379 25.607 58.545 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 42.511 24.654 57.751 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 73.913 58.574 -18.748 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 74.694 58.139 -19.092 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 74.165 58.864 -17.872 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 87.637 1.088 9.985 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 87.526 0.139 10.033 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 87.018 1.435 10.627 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 50.004 57.688 -5.920 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 50.358 58.515 -5.593 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 50.770 57.205 -6.231 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 85.158 57.711 59.029 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 85.900 57.261 58.624 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 85.510 58.068 59.845 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 52.321 7.295 -17.045 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 52.311 7.208 -17.998 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 51.412 7.151 -16.781 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 57.030 32.947 45.543 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 57.012 33.495 44.758 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 57.215 32.066 45.216 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 51.657 20.225 -2.215 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 50.937 20.675 -2.658 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 52.002 20.873 -1.600 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 50.266 12.926 27.401 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 49.979 12.607 26.545 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 50.823 13.678 27.202 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 53.822 94.132 -7.656 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 54.075 93.235 -7.876 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 53.383 94.457 -8.442 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 81.675 94.128 -13.382 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 81.040 93.690 -13.949 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 82.503 94.066 -13.857 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 28.378 39.774 23.127 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 29.152 39.212 23.092 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 28.185 39.974 22.212 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 53.160 55.212 19.265 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 54.074 54.976 19.422 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 53.046 56.046 19.722 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 89.067 47.222 13.192 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 89.432 46.345 13.077 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 88.283 47.088 13.724 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 36.308 62.211 11.193 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 36.404 62.902 10.537 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 37.177 62.132 11.587 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 86.681 37.850 28.212 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 86.317 38.310 27.456 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 87.621 37.809 28.039 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 38.356 77.647 50.228 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 37.990 77.114 49.522 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 38.084 78.541 50.019 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 55.649 38.284 64.958 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 55.917 37.378 64.801 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 54.700 38.278 64.829 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 77.128 72.924 16.131 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 76.402 73.437 15.776 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 77.508 72.486 15.370 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 85.300 78.689 39.375 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 84.756 79.278 39.899 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 85.465 79.172 38.565 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 62.033 8.449 47.847 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 62.029 8.179 46.929 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 61.355 7.913 48.259 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 30.245 81.214 -11.701 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 30.216 81.713 -12.517 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 29.827 81.785 -11.056 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 42.486 54.436 46.372 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 43.190 54.360 47.016 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 42.911 54.271 45.530 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 87.800 78.893 4.820 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 88.614 78.403 4.936 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 87.129 78.343 5.224 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 83.637 56.462 13.656 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 83.896 56.367 14.573 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 82.992 55.769 13.515 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 77.709 89.888 9.988 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 77.322 89.598 9.162 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 77.916 89.077 10.454 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 61.618 94.740 63.301 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 60.687 94.519 63.283 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 62.035 94.065 62.765 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 66.425 23.667 23.056 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 67.352 23.747 23.279 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 65.993 23.480 23.889 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 89.086 23.487 -19.272 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 88.833 23.934 -18.464 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 88.266 23.136 -19.618 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 40.036 10.457 26.470 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 40.496 10.630 27.291 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 40.727 10.437 25.807 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 77.612 87.588 18.758 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 78.238 88.305 18.862 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 77.683 87.088 19.571 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 69.653 55.695 28.939 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 70.042 55.755 28.067 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 69.142 54.886 28.920 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 47.753 18.337 56.818 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 47.926 17.418 56.615 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 47.276 18.666 56.056 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 53.325 44.520 61.917 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 53.734 44.030 62.630 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 53.619 45.422 62.046 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 47.823 13.607 19.180 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 47.529 14.269 18.554 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 48.585 14.000 19.605 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 46.152 51.688 42.776 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 46.662 51.201 42.128 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 45.337 51.907 42.325 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 87.469 39.515 -6.898 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 87.531 40.430 -6.623 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 88.358 39.284 -7.166 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 48.669 10.853 28.603 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 47.885 10.971 28.066 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 49.139 11.683 28.528 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 54.942 10.885 44.183 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 54.219 10.287 43.997 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 55.034 10.862 45.135 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 54.169 12.028 3.442 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 54.395 12.029 4.372 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 53.218 12.137 3.426 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 60.429 32.036 -5.991 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 59.867 31.671 -6.674 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 60.350 32.984 -6.097 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 87.886 79.156 40.430 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 87.744 78.344 40.916 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 87.007 79.454 40.198 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 38.612 2.705 29.892 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 39.341 2.363 29.374 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 39.017 3.327 30.496 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 83.662 20.880 7.076 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 84.537 20.502 6.993 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 83.168 20.233 7.580 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 26.705 1.411 -9.181 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 26.949 1.379 -8.256 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 25.828 1.794 -9.185 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 79.441 33.532 49.548 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 80.363 33.281 49.595 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 79.242 33.540 48.611 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 30.955 11.052 -16.287 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 31.401 10.707 -17.061 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 30.479 11.819 -16.606 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 53.226 81.262 23.846 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 53.286 80.650 24.579 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 52.585 81.914 24.129 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 62.757 93.563 -11.160 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 63.619 93.974 -11.237 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 62.137 94.285 -11.259 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 52.876 22.889 23.647 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 53.251 22.975 24.523 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 52.867 23.782 23.301 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 20.162 70.633 38.466 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 20.277 71.503 38.848 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 20.997 70.191 38.618 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 81.038 26.496 -6.605 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 81.972 26.334 -6.469 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 80.661 25.627 -6.742 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 34.112 94.582 36.735 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 34.110 93.708 37.127 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 35.037 94.767 36.569 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 59.711 82.990 36.871 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 58.777 82.922 36.672 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 59.963 82.108 37.143 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 71.789 79.340 37.636 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 71.119 79.641 38.250 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 71.374 79.404 36.776 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 36.981 58.767 59.728 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 37.093 57.820 59.809 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 37.617 59.138 60.340 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 48.846 90.739 -0.641 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 48.057 90.702 -0.101 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 49.290 89.907 -0.473 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 48.674 26.924 36.617 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 47.868 26.990 36.106 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 48.379 26.744 37.509 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 43.749 43.292 -0.607 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 43.911 42.652 0.086 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 44.522 43.238 -1.169 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 51.898 46.036 55.489 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 51.751 46.849 55.006 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 51.485 45.360 54.951 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 56.694 21.600 8.622 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 56.251 20.964 8.060 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 56.587 21.253 9.508 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 39.044 6.372 52.127 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 39.955 6.533 52.372 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 38.818 7.102 51.550 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 87.259 23.823 -12.768 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 87.258 23.847 -11.811 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 87.039 22.918 -12.986 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 39.761 7.489 45.298 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 40.108 8.269 45.731 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 39.529 7.785 44.418 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 66.794 10.758 -17.464 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 67.636 10.579 -17.046 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 66.386 11.421 -16.907 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 23.514 8.047 -11.366 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 23.369 7.137 -11.106 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 24.286 8.318 -10.871 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 27.658 1.934 7.003 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 27.597 1.015 7.262 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 28.029 2.375 7.766 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 58.901 93.638 29.892 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 59.515 93.942 29.224 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 58.043 93.915 29.573 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 61.360 16.154 -18.249 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 61.024 15.483 -18.844 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 61.990 15.692 -17.697 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 32.414 2.452 -8.048 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 32.199 1.925 -7.278 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 31.876 3.239 -7.959 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 71.489 47.686 25.649 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 70.853 48.395 25.748 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 70.966 46.886 25.693 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 77.787 16.938 52.168 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 77.110 16.709 51.532 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 78.051 16.100 52.549 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 37.880 81.794 3.624 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 37.469 81.369 2.871 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 37.753 82.730 3.471 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 72.855 70.971 61.247 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 72.168 71.629 61.354 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 73.648 71.479 61.072 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 54.150 5.180 31.467 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 54.802 5.738 31.043 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 53.399 5.195 30.874 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 26.194 41.440 -2.899 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 25.954 40.575 -2.566 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 25.359 41.850 -3.124 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 57.207 88.558 30.987 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 56.502 88.923 31.522 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 56.757 88.129 30.259 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 20.577 26.192 -19.333 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 21.084 25.851 -20.069 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 19.859 25.568 -19.226 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 66.612 28.557 63.686 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 67.453 28.189 63.417 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 66.762 28.875 64.576 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 44.726 58.702 -13.103 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 43.875 59.027 -13.397 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 44.643 58.638 -12.152 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 75.723 75.157 51.504 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 75.138 74.400 51.494 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 76.578 74.803 51.256 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 67.176 11.086 14.828 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 66.965 11.906 15.274 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 67.923 10.734 15.313 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 52.119 84.702 45.495 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 51.665 84.645 44.655 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 53.048 84.656 45.269 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 21.894 20.045 5.909 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 21.594 19.207 5.558 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 22.799 20.121 5.610 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 67.835 3.063 26.102 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 67.260 2.902 25.354 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 68.566 2.457 25.978 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 25.907 22.993 -11.133 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 25.111 22.750 -10.661 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 25.929 22.402 -11.886 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 53.964 27.795 -7.939 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 54.432 27.172 -7.382 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 54.271 28.654 -7.649 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 77.690 16.257 36.974 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 78.385 16.409 37.614 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 77.846 15.369 36.655 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 58.734 17.300 -0.774 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 58.240 17.530 0.013 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 58.445 17.933 -1.431 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 35.401 84.689 -12.373 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 36.099 85.280 -12.653 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 35.072 84.304 -13.185 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 21.038 68.594 -11.976 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 21.353 67.892 -12.546 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 20.701 68.142 -11.202 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 78.253 96.002 49.847 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 78.730 95.264 49.468 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 77.752 95.620 50.567 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 52.478 15.905 37.281 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 52.886 16.546 37.863 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 51.648 15.688 37.706 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 65.791 31.901 -1.787 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 66.695 32.215 -1.758 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 65.467 32.020 -0.894 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 77.599 19.042 -7.796 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 77.344 18.618 -6.977 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 78.552 19.114 -7.743 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 44.572 94.646 38.047 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 43.726 94.199 38.078 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 44.669 94.914 37.133 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 75.557 31.861 -12.182 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 74.790 31.816 -12.752 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 75.991 32.677 -12.427 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 77.627 94.588 19.819 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 77.671 94.785 18.884 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 76.947 93.919 19.892 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 86.320 11.908 7.936 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 85.787 11.804 8.724 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 87.128 12.318 8.245 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 73.546 8.262 52.984 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 72.805 8.486 52.421 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 73.261 7.480 53.457 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 37.772 62.245 21.753 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 37.371 61.847 20.980 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 38.643 61.850 21.801 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 74.220 8.626 2.425 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 75.100 8.778 2.772 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 74.323 7.886 1.827 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 53.498 30.761 44.178 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 53.120 30.177 43.521 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 53.426 31.634 43.793 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 60.452 76.853 29.125 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 61.406 76.893 29.068 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 60.243 75.924 29.028 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 39.573 65.331 -6.422 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 38.905 65.949 -6.124 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 39.168 64.470 -6.317 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 51.379 16.745 4.954 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 50.610 16.537 5.484 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 51.502 15.976 4.397 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 75.688 78.804 44.733 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 75.362 79.266 43.960 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 75.821 77.904 44.436 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 82.595 90.086 16.281 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 82.542 90.956 16.676 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 83.334 89.667 16.722 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 62.171 21.885 -0.684 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 63.086 21.611 -0.747 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 61.673 21.136 -1.011 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 37.538 22.299 2.529 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 38.133 22.875 3.008 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 38.064 21.524 2.329 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 64.507 44.653 -13.598 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 64.921 45.509 -13.702 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 64.919 44.279 -12.820 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 76.692 63.661 28.642 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 76.245 63.952 27.848 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 76.086 63.874 29.351 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 42.943 27.308 -5.596 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 42.308 27.787 -5.065 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 42.634 27.415 -6.495 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 68.771 35.906 37.672 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 69.026 36.562 38.322 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 67.826 35.806 37.790 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 49.283 36.789 63.415 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 49.280 37.660 63.018 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 49.198 36.952 64.354 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 58.945 49.612 60.093 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 58.277 50.286 59.966 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 59.083 49.587 61.040 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 51.946 38.447 -3.923 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 51.475 39.171 -3.510 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 52.845 38.534 -3.606 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 25.871 10.101 60.912 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 25.430 10.337 60.096 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 25.160 9.968 61.539 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 49.538 28.248 56.562 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 49.261 29.129 56.814 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 49.955 28.363 55.708 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 38.899 5.939 -5.238 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 38.998 5.192 -4.649 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 38.447 6.600 -4.714 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 82.344 53.117 49.197 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 82.874 53.856 49.494 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 82.864 52.714 48.501 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 75.323 25.424 12.389 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 74.628 25.887 12.858 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 76.002 26.085 12.253 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 65.744 13.307 63.618 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 66.660 13.378 63.884 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 65.419 14.207 63.631 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 35.780 88.440 51.078 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 34.918 88.320 51.477 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 36.153 89.194 51.536 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 76.283 49.199 34.533 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 76.695 49.571 35.313 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 75.624 48.594 34.874 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 68.194 3.707 0.882 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 67.654 4.181 0.250 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 69.093 3.854 0.588 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 70.805 89.218 -18.650 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 69.869 89.366 -18.787 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 71.163 90.090 -18.485 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 59.376 18.248 -17.596 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 60.015 17.613 -17.919 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 59.471 18.222 -16.644 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 46.235 21.060 36.606 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 46.625 21.868 36.939 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 46.911 20.681 36.043 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 46.534 43.017 30.655 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 45.924 43.631 30.247 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 47.139 42.778 29.953 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 56.354 90.769 67.219 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 56.288 89.970 67.744 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 56.495 90.457 66.325 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 73.927 0.172 44.148 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 73.839 1.106 43.955 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 73.370 0.031 44.913 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 26.345 54.717 56.613 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 25.906 54.164 57.260 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 25.642 55.239 56.226 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 47.033 30.815 -12.257 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 46.795 29.900 -12.107 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 47.924 30.891 -11.916 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 78.604 73.046 4.772 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 78.833 73.255 5.678 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 78.601 72.090 4.740 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 29.491 23.420 61.177 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 28.893 23.881 60.588 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 30.344 23.823 61.016 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 54.881 27.760 8.432 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 55.821 27.927 8.501 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 54.643 27.377 9.277 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 82.656 46.391 8.077 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 83.351 47.039 7.960 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 83.111 45.549 8.084 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 73.281 46.322 31.442 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 73.145 46.344 30.495 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 72.402 46.227 31.808 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 77.430 36.491 13.749 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 76.994 36.698 12.922 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 77.758 37.333 14.065 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 89.456 31.285 60.004 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 89.196 31.540 60.889 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 89.741 30.375 60.090 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 70.318 71.613 27.453 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 69.619 71.322 28.038 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 69.960 71.494 26.573 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 85.848 45.089 22.419 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 85.011 44.803 22.052 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 85.688 45.152 23.361 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 81.068 40.400 44.185 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 80.717 40.744 43.363 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 81.479 39.570 43.942 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 47.153 2.720 42.943 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 46.374 2.482 43.446 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 47.842 2.817 43.599 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 44.101 68.989 -14.571 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 44.064 69.946 -14.565 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 43.738 68.730 -13.724 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 37.877 36.303 11.069 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 38.486 36.060 11.767 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 38.435 36.662 10.379 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 74.337 11.222 0.955 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 73.764 11.331 0.196 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 74.143 10.343 1.278 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 77.928 94.203 36.306 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 77.530 93.348 36.467 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 77.841 94.334 35.361 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 74.887 2.459 -1.794 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 73.990 2.697 -2.029 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 75.407 2.700 -2.560 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 80.515 32.782 28.122 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 80.176 33.559 28.565 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 80.000 32.720 27.317 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 79.254 33.453 -5.493 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 79.615 33.195 -4.645 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 79.764 34.223 -5.747 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 67.590 95.025 33.183 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 67.517 95.843 32.691 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 66.755 94.580 33.035 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 61.417 58.457 37.121 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 60.499 58.583 37.362 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 61.393 57.808 36.418 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 34.717 90.322 -18.663 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 34.778 90.918 -17.917 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 35.626 90.142 -18.901 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 69.540 79.450 51.017 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 69.386 80.146 51.656 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 68.785 79.492 50.430 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 85.671 72.013 26.338 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 85.856 71.086 26.486 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 85.946 72.172 25.435 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 39.652 49.950 -5.924 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 39.040 50.683 -5.865 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 39.110 49.173 -5.786 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 40.274 80.983 -4.759 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 40.656 81.416 -3.995 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 39.551 81.554 -5.021 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 56.893 17.309 1.394 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 56.171 17.900 1.606 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 56.976 16.745 2.163 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 23.879 23.120 14.208 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 23.845 23.101 13.252 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 23.017 23.442 14.472 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 41.533 86.162 40.915 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 42.233 85.567 41.183 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 41.370 85.943 39.998 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 45.028 12.949 60.718 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 44.564 13.521 61.329 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 44.439 12.872 59.967 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 26.263 29.352 -18.846 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 26.771 28.584 -19.107 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 26.920 30.029 -18.680 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 67.356 39.624 6.798 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 66.540 40.020 6.491 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 67.888 40.364 7.089 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 70.357 46.958 16.311 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 69.990 46.517 17.078 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 69.617 47.054 15.712 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 42.483 15.794 57.426 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 42.758 14.983 57.853 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 43.224 16.036 56.870 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 58.138 87.725 50.840 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 58.161 87.466 49.918 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 58.408 86.940 51.316 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 86.353 23.604 63.941 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 85.627 24.201 64.121 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 86.084 22.774 64.336 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 71.899 2.639 61.338 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 72.811 2.417 61.154 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 71.860 2.720 62.291 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 64.373 35.967 49.316 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 63.878 35.758 50.109 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 64.148 35.269 48.702 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 76.486 44.356 -5.079 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 76.008 43.732 -5.626 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 75.912 44.505 -4.328 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 83.678 46.823 61.468 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 83.076 46.198 61.871 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 83.282 47.679 61.633 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 25.895 24.174 35.593 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 26.225 24.745 36.287 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 26.676 23.747 35.242 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 55.103 84.356 57.619 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 55.691 84.042 56.932 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 55.335 85.278 57.731 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 58.474 27.067 -12.340 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 58.662 27.180 -13.272 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 57.709 26.492 -12.317 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 90.001 4.505 -15.880 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 89.531 4.076 -15.165 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 89.508 4.272 -16.666 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 86.336 48.096 24.987 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 85.964 48.978 25.002 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 86.648 47.951 25.880 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 32.832 77.783 19.201 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 32.127 77.197 18.926 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 32.758 77.816 20.155 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 77.333 25.920 8.700 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 76.610 25.409 9.064 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 78.117 25.544 9.101 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 33.419 40.155 0.995 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 32.836 39.722 1.619 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 34.091 40.566 1.540 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 79.174 85.251 0.648 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 79.026 85.582 1.534 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 78.871 84.343 0.678 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 75.188 54.985 -13.807 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 75.275 54.445 -13.022 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 75.858 55.662 -13.708 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 41.039 35.324 -11.907 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 41.424 34.451 -11.826 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 40.403 35.373 -11.193 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 43.948 5.774 17.264 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 43.692 4.855 17.347 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 43.911 6.114 18.158 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 67.187 21.804 26.775 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 66.559 22.080 26.108 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 68.029 22.135 26.464 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 38.046 91.701 4.120 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 37.909 91.956 3.208 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 37.940 92.513 4.615 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 38.207 86.838 30.665 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 38.739 86.101 30.365 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 38.099 86.691 31.604 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 69.344 42.054 4.707 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 69.305 42.854 5.231 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 69.996 41.510 5.147 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 53.767 50.157 -14.864 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 54.647 50.096 -14.492 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 53.613 51.096 -14.965 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 51.838 34.264 -19.444 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 51.455 33.481 -19.840 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 52.047 34.830 -20.187 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 41.255 25.460 35.836 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 41.229 26.303 35.384 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 41.911 25.575 36.523 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 43.232 39.134 -6.116 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 42.990 38.245 -5.859 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 44.107 39.261 -5.748 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 23.488 90.712 -13.442 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 23.583 89.875 -13.898 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 22.826 90.546 -12.772 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 61.915 12.996 51.743 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 61.671 12.768 50.846 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 62.319 13.860 51.670 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 64.305 20.305 51.526 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 63.573 19.689 51.485 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 64.169 20.784 52.343 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 54.835 32.089 4.588 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 55.584 31.498 4.675 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 54.345 31.976 5.402 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 38.095 86.367 57.602 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 37.575 85.563 57.604 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 37.607 86.966 57.036 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 26.528 60.515 56.635 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 25.885 61.204 56.469 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 26.929 60.756 57.470 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 70.793 37.888 -15.554 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 70.150 37.277 -15.193 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 71.479 37.328 -15.917 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 61.347 19.884 53.912 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 60.729 20.593 53.732 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 61.492 19.470 53.062 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 79.517 54.595 35.761 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 78.806 55.115 36.137 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 80.072 55.235 35.315 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 72.688 67.595 26.527 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 71.780 67.526 26.230 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 72.688 68.341 27.127 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 43.636 60.716 64.834 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 44.420 60.190 64.989 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 43.343 60.976 65.707 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 23.783 9.917 -8.657 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 22.885 9.598 -8.740 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 23.735 10.839 -8.911 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 82.874 38.957 9.581 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 81.970 39.114 9.306 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 82.881 39.168 10.514 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 36.065 31.110 26.540 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 35.206 31.376 26.870 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 36.308 30.360 27.083 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 86.650 49.137 39.191 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 87.403 48.783 39.664 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 86.935 49.170 38.277 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 33.511 19.556 41.987 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 34.393 19.704 41.647 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 33.194 18.791 41.506 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 65.025 65.620 -3.301 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 65.938 65.555 -3.578 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 64.996 65.162 -2.461 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 59.339 47.857 -16.336 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 58.932 48.709 -16.181 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 59.358 47.439 -15.475 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 37.858 32.777 -15.773 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 37.100 32.289 -15.451 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 37.984 33.476 -15.131 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 31.757 50.428 -6.469 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 31.050 49.995 -6.947 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 31.706 50.066 -5.585 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 55.641 59.911 49.714 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 55.692 59.207 50.359 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 56.553 60.132 49.526 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 69.516 66.004 22.794 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 69.642 65.302 22.155 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 69.036 66.680 22.315 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 67.585 8.200 33.739 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 67.699 9.127 33.949 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 68.459 7.902 33.486 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 65.520 20.009 31.006 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 65.455 20.709 30.357 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 66.393 19.640 30.875 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 33.046 39.860 -6.169 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 33.551 39.244 -5.639 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 32.163 39.826 -5.800 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 77.259 55.982 36.352 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 76.920 56.809 36.696 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 76.476 55.471 36.143 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 36.221 15.813 -8.370 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 35.713 16.257 -9.050 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 35.647 15.112 -8.061 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 85.240 89.884 53.873 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 86.074 89.588 54.240 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 84.838 89.090 53.520 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 61.603 32.176 0.738 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 61.248 32.918 1.228 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 60.953 32.004 0.057 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 71.458 36.798 22.393 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 71.382 36.564 21.469 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 71.005 37.638 22.467 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 41.649 45.727 30.922 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 41.599 45.777 29.967 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 41.692 46.639 31.208 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 47.136 44.461 27.768 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 47.642 43.654 27.857 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 46.863 44.475 26.851 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 54.899 54.935 -6.697 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 54.921 54.015 -6.434 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 53.967 55.141 -6.771 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 69.332 45.988 49.571 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 70.045 46.141 48.952 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 68.681 46.657 49.357 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 46.396 75.192 64.492 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 45.719 75.282 65.162 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 46.080 74.490 63.924 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 49.397 24.572 0.966 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 50.197 25.055 1.174 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 48.701 25.226 1.016 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 45.817 56.075 4.379 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 46.299 55.414 4.878 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 45.336 56.571 5.040 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 25.339 22.731 47.172 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 26.111 22.744 47.737 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 24.670 23.203 47.668 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 51.494 48.161 43.787 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 52.121 48.436 43.118 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 52.002 48.144 44.598 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 45.012 57.232 -5.740 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 44.767 56.747 -4.952 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 45.857 56.863 -5.996 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 29.935 87.610 31.391 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 29.109 88.054 31.584 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 30.604 88.283 31.517 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 42.882 0.742 65.154 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 42.564 0.005 65.676 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 43.120 0.354 64.312 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 28.353 25.514 33.569 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 27.461 25.832 33.429 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 28.871 25.944 32.888 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 81.415 41.400 34.957 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 80.814 41.047 34.302 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 81.679 42.251 34.607 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 71.989 77.760 48.322 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 71.163 78.157 48.047 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 72.505 78.491 48.663 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 72.583 63.025 51.553 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 72.857 63.842 51.135 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 71.828 62.735 51.041 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 31.230 15.897 6.148 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 31.577 16.475 5.469 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 31.906 15.891 6.826 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 70.442 60.051 25.319 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 69.729 60.112 25.955 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 70.044 60.312 24.488 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 40.552 51.110 -18.563 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 40.407 50.812 -19.461 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 40.154 51.980 -18.533 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 77.933 1.972 49.940 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 78.226 1.062 49.900 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 77.064 1.962 49.539 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 68.330 15.367 -0.054 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 68.800 15.382 0.780 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 67.537 15.878 0.107 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 67.852 45.895 -6.887 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 66.948 45.875 -7.202 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 67.785 46.206 -5.985 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 40.020 27.411 11.395 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 40.556 27.770 12.103 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 40.525 26.668 11.065 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 84.750 70.187 2.247 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 85.613 70.542 2.033 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 84.133 70.821 1.881 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 32.925 26.845 -10.791 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 33.562 26.474 -10.180 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 33.262 27.719 -10.989 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 84.868 12.008 53.419 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 84.571 11.107 53.546 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 85.410 12.192 54.186 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 54.874 57.193 52.225 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 54.504 56.560 51.611 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 55.793 57.268 51.968 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 20.769 54.104 30.982 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 19.929 53.675 30.820 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 21.264 53.976 30.172 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 28.756 33.928 -19.285 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 29.233 33.378 -19.907 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 28.791 34.806 -19.665 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 26.592 25.517 38.267 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 26.492 24.707 38.767 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 25.703 25.863 38.191 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 63.386 87.946 23.439 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 62.979 88.591 24.017 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 62.922 87.130 23.623 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 22.224 40.510 -2.530 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 23.109 40.185 -2.697 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 22.283 40.939 -1.676 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 29.060 18.462 44.070 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 29.753 18.065 44.597 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 29.356 18.358 43.165 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 88.612 44.219 56.473 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 87.722 43.877 56.559 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 88.864 44.460 57.365 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 84.313 28.052 -19.312 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 83.453 28.288 -19.661 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 84.480 28.699 -18.627 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 47.789 60.387 12.754 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 47.953 60.258 13.689 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 48.657 60.521 12.375 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 46.942 33.144 3.607 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 47.433 32.482 4.094 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 46.368 33.546 4.259 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 53.207 83.711 35.447 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 53.905 84.112 34.930 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 52.657 83.264 34.804 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 87.723 10.994 60.940 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 87.615 10.586 60.081 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 87.119 11.737 60.930 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 58.530 41.783 62.900 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 58.983 41.419 62.140 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 57.755 41.232 63.004 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 43.304 35.594 6.488 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 42.373 35.612 6.263 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 43.371 34.933 7.177 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 63.246 92.081 24.298 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 63.771 91.807 23.546 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 63.883 92.430 24.921 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 56.302 65.166 25.529 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 56.433 65.322 24.594 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 55.915 64.292 25.575 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 67.855 60.935 -19.580 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 67.048 60.423 -19.641 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 68.506 60.414 -20.050 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 75.002 44.053 22.261 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 75.054 43.850 23.194 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 75.207 43.227 21.823 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 62.835 57.623 21.789 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 62.372 57.324 21.007 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 62.314 58.359 22.109 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 63.210 85.488 7.558 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 63.229 85.015 8.390 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 62.549 85.032 7.037 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 65.725 76.546 17.176 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 65.594 75.728 16.696 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 65.604 77.232 16.519 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 70.439 41.492 32.668 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 69.534 41.329 32.401 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 70.956 41.320 31.880 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 69.680 60.228 28.653 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 68.827 59.941 28.979 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 69.474 60.832 27.940 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 50.133 57.160 54.520 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 50.633 56.920 53.739 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 50.684 57.800 54.970 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 68.706 93.157 14.711 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 68.813 92.565 15.456 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 69.153 92.716 13.988 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 68.639 19.029 -12.358 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 67.772 19.393 -12.536 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 69.227 19.783 -12.388 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 88.257 54.628 -7.549 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 87.335 54.432 -7.716 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 88.239 55.359 -6.931 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 32.615 61.647 48.091 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 33.447 62.106 48.209 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 31.987 62.339 47.882 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 86.925 67.608 23.860 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 86.067 67.755 24.257 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 86.760 66.975 23.160 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 60.704 65.691 51.218 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 60.837 65.762 50.273 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 59.792 65.949 51.352 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 47.693 13.627 35.571 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 48.005 13.542 34.669 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 48.491 13.639 36.100 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 38.210 39.485 8.373 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 39.149 39.355 8.241 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 38.049 40.384 8.086 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 82.730 33.444 13.318 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 83.104 32.913 14.021 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 83.024 33.018 12.513 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 69.139 56.292 50.706 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 69.159 55.437 50.276 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 70.022 56.641 50.587 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 79.800 45.169 -0.494 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 79.185 45.902 -0.485 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 79.487 44.584 0.196 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 43.201 56.902 61.544 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 43.569 57.750 61.791 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 43.943 56.299 61.579 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 50.582 32.185 54.638 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 50.966 31.401 54.247 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 50.017 31.853 55.336 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 29.759 90.609 22.735 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 29.035 90.669 23.358 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 29.872 89.670 22.590 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 41.567 51.761 -10.191 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 40.909 51.822 -9.498 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 41.809 52.669 -10.373 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 36.219 77.851 -2.423 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 37.107 77.996 -2.751 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 36.266 77.009 -1.970 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 45.793 59.066 14.655 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 46.093 59.836 14.171 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 46.475 58.913 15.308 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 24.773 45.704 22.673 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 24.992 45.944 21.773 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 24.804 44.747 22.679 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 76.512 13.969 -13.911 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 76.998 13.154 -13.792 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 75.610 13.747 -13.678 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 46.438 71.471 52.231 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 46.571 71.369 51.289 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 46.096 72.359 52.331 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 26.963 40.376 17.449 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 27.007 41.314 17.634 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 27.456 40.269 16.635 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 56.473 47.721 24.266 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 55.605 47.503 24.606 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 56.657 47.036 23.623 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 81.896 38.879 49.272 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 81.946 39.391 50.079 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 82.540 39.284 48.690 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 66.903 64.387 9.782 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 66.599 64.113 10.648 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 66.164 64.210 9.201 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 79.482 75.038 24.801 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 79.450 74.391 24.096 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 79.396 74.523 25.604 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 35.801 41.373 42.317 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 35.807 42.267 42.659 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 35.484 40.840 43.046 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 65.414 87.065 17.317 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 65.453 86.389 16.641 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 64.676 86.808 17.871 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 56.115 41.607 -16.659 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 57.019 41.917 -16.601 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 55.602 42.281 -16.212 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 64.270 27.810 28.093 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 63.511 28.151 28.568 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 63.967 27.722 27.190 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 80.746 43.345 3.406 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 80.177 43.987 3.830 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 81.584 43.797 3.303 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 40.019 56.394 29.573 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 40.822 56.647 29.117 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 40.015 56.929 30.367 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 53.060 5.005 57.985 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 52.270 4.464 57.997 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 52.968 5.548 57.203 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 56.758 17.768 49.637 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 57.373 18.488 49.777 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 57.183 17.008 50.037 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 33.595 64.760 -16.040 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 33.651 63.895 -15.633 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 33.894 65.365 -15.361 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 29.275 56.068 30.034 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 29.790 55.274 29.894 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 28.552 55.998 29.410 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 26.774 84.578 14.913 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 27.376 85.253 14.600 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 27.343 83.860 15.192 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 22.139 58.577 50.951 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 22.059 58.016 51.723 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 21.496 59.272 51.092 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 71.181 85.012 18.995 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 71.551 84.156 19.210 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 70.882 85.362 19.834 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 52.209 52.365 16.662 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 52.884 51.756 16.961 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 51.852 51.958 15.873 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 53.044 70.443 11.112 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 53.319 71.008 11.834 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 53.770 69.828 10.999 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 76.684 66.564 37.111 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 77.633 66.632 37.000 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 76.321 67.003 36.341 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 56.761 39.885 67.145 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 57.176 40.740 67.032 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 56.506 39.623 66.261 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 83.949 24.876 64.398 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 83.315 24.857 65.115 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 83.731 25.668 63.907 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 86.980 47.178 6.858 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 86.529 46.857 7.639 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 87.621 47.805 7.192 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 86.665 78.244 -2.095 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 86.154 77.603 -1.601 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 86.465 78.055 -3.012 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 40.304 78.196 52.619 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 39.619 78.290 51.958 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 40.138 78.905 53.241 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 30.585 44.635 1.041 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 29.702 44.321 1.235 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 31.097 43.839 0.899 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 88.731 73.355 29.101 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 88.312 72.519 28.893 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 89.605 73.115 29.408 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 23.269 57.071 8.203 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 24.180 57.117 7.913 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 23.271 57.480 9.069 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 59.449 94.896 58.280 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 59.081 95.520 58.904 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 59.347 95.320 57.428 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 29.662 54.705 62.078 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 29.989 54.485 62.950 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 29.932 55.613 61.942 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 29.640 38.402 26.744 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 30.596 38.385 26.778 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 29.418 39.331 26.675 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 67.938 42.321 -14.199 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 67.020 42.215 -13.952 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 68.115 43.253 -14.069 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 23.803 46.120 7.308 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 24.555 46.712 7.288 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 23.045 46.691 7.186 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 49.093 79.247 16.330 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 49.144 78.436 16.836 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 48.614 79.852 16.897 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 75.169 63.643 -7.621 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 74.966 64.570 -7.739 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 74.413 63.289 -7.153 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 45.069 51.222 -11.621 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 44.657 51.833 -12.232 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 45.143 51.714 -10.803 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 69.610 66.936 53.640 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 68.837 67.479 53.485 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 70.290 67.325 53.090 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 88.154 58.509 58.913 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 88.467 59.400 58.759 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 88.886 58.070 59.348 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 61.647 91.729 39.498 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 62.382 92.307 39.295 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 60.980 91.951 38.848 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 42.617 89.577 36.196 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 42.711 88.690 36.543 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 43.439 90.011 36.422 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 70.219 0.408 22.237 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 69.593 0.166 21.555 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 70.001 1.315 22.452 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 55.345 23.789 55.057 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 54.998 23.484 54.218 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 56.289 23.857 54.916 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 69.066 6.757 -8.418 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 68.528 6.586 -9.191 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 69.492 7.595 -8.603 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 43.647 65.131 59.487 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 44.330 64.945 60.132 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 44.035 64.882 58.648 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 43.231 55.991 -7.734 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 42.829 55.251 -7.280 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 43.650 56.500 -7.039 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 50.795 22.854 -17.317 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 51.621 23.164 -16.945 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 51.028 22.545 -18.193 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 89.352 78.898 -2.353 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 88.505 78.465 -2.255 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 89.135 79.821 -2.487 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 57.766 68.484 -1.854 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 56.941 68.809 -1.493 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 57.735 67.538 -1.708 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 49.400 1.594 13.847 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 49.257 2.113 13.055 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 50.189 1.085 13.661 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 75.442 54.328 43.764 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 74.558 54.016 43.571 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 75.608 55.002 43.106 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 53.763 65.735 23.156 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 54.574 66.149 22.861 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 54.028 65.192 23.899 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 72.129 41.139 34.824 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 71.890 41.137 33.898 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 71.322 41.380 35.280 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 58.441 57.601 26.891 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 57.492 57.558 26.778 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 58.645 56.877 27.483 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 37.694 48.986 22.523 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 37.246 48.576 23.263 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 38.613 49.022 22.788 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 63.597 66.565 38.901 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 63.881 67.371 38.471 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 62.659 66.688 39.045 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 71.172 3.084 30.430 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 70.315 3.295 30.060 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 71.302 3.735 31.120 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 43.102 61.655 -19.772 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 42.885 60.846 -19.309 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 42.432 62.279 -19.492 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 38.316 26.152 60.380 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 38.638 25.883 59.520 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 37.946 25.354 60.758 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 48.622 18.893 22.941 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 49.182 19.637 22.720 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 47.730 19.231 22.859 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 74.498 70.312 -5.355 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 73.553 70.160 -5.334 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 74.739 70.452 -4.440 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 78.082 86.084 57.817 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 78.225 85.552 58.600 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 77.350 85.661 57.369 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 60.714 13.951 57.272 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 60.945 13.127 56.843 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 60.900 13.800 58.199 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 90.835 95.115 -1.826 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 90.456 94.609 -1.107 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 90.568 96.017 -1.652 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 90.483 28.263 13.888 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 90.099 27.386 13.881 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 90.931 28.336 13.046 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 81.171 37.969 15.189 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 80.366 38.363 14.854 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 81.563 38.650 15.735 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 48.152 51.461 18.768 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 49.057 51.278 19.019 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 48.225 52.104 18.062 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 44.672 55.647 65.898 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 44.311 55.768 66.776 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 44.130 56.202 65.337 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 70.312 36.564 25.878 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 70.536 36.735 26.793 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 70.171 37.432 25.500 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 72.453 67.467 21.696 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 72.829 67.466 22.576 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 72.614 66.583 21.365 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 20.874 26.166 62.058 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 20.046 25.762 61.797 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 20.619 26.990 62.471 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 52.185 61.351 13.977 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 51.712 61.017 14.739 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 52.620 60.582 13.609 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 39.426 4.401 25.797 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 40.106 5.025 25.544 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 39.030 4.782 26.580 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 80.512 68.813 -7.742 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 81.248 68.356 -8.148 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 79.988 69.127 -8.479 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 88.765 78.596 60.788 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 88.914 77.750 60.364 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 87.967 78.471 61.300 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 31.928 29.335 39.592 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 31.137 28.889 39.289 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 31.863 30.216 39.224 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 80.173 29.543 -5.331 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 80.324 29.515 -6.276 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 80.569 30.368 -5.049 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 44.548 15.788 -14.957 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 44.954 16.462 -15.501 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 45.033 14.989 -15.164 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 53.348 33.226 55.322 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 53.462 34.165 55.176 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 52.644 32.974 54.725 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 54.633 24.001 43.993 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 54.494 24.461 43.166 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 53.855 24.201 44.514 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 49.880 73.980 -19.631 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 49.558 73.160 -20.005 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 50.825 73.959 -19.782 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 73.779 2.069 6.962 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 73.741 3.024 7.025 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 73.030 1.835 6.414 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 90.654 3.327 3.668 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 89.778 3.661 3.475 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 91.019 3.956 4.291 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 86.525 56.590 0.641 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 85.980 56.934 -0.066 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 86.011 56.739 1.435 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 85.917 89.554 47.642 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 85.811 89.305 48.560 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 85.140 89.203 47.206 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 25.873 66.964 23.525 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 25.272 66.702 24.222 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 26.729 67.012 23.952 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 30.926 50.535 8.411 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 30.570 50.024 9.138 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 31.606 51.078 8.810 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 51.433 41.521 59.988 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 52.069 40.919 59.601 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 51.087 42.015 59.245 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 62.358 43.332 -17.473 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 62.036 43.811 -16.709 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 62.658 44.013 -18.075 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 33.128 95.233 30.345 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 34.065 95.429 30.359 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 32.703 96.091 30.328 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 84.041 65.261 7.208 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 83.501 64.507 6.973 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 84.901 64.889 7.406 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 32.685 88.526 51.571 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 31.966 88.394 50.953 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 32.278 88.448 52.433 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 37.638 73.744 60.455 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 38.088 72.906 60.345 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 36.800 73.627 60.008 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 56.399 37.745 -4.716 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 57.002 37.071 -4.402 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 56.967 38.450 -5.025 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 69.954 20.327 64.272 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 70.742 20.698 63.874 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 69.489 19.914 63.545 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 38.605 14.851 3.545 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 39.224 15.581 3.538 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 37.750 15.260 3.408 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 71.187 41.252 13.285 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 70.438 41.735 13.633 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 70.865 40.357 13.174 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 27.912 84.963 -4.073 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 27.138 85.125 -3.535 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 27.922 84.015 -4.202 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 28.944 0.781 29.073 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 29.339 1.068 29.896 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 29.672 0.758 28.452 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 89.122 19.158 -11.642 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 89.588 19.887 -11.231 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 88.383 18.987 -11.058 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 32.816 63.556 17.784 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 33.694 63.637 17.412 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 32.695 62.616 17.914 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 29.071 87.736 64.806 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 28.817 87.921 65.710 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 30.027 87.708 64.825 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 43.036 92.484 31.754 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 42.344 93.145 31.758 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 42.912 92.010 30.932 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 76.924 65.795 1.282 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 76.534 66.337 0.596 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 77.847 65.726 1.037 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 73.125 92.280 3.479 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 73.569 92.077 4.302 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 72.302 92.690 3.745 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 71.098 76.698 13.754 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 70.452 75.991 13.734 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 70.740 77.366 13.170 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 56.250 72.387 7.985 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 57.014 71.841 7.800 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 55.538 71.763 8.126 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 63.323 51.854 27.445 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 62.581 51.604 27.995 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 62.932 52.348 26.724 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 70.264 59.848 66.505 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 71.003 59.242 66.542 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 70.658 60.715 66.603 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 85.103 59.095 27.512 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 85.240 58.479 26.792 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 84.344 58.751 27.982 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 31.752 92.286 52.552 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 32.093 92.672 51.745 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 32.506 91.844 52.943 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 48.933 37.878 57.578 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 49.290 38.738 57.356 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 48.058 37.875 57.191 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 83.463 95.277 34.458 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 83.289 94.452 34.913 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 83.048 95.171 33.602 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 70.622 82.871 61.524 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 71.559 83.030 61.638 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 70.207 83.700 61.760 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 58.936 39.499 55.054 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 58.677 39.817 55.919 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 58.203 38.952 54.771 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 54.156 62.241 20.533 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 53.877 62.635 19.706 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 53.855 61.334 20.480 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 59.586 80.205 28.939 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 59.699 81.020 29.429 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 59.680 80.461 28.022 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 59.557 13.593 53.809 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 60.461 13.615 53.494 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 59.491 12.771 54.294 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 73.075 36.780 -5.815 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 72.706 37.625 -6.074 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 72.316 36.204 -5.725 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 57.371 20.679 65.299 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 57.647 21.331 64.655 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 57.816 20.935 66.106 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 47.297 3.836 7.888 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 47.073 3.225 8.590 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 47.701 3.289 7.214 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 32.753 88.521 18.217 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 31.824 88.391 18.030 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 32.771 88.891 19.099 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 40.660 6.625 24.558 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 40.884 6.599 23.628 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 39.952 7.266 24.617 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 25.494 22.524 3.140 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 24.916 22.872 2.461 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 25.626 23.256 3.741 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 48.741 89.838 42.026 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 47.928 89.896 41.524 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 49.413 90.174 41.433 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 37.076 52.512 54.550 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 36.875 51.856 53.882 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 36.893 53.350 54.126 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 27.250 3.300 -6.179 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 27.254 2.344 -6.131 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 26.399 3.554 -5.821 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 25.234 19.974 46.181 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 24.324 20.015 45.887 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 25.386 20.817 46.607 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 84.837 23.301 61.714 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 85.605 23.384 62.278 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 84.356 24.118 61.840 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 83.939 38.791 -10.633 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 84.645 39.200 -10.133 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 84.387 38.225 -11.261 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 54.936 93.982 37.982 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 54.975 93.050 37.765 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 55.784 94.328 37.705 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 72.046 68.669 32.669 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 71.612 67.980 32.165 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 71.669 69.484 32.336 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 39.017 8.214 33.301 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 39.476 8.975 32.945 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 38.112 8.322 33.009 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 85.734 88.111 34.479 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 84.943 87.573 34.445 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 86.118 87.920 35.335 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 75.275 66.676 26.589 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 75.034 65.750 26.623 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 74.443 67.143 26.663 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 77.067 20.466 -14.557 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 77.111 20.516 -15.512 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 77.980 20.493 -14.272 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 83.798 74.643 23.751 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 83.122 74.417 24.390 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 84.353 73.864 23.704 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 57.789 78.837 -10.847 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 57.062 79.012 -11.445 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 58.291 79.652 -10.834 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 26.677 13.858 -18.229 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 27.489 14.150 -18.643 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 26.002 14.009 -18.892 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 89.115 0.526 50.312 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 88.241 0.912 50.255 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 89.052 -0.107 51.027 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 48.182 7.688 10.461 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 47.563 7.628 11.189 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 47.678 8.087 9.751 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 35.625 52.827 -18.053 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 36.118 53.382 -18.657 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 36.050 52.957 -17.206 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 55.312 4.860 -16.099 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 55.117 5.720 -15.727 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 56.187 4.953 -16.475 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 62.089 82.454 -8.072 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 62.561 81.829 -7.522 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 62.755 83.085 -8.344 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 29.810 39.418 44.400 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 29.980 39.274 43.469 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 29.409 40.286 44.438 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 85.021 18.913 60.743 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 85.229 18.114 61.226 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 85.669 19.551 61.043 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 26.637 11.291 -15.174 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 27.131 11.115 -15.974 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 25.736 11.051 -15.390 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 26.434 21.048 50.576 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 26.624 21.393 51.449 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 26.099 20.166 50.734 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 20.571 34.344 6.437 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 20.128 33.727 7.021 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 21.500 34.243 6.642 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 28.869 25.560 -6.009 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 28.632 26.144 -5.289 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 29.291 26.131 -6.652 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 54.055 7.222 7.664 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 54.890 7.261 7.197 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 53.734 8.123 7.658 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 67.079 8.967 -0.093 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 66.441 8.536 0.476 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 67.034 9.891 0.152 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 82.535 15.065 0.250 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 81.842 15.599 0.638 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 82.718 14.394 0.908 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 74.942 90.011 58.865 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 74.598 89.120 58.810 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 74.187 90.571 58.688 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 82.744 92.700 1.214 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 81.823 92.583 1.447 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 82.921 92.009 0.576 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 34.414 67.915 -10.282 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 34.101 67.132 -9.830 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 35.354 67.937 -10.101 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 23.788 52.386 -10.416 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 24.581 52.749 -10.023 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 23.207 53.140 -10.524 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 22.309 41.146 -7.530 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 22.426 40.286 -7.127 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 22.073 41.721 -6.802 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 88.014 30.956 -7.490 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 88.673 31.072 -6.805 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 88.220 30.106 -7.879 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 24.870 23.990 57.659 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 24.150 23.727 58.233 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 25.545 23.327 57.803 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 53.804 8.267 54.653 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 53.123 7.792 55.130 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 54.554 7.673 54.651 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 31.783 48.988 -4.183 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 32.257 48.959 -3.352 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 30.859 48.977 -3.933 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 65.622 44.414 61.837 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 66.042 44.382 60.978 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 64.723 44.126 61.675 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 36.851 48.451 19.992 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 36.931 48.647 20.925 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 37.748 48.494 19.660 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 66.730 20.660 15.537 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 66.085 20.704 14.832 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 66.267 20.233 16.259 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 24.787 69.922 -12.858 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 23.977 70.003 -12.354 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 25.434 69.614 -12.224 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 67.950 85.139 24.305 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 67.280 84.458 24.245 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 67.498 85.943 24.046 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 67.232 55.490 22.997 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 67.132 54.698 22.468 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 66.338 55.801 23.135 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 53.089 76.177 4.610 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 54.003 76.431 4.734 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 52.874 75.666 5.391 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 83.272 17.914 -1.120 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 83.201 18.579 -0.435 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 82.370 17.632 -1.275 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 82.889 30.205 34.603 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 83.585 30.530 34.033 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 82.127 30.123 34.028 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 24.030 5.623 47.804 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 24.850 6.055 47.564 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 24.271 4.706 47.935 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 31.672 24.397 24.936 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 30.938 23.783 24.913 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 31.697 24.708 25.841 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 30.151 71.387 31.228 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 30.713 70.651 30.985 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 30.728 71.981 31.709 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 85.222 11.023 43.796 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 86.100 11.089 43.421 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 85.254 10.241 44.348 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 37.724 86.744 53.899 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 37.701 87.536 53.361 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 38.650 86.624 54.109 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 53.827 5.845 46.829 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 53.832 6.498 47.529 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 53.203 5.182 47.124 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 28.400 26.948 27.141 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 27.848 26.368 26.617 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 28.749 27.580 26.512 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 64.042 3.094 39.868 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 64.888 2.649 39.827 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 64.020 3.640 39.082 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 60.308 4.160 61.274 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 59.514 3.781 60.897 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 61.023 3.663 60.877 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 73.694 85.703 39.475 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 73.587 86.545 39.032 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 73.213 85.082 38.929 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 38.924 65.279 -16.694 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 39.173 66.164 -16.961 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 39.752 64.803 -16.641 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 47.080 95.562 64.654 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 46.857 95.589 65.585 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 46.349 95.099 64.245 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 53.565 37.150 -0.468 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 53.489 37.950 0.053 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 53.415 36.442 0.158 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 32.527 92.538 11.876 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 33.321 92.206 12.297 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 32.599 93.490 11.944 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 56.934 8.188 56.562 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 56.162 8.214 55.997 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 57.325 7.330 56.394 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 89.821 54.827 -10.090 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 89.319 54.282 -10.696 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 89.353 54.754 -9.258 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 33.585 0.614 -19.074 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 34.416 0.878 -18.681 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 33.435 -0.273 -18.746 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 67.629 73.125 5.037 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 67.419 73.965 4.628 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 66.997 73.043 5.752 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 76.741 48.129 24.801 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 76.759 48.303 25.742 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 75.810 48.082 24.584 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 52.860 0.911 19.020 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 53.627 0.952 19.592 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 52.332 0.197 19.377 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 66.481 37.062 39.494 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 66.465 37.611 38.710 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 65.726 37.352 40.006 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 33.495 18.905 -19.949 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 32.590 19.216 -19.972 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 33.420 17.956 -19.846 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 35.116 64.483 24.232 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 35.313 63.649 23.805 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 35.973 64.842 24.461 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 77.284 52.202 -3.633 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 76.984 51.718 -2.863 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 76.897 53.072 -3.535 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 24.121 16.849 11.972 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 24.111 16.628 11.041 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 23.446 17.521 12.067 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 86.227 58.422 35.317 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 85.428 58.076 35.714 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 86.254 59.339 35.592 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 52.037 42.549 -5.889 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 51.180 42.975 -5.887 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 51.982 41.894 -5.194 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 27.053 6.728 -17.573 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 26.702 5.874 -17.322 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 26.946 7.270 -16.791 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 35.971 85.695 51.049 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 35.356 85.793 50.322 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 36.097 86.585 51.378 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 81.061 90.299 4.601 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 81.497 90.067 3.780 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 81.770 90.595 5.172 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 76.441 69.384 66.978 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 75.595 69.158 67.366 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 76.601 68.694 66.334 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 71.738 35.637 13.604 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 71.571 34.731 13.342 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 71.129 35.794 14.326 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 88.157 57.860 -13.605 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 89.044 57.630 -13.328 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 88.159 57.726 -14.552 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 80.172 60.586 59.955 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 79.447 60.999 60.423 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 80.176 61.011 59.097 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 58.709 14.176 4.916 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 58.448 13.802 5.757 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 59.570 14.560 5.081 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 63.861 11.387 66.294 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 63.664 11.916 67.067 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 64.713 10.993 66.484 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 57.824 24.976 -18.994 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 58.000 25.898 -19.181 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 57.430 24.979 -18.121 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 65.148 80.857 19.488 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 64.676 80.420 20.197 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 65.916 80.306 19.336 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 83.031 24.408 -15.956 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 82.308 24.216 -15.359 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 83.316 23.550 -16.271 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 89.626 83.006 5.026 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 89.792 82.686 4.139 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 88.739 82.707 5.226 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 61.587 6.142 28.327 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 61.675 6.960 28.816 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 61.308 6.414 27.453 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 71.561 30.104 65.509 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 71.061 30.722 66.041 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 71.104 30.087 64.668 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 62.577 1.722 0.502 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 63.249 1.118 0.185 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 62.233 1.305 1.292 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 73.555 89.860 33.027 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 72.841 89.224 32.984 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 73.152 90.690 32.772 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 29.218 94.841 -14.793 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 28.493 94.584 -14.223 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 29.945 94.278 -14.527 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 29.517 1.381 -4.766 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 29.344 0.538 -4.347 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 30.355 1.663 -4.400 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 77.952 32.000 38.926 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 78.744 31.793 39.422 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 77.382 32.440 39.557 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 85.831 11.340 39.056 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 85.786 11.862 38.255 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 86.185 11.939 39.714 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 52.953 90.875 16.827 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 53.896 91.019 16.906 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 52.800 90.039 17.267 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 73.957 18.543 -3.230 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 73.868 17.943 -3.971 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 74.217 17.984 -2.498 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 22.229 31.355 44.854 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 21.643 32.110 44.906 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 22.786 31.535 44.098 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 76.290 48.527 27.610 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 75.440 48.945 27.479 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 76.428 48.555 28.557 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 65.495 77.099 54.818 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 65.543 76.157 54.657 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 64.606 77.342 54.558 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 89.275 28.495 60.742 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 88.443 28.140 60.429 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 89.940 28.040 60.226 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 79.512 35.860 22.017 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 79.893 36.208 21.211 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 79.495 36.607 22.616 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 76.847 65.317 -11.749 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 75.903 65.366 -11.895 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 76.952 64.644 -11.077 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 78.066 11.582 66.989 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 77.173 11.826 66.742 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 78.272 10.831 66.432 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 30.515 37.981 -7.670 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 31.194 37.622 -7.098 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 30.234 38.786 -7.233 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 70.027 45.884 -14.390 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 70.472 45.705 -15.218 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 70.652 45.611 -13.718 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 31.155 29.818 64.897 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 31.617 30.583 65.241 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 31.839 29.288 64.489 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 35.303 43.335 13.829 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 36.233 43.409 14.045 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 34.890 43.045 14.643 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 87.379 35.281 25.459 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 87.721 34.948 26.288 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 87.236 36.214 25.616 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 48.086 48.485 -17.199 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 48.081 47.609 -17.585 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 47.894 48.340 -16.272 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 65.577 18.495 41.973 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 65.119 19.094 41.383 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 65.559 17.652 41.521 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 24.946 70.184 -18.486 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 25.473 70.816 -18.976 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 25.357 70.148 -17.622 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 54.790 30.583 9.736 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 54.209 31.313 9.952 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 54.199 29.860 9.525 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 80.380 8.292 -18.615 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 81.232 8.604 -18.920 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 80.580 7.511 -18.099 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 87.506 27.595 -4.489 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 88.234 27.998 -4.963 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 86.746 28.129 -4.718 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 75.264 28.852 34.642 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 74.577 29.511 34.542 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 75.726 29.107 35.441 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 68.320 38.190 16.383 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 68.751 38.897 16.863 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 67.600 38.617 15.920 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 78.689 43.442 1.325 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 77.896 43.045 1.687 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 79.340 43.351 2.021 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 76.876 15.247 -17.988 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 77.173 14.368 -17.753 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 76.135 15.101 -18.575 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 88.660 85.531 4.861 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 88.858 84.653 5.187 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 87.737 85.664 5.074 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 61.775 22.160 35.638 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 61.672 22.824 34.956 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 62.432 21.557 35.290 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 54.876 57.655 66.226 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 54.671 56.723 66.156 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 54.169 58.017 66.759 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 75.372 26.608 -3.706 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 75.365 27.520 -3.998 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 76.089 26.205 -4.195 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 25.042 46.836 66.421 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 24.109 47.034 66.350 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 25.110 46.274 67.193 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 58.600 46.325 50.639 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 58.256 45.451 50.822 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 57.859 46.802 50.265 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 59.946 89.296 19.585 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 60.796 88.877 19.719 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 59.681 89.026 18.705 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 33.486 55.329 -18.387 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 34.176 54.674 -18.487 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 33.746 55.837 -17.618 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 54.452 5.060 39.186 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 53.734 5.298 38.600 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 55.062 4.573 38.632 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 53.426 14.763 46.948 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 52.567 14.573 47.327 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 53.725 13.924 46.598 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 40.856 56.800 9.971 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 41.260 57.234 10.722 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 40.329 56.098 10.355 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 32.512 41.813 -14.415 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 32.868 41.552 -15.264 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 32.986 41.276 -13.780 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 54.303 20.450 64.736 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 54.019 19.728 65.297 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 55.201 20.631 65.014 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 50.176 3.945 40.928 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 50.696 4.337 41.630 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 50.309 3.002 41.030 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 33.664 17.057 40.692 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 33.409 16.832 39.797 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 34.532 17.451 40.603 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 76.558 84.724 44.605 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 77.065 84.783 45.415 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 77.192 84.444 43.945 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 80.038 46.491 7.588 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 79.731 46.081 8.397 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 80.977 46.616 7.724 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 79.646 75.021 -11.214 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 79.766 75.530 -10.412 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 80.447 75.172 -11.716 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 62.365 9.107 14.655 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 63.039 9.142 15.333 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 62.635 8.389 14.083 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 75.202 31.177 51.393 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 75.986 30.664 51.199 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 75.398 32.052 51.059 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 72.461 55.386 11.367 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 71.932 54.815 10.809 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 72.283 55.084 12.257 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 38.078 31.574 -7.274 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 37.528 30.886 -7.649 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 37.832 31.602 -6.350 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 46.487 21.436 -4.856 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 45.896 20.726 -4.605 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 47.033 21.061 -5.547 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 44.592 11.873 44.431 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 45.047 11.629 43.625 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 43.673 11.949 44.174 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 76.011 53.054 -0.630 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 75.296 52.783 -1.205 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 75.685 52.886 0.254 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 44.195 25.705 55.088 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 44.499 26.507 55.514 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 43.772 25.207 55.788 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 86.212 67.818 -17.683 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 85.923 68.730 -17.647 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 86.953 67.825 -18.288 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 60.781 45.100 62.340 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 60.353 45.416 63.135 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 60.999 45.895 61.853 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 51.806 18.543 24.142 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 51.451 18.345 25.008 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 51.861 19.499 24.117 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 83.557 11.490 3.834 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 83.201 10.775 4.361 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 83.977 11.056 3.092 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 26.553 94.628 38.751 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 27.487 94.600 38.957 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 26.511 95.002 37.871 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 90.141 36.208 24.226 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 89.839 36.975 24.712 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 89.486 35.534 24.410 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 41.306 67.419 8.587 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 41.634 67.001 9.383 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 42.034 67.363 7.968 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 90.098 9.434 46.322 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 89.545 9.207 45.574 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 90.698 10.099 45.985 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 64.410 34.219 12.742 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 63.781 34.565 13.375 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 63.870 33.814 12.063 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 52.747 53.310 55.592 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 52.532 53.644 54.721 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 51.991 52.778 55.838 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 53.160 58.445 -19.081 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 52.369 58.170 -18.617 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 53.804 58.597 -18.390 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 89.014 36.456 59.033 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 88.062 36.385 58.967 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 89.164 36.918 59.858 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 34.659 51.731 5.453 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 34.601 52.393 6.142 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 34.820 52.232 4.653 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 75.170 96.227 11.799 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 75.818 95.600 12.120 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 74.392 95.699 11.621 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 65.103 20.856 18.930 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 65.582 21.495 18.402 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 64.694 21.375 19.623 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 49.773 58.485 10.082 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 49.761 59.426 9.908 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 50.592 58.338 10.555 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 23.637 49.073 35.534 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 24.149 48.669 34.834 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 22.728 48.870 35.315 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 68.116 18.860 30.326 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 67.966 17.916 30.374 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 68.182 19.046 29.389 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 79.780 69.887 40.760 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 80.558 69.607 40.277 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 79.484 70.674 40.304 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 76.414 28.796 42.676 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 76.242 27.948 43.086 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 75.774 28.854 41.967 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 78.095 53.738 19.053 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 77.896 52.805 19.129 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 77.659 54.012 18.246 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 74.741 36.098 39.348 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 75.500 36.083 38.765 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 75.001 36.675 40.066 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 41.784 91.110 -18.049 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 40.963 90.704 -18.329 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 42.455 90.687 -18.584 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 59.587 14.976 9.496 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 58.934 14.305 9.296 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 60.420 14.589 9.227 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 84.107 64.098 34.011 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 84.121 63.457 33.300 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 83.491 64.769 33.719 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 53.203 73.602 3.214 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 53.883 72.928 3.232 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 52.850 73.610 4.103 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 29.367 3.615 33.596 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 29.162 3.217 34.441 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 28.690 3.285 33.005 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 74.667 35.660 61.178 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 74.673 34.823 61.641 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 73.977 35.566 60.521 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 90.727 48.201 14.910 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 90.162 47.772 14.268 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 90.206 48.935 15.236 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 31.439 95.296 64.144 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 30.961 94.692 64.711 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 31.014 95.211 63.290 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 34.389 27.202 23.174 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 34.000 26.354 23.388 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 33.850 27.539 22.458 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 62.404 46.408 16.684 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 62.709 47.308 16.798 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 61.454 46.485 16.601 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 22.374 80.653 0.899 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 22.001 79.987 0.321 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 23.321 80.539 0.817 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 23.169 47.885 14.996 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 22.228 48.007 14.866 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 23.373 47.076 14.528 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 50.160 17.972 65.726 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 50.038 17.166 65.225 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 50.064 18.672 65.080 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 56.952 26.137 64.456 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 57.590 26.453 65.097 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 56.281 25.700 64.981 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 56.161 6.657 45.722 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 56.258 7.427 46.283 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 55.362 6.232 46.033 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 28.279 85.150 42.872 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 28.121 84.244 42.605 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 28.629 85.574 42.089 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 34.889 78.946 40.160 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 34.178 78.591 39.626 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 35.392 78.178 40.430 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 75.301 39.449 27.597 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 74.571 39.277 27.003 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 75.201 40.369 27.841 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 77.020 56.319 1.559 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 76.517 55.599 1.940 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 76.575 57.110 1.864 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 54.430 15.190 3.044 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 54.609 14.267 2.864 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 55.211 15.650 2.735 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 38.548 56.134 14.031 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 38.410 57.079 13.967 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 39.189 56.034 14.735 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 77.793 49.898 22.321 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 76.923 49.500 22.283 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 78.187 49.538 23.115 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 47.128 74.119 -2.491 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 48.034 74.429 -2.498 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 47.001 73.767 -1.610 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 45.329 3.845 -12.147 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 46.119 3.310 -12.066 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 45.419 4.279 -12.995 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 58.587 18.126 62.552 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 57.646 18.284 62.631 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 58.726 17.284 62.985 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 59.476 45.967 16.529 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 58.957 45.319 16.053 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 58.936 46.201 17.283 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 23.158 21.508 -17.605 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 23.462 21.781 -18.471 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 22.313 21.943 -17.500 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 36.918 34.952 52.278 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 36.398 35.335 51.572 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 36.812 34.007 52.169 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 73.010 48.813 32.454 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 73.677 48.139 32.327 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 73.505 49.628 32.541 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 40.781 40.367 21.766 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 41.543 40.941 21.844 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 41.117 39.493 21.964 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 40.410 50.142 53.361 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 41.282 49.749 53.387 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 40.518 50.928 52.825 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 81.379 37.747 24.419 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 81.419 37.093 25.117 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 80.448 37.816 24.208 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 54.559 49.827 25.211 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 54.369 50.232 24.365 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 55.510 49.725 25.220 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 85.781 50.985 22.758 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 84.853 50.750 22.755 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 86.057 50.884 21.848 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 72.786 90.737 55.527 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 72.990 90.534 56.440 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 73.145 90.002 55.031 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 57.358 22.898 52.010 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 57.434 23.714 51.517 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 56.635 22.431 51.592 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 25.143 66.482 28.758 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 25.049 67.313 29.224 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 25.188 66.728 27.834 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 62.732 34.991 6.657 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 63.256 35.786 6.554 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 62.247 35.128 7.471 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 59.162 86.976 -8.628 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 59.849 86.715 -8.014 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 59.394 87.870 -8.881 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 76.629 75.894 -17.948 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 76.077 76.659 -17.788 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 77.327 76.217 -18.518 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 32.803 78.988 -0.965 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 32.770 78.260 -1.586 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 33.721 79.258 -0.959 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 56.151 7.080 32.654 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 55.836 7.568 31.893 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 57.060 7.361 32.760 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 76.641 73.726 8.984 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 76.467 74.268 9.755 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 75.812 73.279 8.814 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 69.450 76.739 39.253 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 69.227 76.733 38.322 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 69.488 75.815 39.497 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 42.396 60.264 -13.745 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 42.208 61.146 -14.066 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 41.590 59.991 -13.308 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 46.530 27.981 -11.599 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 45.800 27.937 -10.981 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 47.305 27.799 -11.067 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 56.108 14.737 42.990 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 56.462 15.510 43.431 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 55.502 15.090 42.338 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 22.098 34.737 -16.329 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 22.518 35.596 -16.300 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 22.579 34.212 -15.690 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 68.278 56.615 15.552 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 68.162 55.695 15.788 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 67.411 56.899 15.261 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 86.633 54.910 18.684 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 86.606 55.867 18.648 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 85.927 54.672 19.285 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 37.579 41.514 4.184 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 37.903 40.618 4.095 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 37.566 41.855 3.289 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 31.500 50.851 11.841 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 32.426 50.792 12.076 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 31.334 50.063 11.324 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 37.258 32.380 20.861 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 37.331 31.635 20.264 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 36.477 32.848 20.566 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 22.315 64.929 52.479 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 23.271 64.989 52.482 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 22.025 65.732 52.048 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 90.094 51.062 -5.531 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 90.470 51.769 -6.054 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 89.149 51.149 -5.654 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 66.157 82.761 41.171 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 65.287 83.158 41.130 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 66.041 81.986 41.721 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 81.379 45.311 62.144 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 80.648 45.204 61.536 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 81.143 46.075 62.670 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 88.276 25.921 43.278 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 88.352 25.327 44.024 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 89.146 26.310 43.190 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 39.654 68.701 37.930 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 39.607 69.635 38.135 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 40.165 68.659 37.122 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 29.981 20.753 48.892 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 30.231 19.905 49.258 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 30.809 21.156 48.631 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 35.611 28.925 35.075 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 36.235 29.596 35.350 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 36.051 28.468 34.357 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 87.390 43.700 41.893 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 88.234 43.723 41.443 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 87.545 44.161 42.717 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 86.313 26.391 56.367 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 85.357 26.369 56.402 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 86.512 26.975 55.635 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 46.431 67.846 -13.435 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 45.745 68.163 -14.022 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 45.980 67.247 -12.840 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 40.605 87.304 43.735 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 40.058 86.786 44.325 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 40.429 86.944 42.866 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 24.396 73.245 -18.310 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 25.226 73.119 -17.850 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 23.747 72.815 -17.754 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 78.167 67.543 41.113 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 78.634 68.281 40.721 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 77.526 67.949 41.698 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 59.699 24.768 35.052 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 59.474 24.085 34.421 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 59.939 25.522 34.515 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 26.669 53.322 16.754 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 27.455 53.317 17.302 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 26.578 52.417 16.457 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 37.800 7.733 0.519 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 37.623 7.301 1.354 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 37.834 7.019 -0.118 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 83.035 9.772 39.177 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 82.604 9.490 38.370 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 82.457 10.445 39.536 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 79.677 6.265 34.724 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 79.294 5.400 34.872 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 79.917 6.266 33.798 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 28.600 40.951 65.967 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 28.855 41.801 66.325 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 29.402 40.607 65.574 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 85.722 60.520 18.697 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 86.195 61.239 18.277 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 84.859 60.884 18.896 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 76.872 50.224 61.992 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 77.787 50.452 62.157 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 76.458 51.053 61.753 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 33.471 44.298 48.014 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 33.427 45.057 47.433 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 34.406 44.173 48.175 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 47.358 62.427 47.770 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 47.938 62.114 47.075 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 47.398 63.381 47.704 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 60.262 41.320 60.788 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 61.090 41.781 60.922 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 59.821 41.814 60.097 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 38.518 63.577 1.404 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 38.361 63.243 2.287 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 38.501 64.529 1.500 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 73.157 85.468 22.809 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 73.523 85.609 21.936 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 72.827 84.570 22.788 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 45.189 37.023 -15.252 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 46.053 36.749 -14.946 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 45.039 37.866 -14.824 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 33.408 25.106 14.571 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 33.414 25.768 13.880 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 32.491 24.841 14.642 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 85.090 32.481 24.295 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 85.098 33.349 23.891 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 85.248 32.646 25.224 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 72.752 18.483 1.118 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 73.065 19.387 1.069 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 73.549 17.957 1.196 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 38.488 46.857 56.764 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 38.207 47.152 57.630 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 39.089 46.134 56.940 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 40.859 56.830 57.723 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 41.491 57.398 58.163 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 40.299 56.504 58.426 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 28.828 44.500 60.875 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 28.324 44.243 61.647 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 29.719 44.627 61.201 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 42.512 83.933 31.860 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 43.130 83.462 32.420 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 42.534 84.834 32.183 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 57.819 40.863 23.689 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 57.273 40.932 22.906 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 57.308 41.290 24.376 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 28.087 10.463 66.218 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 27.468 9.736 66.147 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 28.904 10.118 65.859 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 63.222 9.949 -0.716 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 63.395 10.750 -1.210 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 63.157 10.236 0.194 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 76.440 95.207 52.025 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 76.013 95.884 52.550 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 75.996 94.395 52.272 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 68.965 30.196 33.814 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 68.224 29.787 34.261 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 68.878 29.919 32.902 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 79.434 70.575 -16.492 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 79.138 70.241 -15.645 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 79.195 69.891 -17.117 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 66.011 35.843 -14.845 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 65.965 34.977 -15.250 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 65.150 36.230 -15.007 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 87.262 93.207 61.589 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 87.150 94.158 61.594 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 87.807 93.034 60.821 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 33.743 45.451 -12.378 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 34.197 45.793 -13.149 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 32.904 45.136 -12.714 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 69.351 2.703 56.918 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 70.210 2.915 56.551 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 69.537 2.073 57.614 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 62.660 24.255 67.194 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 61.874 23.830 66.850 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 62.346 25.085 67.553 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 29.607 71.367 1.735 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 30.514 71.144 1.944 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 29.217 70.541 1.448 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 32.302 48.536 -15.523 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 32.861 49.297 -15.683 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 31.645 48.847 -14.901 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 27.255 64.952 8.312 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 27.405 64.751 9.236 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 27.256 65.908 8.271 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 65.854 61.900 42.976 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 65.722 62.004 42.034 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 64.969 61.875 43.341 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 20.268 76.259 39.853 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 20.162 77.187 39.644 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 20.806 75.912 39.142 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 24.775 34.390 26.489 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 24.654 33.518 26.114 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 24.773 34.978 25.734 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 55.513 41.742 21.909 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 56.305 41.669 21.376 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 55.332 42.681 21.941 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 50.898 82.992 26.519 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 50.518 82.163 26.226 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 51.677 83.104 25.974 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 83.510 55.677 16.364 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 83.736 55.735 17.292 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 83.183 54.785 16.252 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 65.855 93.364 19.017 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 66.078 93.075 18.132 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 65.780 94.316 18.948 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 64.832 31.556 21.389 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 65.741 31.421 21.657 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 64.803 31.259 20.480 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 89.434 75.144 25.387 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 88.923 74.569 24.818 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 89.605 75.920 24.854 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 28.882 70.564 47.936 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 29.831 70.592 47.813 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 28.629 69.689 47.642 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 71.445 0.306 -8.146 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 71.561 0.359 -7.198 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 70.505 0.424 -8.281 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 71.248 61.396 -12.964 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 70.629 62.059 -13.271 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 70.709 60.621 -12.803 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 81.808 72.021 13.947 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 82.503 71.362 13.930 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 81.289 71.803 14.721 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 34.821 51.147 -5.616 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 34.560 51.086 -4.697 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 34.047 51.489 -6.064 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 69.234 31.236 23.720 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 69.782 31.797 23.171 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 69.591 30.357 23.596 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 26.788 73.916 -3.531 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 27.720 73.984 -3.326 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 26.490 73.148 -3.044 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 88.183 49.359 15.442 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 87.686 48.549 15.328 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 87.665 50.024 14.989 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 64.858 71.844 36.156 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 63.908 71.915 36.061 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 65.051 70.927 35.961 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 33.734 65.894 -6.986 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 33.219 66.700 -7.030 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 33.669 65.520 -7.865 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 54.824 67.376 53.836 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 53.938 67.453 54.190 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 55.392 67.383 54.607 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 88.770 76.086 13.226 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 88.687 76.010 12.276 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 88.197 75.403 13.573 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 90.921 62.533 30.040 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 90.247 62.317 30.685 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 90.832 63.477 29.907 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 59.426 74.731 63.595 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 59.245 73.817 63.373 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 59.124 75.226 62.833 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 71.728 32.688 -15.978 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 70.860 32.748 -16.377 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 72.207 32.074 -16.535 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 23.162 34.475 3.711 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 23.587 35.174 4.207 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 23.173 34.783 2.804 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 79.008 58.428 10.769 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 79.317 59.166 11.294 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 78.971 57.695 11.384 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 71.257 39.486 22.923 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 70.934 39.155 23.761 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 70.811 40.325 22.808 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 34.181 28.965 25.115 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 34.541 29.796 24.805 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 34.500 28.316 24.487 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 72.643 3.273 -2.857 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 72.112 2.517 -3.107 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 72.712 3.793 -3.657 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 63.182 37.090 19.238 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 62.276 37.107 19.547 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 63.516 36.238 19.521 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 65.456 69.543 -2.434 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 64.746 68.967 -2.150 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 65.090 70.425 -2.366 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 53.120 27.705 -1.502 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 52.502 28.397 -1.263 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 53.873 28.171 -1.866 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 38.081 82.105 67.267 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 38.230 81.249 67.669 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 37.652 81.908 66.435 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 51.204 4.948 29.964 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 50.270 4.992 29.761 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 51.491 5.862 29.971 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 42.328 28.288 65.389 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 42.682 29.157 65.581 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 43.062 27.811 65.002 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 26.321 93.709 34.476 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 27.134 93.381 34.861 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 25.632 93.188 34.890 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 59.466 30.495 58.683 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 58.960 31.241 59.006 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 60.217 30.442 59.274 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 81.721 89.602 54.652 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 82.106 90.442 54.403 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 82.471 89.051 54.877 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 54.498 67.122 48.212 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 54.921 67.838 48.687 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 54.352 67.472 47.333 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 55.196 73.212 47.187 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 54.868 73.178 46.289 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 56.109 72.932 47.120 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 66.175 59.183 31.798 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 65.692 58.444 32.168 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 66.058 59.889 32.434 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 72.002 71.553 55.217 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 71.185 71.300 55.646 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 71.815 71.482 54.281 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 85.070 83.663 38.360 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 84.161 83.388 38.244 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 85.422 83.713 37.471 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 49.396 72.761 26.902 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 49.883 73.204 26.207 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 49.072 71.958 26.494 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 57.830 84.196 12.132 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 57.431 84.134 13.000 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 57.427 84.970 11.738 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 32.620 50.911 55.630 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 33.041 51.721 55.343 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 32.006 51.187 56.310 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 72.482 42.451 23.396 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 71.789 43.100 23.517 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 72.184 41.916 22.660 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 27.062 84.588 29.098 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 27.264 83.696 29.380 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 27.898 85.052 29.154 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 66.785 94.019 -13.075 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 66.235 93.300 -13.388 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 67.641 93.856 -13.472 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 71.888 42.378 -18.641 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 71.963 43.075 -19.293 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 72.548 42.594 -17.982 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 34.174 89.860 47.324 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 35.125 89.960 47.360 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 34.024 89.253 46.599 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 40.923 13.496 2.754 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 40.503 14.343 2.608 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 40.196 12.876 2.822 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 49.778 55.042 -10.202 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 49.382 55.622 -9.552 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 50.537 55.527 -10.525 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 64.357 48.980 47.935 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 65.133 48.560 47.564 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 63.772 49.107 47.188 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 47.569 79.934 63.880 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 48.460 80.139 64.164 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 47.251 80.746 63.484 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 52.096 86.218 31.675 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 51.645 86.697 32.370 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 52.750 85.690 32.134 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 41.404 68.511 61.540 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 42.122 68.328 60.934 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 41.097 67.647 61.817 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 72.348 76.281 -8.394 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 73.187 76.031 -8.007 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 72.318 75.810 -9.226 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 88.472 5.356 3.727 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 87.536 5.261 3.905 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 88.635 6.297 3.791 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 53.482 96.109 48.029 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 53.854 96.915 48.386 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 53.547 96.214 47.080 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 45.190 41.251 65.732 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 45.132 41.438 66.669 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 45.140 40.297 65.674 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 78.255 71.745 51.470 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 78.094 70.821 51.659 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 77.691 72.217 52.084 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 40.159 38.641 12.260 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 41.110 38.617 12.368 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 39.982 39.504 11.886 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 27.266 21.364 53.188 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 28.093 21.064 52.810 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 27.474 21.546 54.105 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 47.681 78.863 19.566 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 46.961 78.536 19.027 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 48.292 78.127 19.621 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 71.368 36.348 28.261 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 71.879 35.539 28.259 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 71.967 37.010 28.605 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 85.271 81.364 -10.203 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 85.432 81.779 -9.355 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 86.000 80.753 -10.313 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 80.581 69.512 31.744 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 80.432 68.722 31.225 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 79.783 70.028 31.631 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 42.141 24.706 -5.867 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 42.739 24.171 -6.389 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 42.638 25.500 -5.672 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 48.706 89.353 -7.920 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 48.276 89.914 -8.566 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 48.976 88.580 -8.416 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 32.647 20.281 61.051 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 32.957 20.739 60.270 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 32.396 19.413 60.736 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 70.168 28.557 24.448 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 71.058 28.392 24.759 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 70.177 28.274 23.533 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 29.175 14.158 34.977 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 29.626 14.512 35.743 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 28.921 14.929 34.469 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 70.704 66.587 51.057 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 71.554 66.806 50.675 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 70.504 65.716 50.714 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 80.385 39.512 19.166 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 79.509 39.522 19.551 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 80.345 40.163 18.465 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 65.191 49.582 25.152 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 64.548 50.115 24.684 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 64.694 48.827 25.467 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 89.718 84.576 26.930 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 89.178 85.333 26.703 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 90.541 84.953 27.240 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 88.888 25.237 -17.054 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 88.556 24.688 -16.344 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 88.333 26.017 -17.035 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 37.478 51.839 -6.021 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 37.346 52.524 -5.366 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 36.697 51.289 -5.954 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 63.009 0.477 -10.591 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 62.380 -0.164 -10.922 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 62.491 1.056 -10.032 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 74.888 43.280 10.919 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 74.930 44.137 10.493 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 75.776 42.931 10.845 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 55.944 61.495 -7.940 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 54.995 61.376 -7.969 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 56.247 60.848 -7.302 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 82.124 14.634 -14.717 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 81.274 14.943 -14.404 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 81.912 13.957 -15.359 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 79.143 66.156 67.344 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 78.345 65.714 67.053 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 79.700 66.182 66.565 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 21.129 59.945 19.533 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 21.826 59.491 20.007 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 20.381 59.350 19.577 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 88.880 14.838 -7.548 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 89.404 14.374 -6.896 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 89.509 15.392 -8.011 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 77.199 49.827 16.506 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 76.370 49.643 16.066 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 77.035 50.629 17.002 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 45.219 71.904 -9.251 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 44.430 72.381 -8.993 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 45.538 71.512 -8.438 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 32.138 19.787 5.132 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 32.630 20.605 5.205 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 31.947 19.540 6.037 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 64.518 9.496 12.543 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 64.180 8.821 11.955 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 63.757 10.040 12.746 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 73.807 40.230 1.015 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 74.275 39.995 1.816 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 74.413 40.008 0.309 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 26.271 49.337 8.122 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 26.361 50.283 8.008 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 26.128 49.001 7.237 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 57.017 15.252 39.562 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 57.036 16.208 39.525 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 56.176 15.013 39.174 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 64.258 31.328 0.586 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 64.493 31.165 1.500 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 63.315 31.494 0.607 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 82.621 84.238 57.999 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 82.539 83.305 58.196 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 83.177 84.270 57.220 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 59.270 13.734 34.311 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 59.159 13.018 33.686 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 59.047 14.522 33.815 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 70.618 48.850 30.455 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 71.437 48.725 30.934 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 69.935 48.605 31.080 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 60.341 90.010 10.660 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 60.087 89.196 11.094 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 59.618 90.199 10.061 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 22.581 11.945 36.051 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 22.300 11.337 36.735 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 22.856 11.383 35.327 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 45.839 2.709 -20.039 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 45.204 2.045 -19.771 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 46.617 2.525 -19.514 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 65.231 78.394 6.592 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 64.576 78.801 7.160 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 65.213 77.467 6.832 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 79.764 37.936 63.518 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 80.411 37.443 64.023 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 79.977 37.746 62.605 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 46.805 42.576 46.257 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 46.765 41.909 45.572 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 47.145 43.354 45.815 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 47.261 3.277 -14.692 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 48.066 2.948 -14.293 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 47.291 4.223 -14.546 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 59.592 75.673 -5.214 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 59.144 75.515 -6.045 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 59.415 76.593 -5.016 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 62.646 19.047 15.584 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 62.135 19.443 16.290 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 62.497 19.618 14.830 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 65.222 91.993 56.099 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 65.600 91.390 56.740 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 64.918 92.737 56.619 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 86.578 95.326 1.855 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 86.704 94.876 1.019 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 86.845 94.686 2.514 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 63.117 21.358 27.819 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 63.947 21.160 28.253 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 63.079 22.314 27.798 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 84.457 27.937 -10.383 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 84.696 27.045 -10.130 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 84.943 28.095 -11.192 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 84.328 91.025 -3.856 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 85.277 91.148 -3.854 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 84.050 91.315 -4.724 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 21.082 88.301 -15.527 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 21.753 87.714 -15.178 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 20.272 88.018 -15.102 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 44.063 1.267 5.618 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 43.695 2.100 5.911 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 45.011 1.386 5.686 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 70.097 81.814 34.290 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 70.924 82.290 34.212 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 69.427 82.497 34.304 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 54.105 5.778 62.036 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 53.424 6.331 62.420 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 54.654 5.523 62.777 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 26.739 5.527 65.469 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 25.817 5.318 65.617 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 26.788 5.752 64.540 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 79.941 65.855 -17.076 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 79.814 66.376 -17.869 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 80.270 65.014 -17.392 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 21.897 35.001 -19.384 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 21.607 34.590 -18.569 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 22.672 34.502 -19.641 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 89.606 86.898 41.267 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 89.107 86.578 40.516 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 90.438 87.192 40.896 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 37.805 11.018 55.443 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 37.286 11.822 55.475 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 38.296 11.016 56.265 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 32.861 78.196 16.018 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 32.050 78.413 16.477 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 32.598 78.083 15.105 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 58.451 28.052 41.652 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 58.220 28.974 41.768 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 58.382 27.904 40.709 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 23.160 51.438 -13.295 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 22.330 50.965 -13.340 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 23.302 51.585 -12.360 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 68.152 19.394 27.699 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 68.268 19.271 26.757 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 67.887 20.309 27.791 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 48.322 38.737 49.366 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 47.775 39.324 49.889 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 48.437 39.195 48.533 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 49.306 14.004 10.802 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 48.520 13.465 10.718 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 49.312 14.279 11.719 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 40.975 11.763 -4.487 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 40.655 12.660 -4.581 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 40.809 11.358 -5.338 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 50.279 8.965 22.193 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 49.425 9.383 22.307 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 50.091 8.161 21.711 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 42.767 19.507 37.316 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 43.518 19.530 36.723 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 42.014 19.697 36.758 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 29.167 53.350 -16.929 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 29.906 53.134 -17.498 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 29.513 54.009 -16.327 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 25.770 80.772 28.377 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 25.891 81.178 29.235 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 25.631 79.844 28.569 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 57.616 4.093 61.026 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 57.084 3.600 60.402 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 57.322 3.790 61.885 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 65.896 54.730 9.947 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 65.972 54.924 10.882 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 65.221 54.053 9.897 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 45.022 80.087 22.545 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 45.972 80.112 22.427 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 44.889 79.510 23.297 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 78.860 35.227 4.267 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 78.823 34.425 4.789 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 79.760 35.536 4.366 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 73.403 3.860 36.632 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 73.906 3.748 35.825 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 73.713 4.689 36.996 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 24.630 75.559 63.165 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 24.587 76.307 63.760 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 24.014 75.774 62.464 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 65.505 45.101 -19.160 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 66.305 45.584 -19.364 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 65.569 44.913 -18.223 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 74.682 84.688 33.440 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 74.967 84.244 34.238 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 75.393 85.296 33.236 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 63.608 14.646 65.710 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 62.686 14.903 65.669 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 63.635 13.782 65.300 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 20.572 69.020 -9.020 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 21.480 68.805 -9.236 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 20.617 69.897 -8.639 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 38.703 72.530 26.755 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 38.755 72.088 27.602 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 39.448 72.190 26.260 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 81.685 91.030 34.096 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 82.270 91.671 33.694 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 81.409 90.468 33.372 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 48.070 38.681 52.594 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 47.225 38.450 52.208 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 47.848 39.106 53.422 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 21.920 80.375 56.716 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 21.048 80.093 56.992 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 22.502 79.673 57.006 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 31.812 2.794 57.863 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 32.422 2.803 58.601 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 31.172 2.119 58.089 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 89.398 5.854 7.216 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 88.980 6.712 7.293 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 89.799 5.705 8.073 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 71.916 74.857 65.895 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 71.695 74.040 65.447 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 71.494 75.538 65.371 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 56.438 72.486 34.811 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 55.591 72.934 34.825 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 56.219 71.562 34.695 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 71.751 48.707 -7.978 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 72.149 47.876 -7.717 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 70.821 48.600 -7.782 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 39.151 46.489 66.167 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 40.004 46.879 66.359 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 39.260 45.561 66.373 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 41.663 64.576 61.468 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 42.383 65.012 61.013 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 41.989 63.693 61.642 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 67.636 15.079 21.408 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 67.766 15.653 20.654 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 67.430 15.673 22.130 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 78.515 13.582 37.163 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 78.767 12.961 36.480 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 79.342 13.972 37.449 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 78.380 39.353 -11.164 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 77.692 40.018 -11.194 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 78.549 39.225 -10.231 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 66.421 41.568 52.612 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 66.560 42.403 53.059 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 65.671 41.725 52.038 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 65.288 11.579 61.597 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 65.508 12.117 62.357 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 65.387 10.678 61.904 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 88.078 15.954 38.334 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 88.101 16.859 38.023 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 87.716 16.013 39.218 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 40.347 27.009 20.646 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 39.666 26.403 20.353 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 39.904 27.582 21.272 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 75.198 30.778 -9.772 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 75.533 31.198 -10.564 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 75.866 30.951 -9.108 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 70.927 36.465 50.199 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 70.561 36.591 49.324 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 70.983 37.347 50.566 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 25.138 11.338 56.819 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 25.055 11.913 56.058 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 25.639 10.588 56.499 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 70.879 42.864 -10.380 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 70.135 42.332 -10.661 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 70.565 43.326 -9.603 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 84.648 38.024 15.084 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 84.850 37.090 15.134 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 83.819 38.116 15.553 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 65.230 34.959 27.066 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 65.354 35.572 26.342 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 65.222 34.096 26.653 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 61.587 30.914 37.977 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 61.023 31.289 37.300 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 61.078 30.188 38.337 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 40.277 36.976 40.937 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 39.374 36.661 40.917 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 40.340 37.571 40.191 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 75.398 33.588 32.372 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 75.307 33.178 31.512 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 74.805 34.339 32.345 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 69.310 44.146 -1.723 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 68.858 44.132 -0.880 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 69.847 43.354 -1.721 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 46.167 5.835 59.437 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 45.210 5.826 59.431 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 46.416 5.465 58.590 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 21.822 64.150 28.299 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 21.626 63.234 28.104 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 21.628 64.616 27.486 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 50.354 27.903 -12.873 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 50.818 27.838 -12.039 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 49.745 27.164 -12.868 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 69.934 24.761 -5.930 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 69.117 25.259 -5.971 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 70.612 25.425 -5.803 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 25.435 84.141 61.954 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 26.181 84.737 62.029 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 25.746 83.438 61.383 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 21.072 21.750 39.121 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 21.380 20.854 39.258 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 21.093 21.868 38.171 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 90.615 74.129 60.712 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 90.108 73.750 61.430 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 90.112 74.898 60.444 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 24.159 23.370 30.350 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 24.074 23.547 29.413 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 24.448 24.202 30.725 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 36.775 90.146 11.842 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 37.598 90.628 11.918 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 36.547 89.915 12.742 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 40.708 11.480 61.437 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 41.302 12.009 60.904 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 40.449 12.059 62.154 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 45.824 76.365 57.963 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 45.919 76.896 58.754 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 46.700 76.013 57.804 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 81.862 87.849 25.635 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 81.122 88.097 26.189 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 82.603 87.788 26.238 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 47.277 93.696 17.876 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 48.022 93.095 17.916 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 46.794 93.532 18.686 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 48.055 96.763 55.456 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 48.935 96.939 55.788 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 47.901 95.841 55.663 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 69.812 0.988 59.392 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 70.039 0.224 58.861 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 70.599 1.165 59.907 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 35.093 11.007 30.583 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 34.401 10.346 30.539 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 34.831 11.581 31.303 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 35.632 29.130 32.093 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 36.294 29.814 32.194 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 36.069 28.329 32.382 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 38.010 18.198 29.004 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 38.270 19.106 28.844 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 38.708 17.843 29.555 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 54.544 11.959 12.650 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 55.135 11.712 13.361 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 54.729 12.885 12.494 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 82.187 26.004 -18.041 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 82.877 26.596 -17.743 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 82.109 25.354 -17.342 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 60.937 46.634 31.320 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 60.729 47.517 31.013 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 61.179 46.155 30.528 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 63.253 47.625 24.600 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 62.687 48.388 24.721 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 62.843 47.133 23.889 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 75.127 17.843 58.435 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 75.616 18.663 58.366 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 74.250 18.060 58.117 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 65.639 7.983 2.158 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 64.979 7.297 2.259 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 66.282 7.800 2.843 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 20.498 34.687 -0.036 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 20.924 33.839 0.092 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 19.954 34.803 0.744 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 59.849 87.588 30.586 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 60.156 88.102 31.333 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 59.012 87.986 30.348 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 31.795 40.377 20.948 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 31.461 41.189 21.331 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 31.633 39.712 21.617 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 40.756 14.295 42.663 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 40.597 14.141 41.732 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 41.089 13.460 42.991 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 80.323 80.134 23.818 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 80.070 80.698 24.549 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 80.641 79.332 24.233 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 43.809 59.521 10.054 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 44.563 60.090 10.213 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 43.779 58.945 10.818 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 87.336 40.398 59.648 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 87.221 41.337 59.504 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 87.402 40.026 58.769 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 31.590 44.333 5.210 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 31.022 43.562 5.187 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 32.174 44.179 5.953 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 23.354 5.117 -6.933 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 23.462 5.932 -6.442 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 22.597 5.276 -7.497 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 82.233 21.945 1.221 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 82.950 22.497 1.532 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 81.448 22.478 1.349 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 33.838 28.788 -1.357 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 33.468 28.501 -0.523 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 34.619 29.286 -1.115 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 48.545 19.198 32.544 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 49.391 18.815 32.775 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 48.692 19.610 31.693 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 57.784 51.521 49.035 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 58.604 51.397 48.558 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 57.780 50.824 49.692 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 75.557 29.466 21.796 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 74.956 28.758 21.564 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 75.207 29.819 22.614 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 63.273 12.569 -1.558 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 63.883 13.283 -1.738 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 62.997 12.711 -0.652 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 47.761 17.756 25.700 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 47.881 18.241 24.883 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 48.067 18.354 26.381 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 61.486 70.985 42.989 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 60.921 71.199 43.731 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 62.271 71.517 43.123 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 69.196 52.284 -8.556 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 68.837 53.164 -8.667 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 69.495 52.260 -7.647 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 48.466 13.862 22.660 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 48.529 14.783 22.406 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 47.526 13.682 22.677 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 78.716 54.911 4.267 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 78.887 55.349 5.100 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 78.804 55.601 3.610 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 41.249 46.128 19.027 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 41.579 45.659 19.794 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 42.017 46.239 18.466 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 58.584 15.364 31.713 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 58.158 15.174 30.877 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 59.302 15.956 31.488 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 37.023 77.987 2.296 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 37.309 78.441 1.503 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 37.830 77.826 2.785 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 78.970 91.529 34.467 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 79.898 91.659 34.269 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 78.957 90.796 35.082 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 86.051 60.044 64.051 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 86.330 60.252 64.943 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 85.202 60.477 63.958 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 29.608 19.106 -15.510 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 29.459 18.350 -14.942 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 30.441 18.920 -15.944 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 68.397 55.610 3.303 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 68.509 56.117 4.107 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 67.531 55.211 3.390 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 32.076 65.359 45.439 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 32.755 65.116 44.810 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 32.205 66.297 45.581 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 72.845 32.230 61.884 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 72.826 33.110 61.509 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 73.615 32.228 62.454 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 76.613 79.462 59.419 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 76.445 78.926 58.645 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 75.749 79.780 59.683 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 57.799 12.697 23.173 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 57.044 12.126 23.310 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 58.297 12.273 22.473 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 43.099 1.225 -15.654 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 42.864 1.292 -14.729 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 42.263 1.276 -16.118 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 45.906 86.068 52.853 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 45.105 85.567 53.004 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 46.062 85.994 51.912 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 88.832 31.415 47.523 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 88.845 30.618 48.054 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 89.334 32.051 48.033 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 75.715 28.466 -8.673 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 75.320 28.461 -7.801 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 75.454 29.306 -9.050 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 62.824 42.701 8.859 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 62.622 43.125 9.693 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 62.906 41.772 9.076 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 33.596 95.180 0.324 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 32.908 95.707 -0.082 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 34.141 94.892 -0.408 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 38.889 28.633 8.877 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 38.836 28.314 9.778 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 39.328 29.481 8.948 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 53.850 27.541 2.214 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 54.547 27.431 1.567 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 54.281 27.404 3.058 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 66.963 44.670 52.827 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 66.225 45.239 53.047 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 67.478 44.623 53.632 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 54.200 49.727 -2.968 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 53.342 49.423 -2.672 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 54.388 50.488 -2.418 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 42.887 11.747 16.754 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 42.658 10.885 16.408 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 43.540 12.086 16.142 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 40.839 3.258 -7.609 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 40.798 2.634 -6.885 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 39.963 3.234 -7.996 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 87.761 19.905 55.491 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 88.364 20.636 55.356 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 86.929 20.319 55.720 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 32.124 63.860 5.142 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 33.065 63.965 5.279 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 31.724 64.536 5.689 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 28.931 17.997 6.190 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 28.780 17.070 6.007 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 29.829 18.033 6.519 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 25.195 66.404 -0.056 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 24.830 66.485 0.825 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 26.101 66.130 0.084 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 75.813 14.459 45.768 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 76.096 13.694 45.268 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 74.896 14.581 45.521 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 61.137 22.427 16.630 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 60.517 22.628 17.331 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 60.669 22.648 15.825 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 90.427 38.488 48.440 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 91.179 38.655 49.009 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 89.670 38.771 48.954 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 36.648 86.309 38.065 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 37.058 87.085 37.681 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 36.457 85.744 37.317 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 72.094 45.045 35.249 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 71.620 45.656 34.684 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 72.730 44.627 34.668 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 39.322 16.559 -15.263 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 40.184 16.233 -15.004 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 38.872 15.793 -15.619 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 70.406 32.345 41.808 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 69.749 32.607 41.163 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 71.238 32.637 41.435 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 60.149 30.850 43.739 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 60.075 31.648 43.217 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 59.253 30.519 43.801 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 20.747 69.616 32.693 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 20.396 69.851 31.834 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 21.686 69.502 32.545 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 26.115 53.520 -9.346 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 27.030 53.749 -9.508 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 26.029 53.533 -8.393 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 33.118 7.000 7.765 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 34.024 6.694 7.772 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 32.971 7.294 6.865 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 46.360 7.146 -7.042 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 45.908 7.988 -7.098 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 46.994 7.166 -7.759 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 76.785 41.887 40.805 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 77.619 42.354 40.860 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 76.964 41.142 40.231 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 90.408 34.386 42.522 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 91.211 34.420 42.002 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 90.142 35.301 42.614 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 36.702 83.503 57.580 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 36.320 82.769 57.099 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 36.691 83.222 58.495 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 80.745 51.570 12.691 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 80.144 50.851 12.496 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 80.230 52.174 13.227 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 31.055 36.405 0.623 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 30.739 36.709 -0.228 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 31.885 35.968 0.428 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 36.761 77.875 26.794 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 37.367 78.605 26.663 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 37.236 77.268 27.361 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 73.094 72.569 67.569 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 72.453 73.273 67.468 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 73.411 72.403 66.681 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 86.194 85.440 5.915 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 85.832 84.612 6.233 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 86.416 85.926 6.709 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 78.380 46.421 -2.946 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 79.326 46.303 -3.026 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 78.263 46.866 -2.106 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 31.780 10.079 42.932 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 32.057 9.721 42.088 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 30.886 9.757 43.048 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 57.533 94.964 37.677 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 57.901 95.435 38.424 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 58.147 95.130 36.962 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 87.405 53.867 54.275 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 86.474 53.969 54.077 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 87.818 53.733 53.422 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 50.580 42.924 35.376 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 50.717 42.855 34.431 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 49.819 42.370 35.549 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 73.460 77.537 63.769 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 73.345 76.640 63.455 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 72.620 77.761 64.170 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 75.299 10.283 62.302 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 74.535 9.710 62.363 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 74.933 11.162 62.203 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 78.814 9.366 56.259 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 78.084 8.923 55.827 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 79.593 8.900 55.953 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 50.401 46.913 -15.177 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 49.607 47.407 -14.970 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 50.087 46.035 -15.394 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 56.490 50.515 -0.124 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 56.453 51.370 -0.552 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 56.085 50.657 0.731 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 21.098 9.199 -18.932 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 21.712 8.487 -19.111 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 21.638 9.890 -18.547 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 65.326 50.133 -18.772 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 64.975 49.543 -18.104 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 64.815 50.936 -18.674 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 65.116 41.626 34.431 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 65.732 42.325 34.212 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 64.382 41.756 33.830 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 20.013 33.153 49.186 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 20.449 33.981 48.985 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 20.726 32.553 49.403 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 43.201 22.367 37.644 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 43.439 21.498 37.970 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 42.258 22.315 37.489 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 54.314 27.935 -11.378 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 55.033 28.454 -11.018 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 53.631 27.976 -10.709 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 61.209 43.637 35.515 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 61.993 43.095 35.424 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 61.316 44.325 34.858 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 54.490 25.573 48.068 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 53.811 24.963 48.357 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 54.056 26.427 48.057 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 42.504 78.053 50.913 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 41.738 77.973 51.481 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 43.217 77.657 51.415 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 27.653 36.098 -13.172 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 26.720 36.032 -13.374 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 28.076 36.200 -14.025 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 74.966 53.338 12.501 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 74.026 53.519 12.517 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 75.224 53.325 13.423 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 23.426 94.057 30.295 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 23.030 94.572 30.999 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 24.276 93.790 30.643 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 77.221 87.328 36.294 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 77.214 87.816 35.470 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 77.166 88.002 36.972 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 89.549 52.015 45.393 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 89.491 51.085 45.174 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 89.327 52.057 46.323 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 67.687 49.306 16.870 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 67.712 48.671 16.155 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 66.754 49.458 17.023 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 86.461 31.615 -12.953 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 85.661 31.934 -13.371 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 86.280 31.671 -12.014 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 86.092 95.213 -9.475 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 85.654 94.383 -9.287 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 86.921 94.960 -9.881 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 64.126 30.880 27.435 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 64.263 31.404 26.646 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 64.418 30.001 27.193 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 61.472 34.272 26.557 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 61.488 35.229 26.539 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 61.252 34.019 25.660 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 75.285 15.274 -10.584 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 75.579 15.709 -9.783 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 74.607 15.851 -10.934 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 86.892 60.501 7.816 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 87.081 59.653 7.414 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 86.584 60.287 8.697 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 89.792 58.461 35.484 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 89.631 58.977 34.694 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 89.806 59.104 36.193 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 52.252 0.798 13.466 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 52.386 0.568 14.386 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 52.551 1.705 13.400 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 36.365 12.654 4.255 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 35.621 12.127 4.546 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 36.393 13.388 4.868 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 57.653 27.578 -2.816 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 57.313 28.471 -2.755 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 56.910 27.060 -3.126 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 65.927 90.277 -3.437 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 65.373 91.034 -3.243 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 65.490 89.841 -4.168 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 21.865 91.221 -2.161 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 21.342 90.994 -1.392 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 22.083 90.378 -2.560 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 78.391 34.110 9.479 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 78.943 33.600 10.072 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 78.401 34.995 9.843 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 86.552 32.478 32.855 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 87.112 32.621 33.618 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 86.266 31.568 32.935 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 87.293 31.161 -3.215 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 86.767 31.384 -2.446 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 87.644 31.998 -3.517 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 83.455 1.927 -0.959 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 84.247 1.519 -1.308 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 83.766 2.714 -0.513 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 48.682 35.757 -6.351 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 47.780 35.776 -6.669 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 49.030 36.623 -6.563 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 28.913 36.962 37.698 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 28.004 37.239 37.584 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 29.018 36.227 37.094 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 34.888 56.560 17.791 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 35.493 55.872 18.066 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 35.426 57.351 17.752 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 89.249 63.562 7.876 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 89.163 62.784 7.325 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 90.146 63.862 7.728 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 89.578 96.613 57.464 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 89.217 95.771 57.740 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 90.342 96.742 58.026 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 35.729 14.574 63.098 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 35.241 13.911 63.586 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 35.705 14.270 62.191 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 49.243 8.145 37.990 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 48.944 7.477 37.373 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 50.058 8.475 37.612 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 82.381 40.275 51.515 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 82.933 41.056 51.556 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 82.023 40.188 52.399 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 58.984 62.824 21.441 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 58.382 63.458 21.051 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 59.177 62.209 20.732 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 65.011 7.969 48.054 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 64.659 8.292 48.883 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 64.654 7.085 47.969 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 82.568 59.134 44.487 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 81.678 59.441 44.315 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 82.450 58.317 44.972 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 78.063 53.061 -9.646 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 78.447 52.744 -8.828 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 77.548 53.825 -9.388 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 36.221 80.174 -16.172 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 35.770 80.258 -15.332 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 36.975 80.759 -16.100 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 20.969 30.388 4.987 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 21.007 31.334 4.852 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 20.790 30.028 4.119 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 33.380 19.227 35.360 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 33.049 18.994 34.492 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 32.654 19.034 35.953 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 67.715 16.062 6.594 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 67.254 16.900 6.631 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 68.615 16.293 6.365 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 34.918 19.986 -4.528 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 34.991 20.941 -4.539 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 35.618 19.685 -5.106 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 58.633 57.285 -5.344 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 57.936 56.701 -5.045 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 59.080 57.556 -4.542 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 29.871 18.064 -7.765 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 30.000 17.700 -6.889 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 30.653 17.802 -8.251 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 61.254 48.345 54.694 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 61.172 48.061 53.783 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 60.833 47.651 55.201 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 73.371 55.461 39.720 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 73.020 55.275 38.849 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 73.234 56.401 39.838 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 77.991 65.847 15.191 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 77.312 65.200 15.001 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 77.600 66.685 14.945 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 67.314 49.876 -3.223 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 66.430 49.781 -3.579 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 67.239 50.581 -2.579 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 75.435 46.232 41.998 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 75.405 45.494 41.389 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 75.159 46.985 41.477 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 24.066 61.436 15.274 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 24.783 62.013 15.008 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 24.468 60.819 15.884 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 83.517 21.162 58.652 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 84.238 21.502 59.183 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 83.275 21.892 58.082 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 28.111 16.744 50.603 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 27.992 17.336 51.345 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 27.222 16.561 50.297 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 33.436 80.236 61.253 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 34.353 80.292 60.986 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 33.114 79.435 60.840 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 52.749 53.813 60.313 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 51.894 54.138 60.031 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 53.184 53.549 59.502 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 38.351 48.054 -14.240 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 39.056 48.643 -14.507 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 38.242 48.220 -13.303 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 67.778 57.954 -1.416 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 67.523 57.650 -0.545 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 68.686 58.238 -1.315 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 74.565 2.570 61.078 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 75.468 2.395 61.345 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 74.574 3.480 60.783 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 55.517 68.619 65.818 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 55.243 68.456 66.721 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 56.340 69.102 65.900 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 48.008 63.141 -16.331 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 47.504 63.632 -16.980 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 48.039 62.248 -16.677 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 58.833 0.208 46.305 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 58.369 0.349 47.130 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 59.619 0.749 46.377 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 34.823 0.291 61.206 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 35.400 0.956 61.582 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 34.562 -0.249 61.952 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 88.819 95.812 14.214 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 89.153 94.915 14.210 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 89.600 96.359 14.295 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 80.699 35.869 -12.075 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 81.154 36.708 -12.152 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 81.238 35.357 -11.473 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 85.729 38.075 -16.651 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 86.051 38.963 -16.806 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 84.781 38.175 -16.566 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 27.890 44.093 63.310 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 28.800 43.983 63.584 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 27.533 44.743 63.916 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 20.941 85.777 10.723 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 20.744 86.078 11.610 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 21.653 85.147 10.836 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 83.797 62.551 -0.084 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 84.619 62.733 0.371 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 83.948 62.848 -0.981 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 89.632 35.304 16.827 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 89.766 35.770 16.002 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 89.537 34.387 16.572 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 59.530 20.654 40.031 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 58.722 20.822 40.516 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 60.100 21.390 40.254 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 36.075 15.918 3.448 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 35.795 16.833 3.459 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 35.264 15.420 3.343 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 44.949 24.906 -12.900 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 44.261 24.385 -13.315 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 45.704 24.319 -12.862 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 61.383 45.004 -11.769 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 60.739 45.280 -11.116 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 61.131 44.107 -11.990 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 57.480 66.399 -8.413 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 58.122 66.998 -8.031 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 57.479 66.611 -9.347 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 82.818 1.467 3.612 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 83.251 0.674 3.296 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 81.885 1.254 3.598 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 73.194 86.248 -5.167 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 73.172 87.096 -5.611 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 72.425 86.256 -4.597 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 47.287 39.652 9.929 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 47.289 38.824 10.409 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 48.152 40.027 10.094 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 40.670 62.259 -15.492 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 41.243 62.831 -14.983 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 40.020 61.948 -14.863 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 25.483 95.905 17.918 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 26.166 95.351 18.297 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 24.749 95.833 18.529 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 41.156 18.565 43.101 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 41.304 19.071 42.302 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 40.743 17.756 42.799 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 54.515 23.904 12.138 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 54.155 24.074 13.008 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 54.864 24.749 11.853 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 56.484 78.049 37.993 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 57.238 77.484 38.162 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 56.346 77.988 37.048 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 79.742 21.347 -17.781 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 79.563 22.285 -17.843 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 80.289 21.258 -17.001 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 69.651 92.349 1.733 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 68.885 92.851 1.455 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 69.517 92.204 2.669 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 59.809 30.016 4.429 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 59.657 30.958 4.497 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 59.828 29.843 3.487 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 23.174 64.524 56.048 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 23.897 63.942 55.812 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 23.541 65.405 55.971 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 84.641 42.075 -6.292 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 83.824 42.237 -6.763 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 84.740 41.123 -6.305 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 55.506 68.893 -0.200 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 54.625 68.700 0.120 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 56.089 68.510 0.456 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 75.593 33.716 43.590 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 74.930 33.026 43.577 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 76.279 33.379 44.167 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 58.713 55.610 21.123 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 57.865 55.296 20.808 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 58.600 56.557 21.211 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 28.081 54.375 40.637 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 27.324 54.684 40.139 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 27.760 53.605 41.107 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 38.738 51.315 46.031 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 39.312 51.580 46.749 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 39.107 51.744 45.258 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 41.200 19.965 -4.076 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 41.443 20.863 -4.304 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 41.161 19.963 -3.120 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 24.016 29.610 -17.009 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 24.498 29.646 -17.835 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 23.127 29.360 -17.261 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 77.617 34.407 33.931 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 77.069 34.015 33.251 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 77.425 33.896 34.717 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 81.485 48.316 21.944 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 81.924 47.576 22.362 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 80.599 48.307 22.309 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 21.587 78.784 3.138 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 22.165 79.532 2.987 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 21.060 78.723 2.341 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 83.236 31.009 4.648 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 83.857 30.301 4.477 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 83.472 31.692 4.019 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 37.612 32.355 50.015 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 36.761 32.791 49.982 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 37.413 31.428 49.883 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 27.173 25.873 25.083 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 26.407 25.392 24.770 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 27.105 26.732 24.667 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 27.606 77.699 12.254 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 28.113 78.044 12.990 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 26.829 77.313 12.659 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 60.756 7.659 16.508 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 61.521 7.322 16.975 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 61.049 7.750 15.602 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 75.350 17.730 -16.371 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 74.862 17.009 -16.769 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 75.047 18.510 -16.836 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 73.753 34.518 -4.110 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 74.035 35.307 -4.573 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 73.444 34.836 -3.261 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 62.401 61.485 28.532 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 62.589 61.571 27.598 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 61.476 61.715 28.613 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 59.872 34.738 -6.955 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 60.759 34.379 -6.971 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 59.923 35.478 -6.351 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 62.987 34.185 -16.657 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 62.235 34.745 -16.849 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 62.677 33.593 -15.972 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 74.110 52.947 7.125 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 73.392 53.577 7.071 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 74.481 53.080 7.998 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 65.212 38.148 -9.873 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 64.414 38.499 -9.478 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 65.640 38.907 -10.268 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 38.879 78.397 -2.990 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 39.254 77.529 -2.840 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 39.589 78.899 -3.391 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 28.807 62.230 11.951 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 28.624 62.948 12.557 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 28.253 61.511 12.257 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 85.114 68.636 -15.000 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 84.213 68.910 -14.828 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 85.028 67.886 -15.589 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 82.483 77.013 22.591 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 82.277 77.555 23.353 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 83.159 76.411 22.900 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 81.374 54.017 59.148 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 80.891 54.159 59.962 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 81.830 54.844 58.993 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 72.554 55.089 26.047 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 71.693 55.476 25.888 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 72.841 54.779 25.188 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 44.221 41.096 53.759 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 44.454 41.916 53.323 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 43.757 40.592 53.091 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 49.817 1.005 43.949 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 49.535 0.102 43.805 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 50.312 1.230 43.161 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 38.755 30.141 -14.676 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 37.801 30.155 -14.755 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 38.945 30.755 -13.966 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 48.390 37.790 20.864 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 48.919 37.485 20.128 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 48.733 38.662 21.062 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 75.712 64.902 -3.972 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 75.485 64.924 -3.042 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 75.175 65.588 -4.367 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 84.744 54.229 23.522 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 84.154 54.983 23.495 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 84.292 53.553 23.017 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 36.476 59.401 -13.570 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 36.706 58.814 -12.850 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 37.007 59.096 -14.307 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 88.970 93.244 8.900 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 89.032 93.266 9.855 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 89.450 94.019 8.611 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 72.097 6.350 7.984 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 72.732 6.352 8.701 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 71.422 6.971 8.260 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 90.245 29.062 26.619 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 89.924 28.531 25.890 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 90.776 29.743 26.205 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 72.627 50.242 9.173 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 72.352 49.334 9.048 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 71.829 50.754 9.048 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 23.224 34.420 59.453 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 23.353 34.119 58.554 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 24.009 34.931 59.650 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 34.510 41.653 39.025 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 34.825 41.896 38.155 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 35.182 41.979 39.623 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 78.932 70.725 7.213 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 78.792 70.772 6.267 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 78.118 70.356 7.557 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 48.339 85.679 20.257 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 47.453 85.328 20.351 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 48.913 84.930 20.418 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 26.866 11.009 3.352 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 27.526 11.490 3.852 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 26.678 11.571 2.601 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 29.121 67.740 7.474 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 28.172 67.866 7.483 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 29.477 68.572 7.786 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 49.431 45.982 -12.560 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 49.591 46.869 -12.237 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 50.301 45.586 -12.615 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 46.446 93.918 5.926 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 46.855 93.370 5.256 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 45.893 93.316 6.423 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 53.536 8.138 40.238 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 54.274 8.370 39.676 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 53.552 7.181 40.273 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 31.700 10.087 -1.366 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 32.515 9.584 -1.370 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 31.753 10.637 -2.148 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 28.881 21.684 -9.819 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 28.499 22.281 -9.175 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 29.028 22.229 -10.592 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 68.093 66.818 -9.136 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 67.617 65.990 -9.208 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 67.453 67.432 -8.775 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 82.588 36.036 11.683 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 82.523 35.272 12.257 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 81.692 36.368 11.624 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 52.787 80.570 13.920 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 52.056 80.902 13.400 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 53.517 80.519 13.302 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 49.284 24.416 -14.653 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 48.695 23.781 -14.245 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 49.923 23.881 -15.125 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 70.308 52.008 3.702 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 70.411 52.892 4.056 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 70.802 51.450 4.302 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 37.300 2.863 -16.074 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 37.034 3.442 -16.789 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 37.484 3.454 -15.344 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 72.157 65.853 29.685 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 71.374 65.936 30.230 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 71.820 65.681 28.806 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 44.240 79.737 34.856 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 44.836 79.121 34.431 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 43.656 80.029 34.156 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 22.043 14.373 34.658 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 22.382 13.646 35.180 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 22.197 15.148 35.198 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 61.425 75.560 38.409 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 61.142 75.068 39.179 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 61.514 74.900 37.722 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 71.386 55.238 48.412 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 71.741 55.882 49.025 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 70.739 54.752 48.924 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 36.372 77.409 67.198 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 36.710 76.558 66.916 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 35.496 77.458 66.817 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 51.479 93.681 11.804 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 51.642 92.936 12.383 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 52.300 94.173 11.811 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 64.469 80.047 59.742 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 65.298 80.471 59.966 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 64.103 80.590 59.044 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 84.316 71.792 50.052 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 84.567 71.800 50.976 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 84.557 70.918 49.745 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 88.897 76.038 52.074 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 89.526 75.948 52.790 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 89.421 75.937 51.279 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 60.223 41.058 53.174 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 59.347 40.891 53.522 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 60.570 41.761 53.723 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 25.039 46.457 30.697 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 25.507 46.941 30.017 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 24.203 46.914 30.785 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 25.699 30.528 35.523 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 25.080 30.016 36.044 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 25.176 30.875 34.800 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 45.508 42.639 -14.248 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 45.664 43.485 -13.830 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 45.521 42.009 -13.527 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 44.485 74.868 55.902 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 43.868 75.556 55.651 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 44.987 75.248 56.624 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 62.996 65.336 25.274 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 62.190 64.836 25.144 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 62.814 66.191 24.884 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 44.791 44.902 58.212 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 44.348 45.538 58.774 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 45.429 45.419 57.720 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 23.763 42.491 47.674 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 23.465 42.567 48.580 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 24.704 42.664 47.716 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 81.318 68.377 54.449 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 81.546 68.879 53.667 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 80.360 68.365 54.456 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 82.218 68.403 -14.806 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 81.313 68.210 -14.561 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 82.274 68.159 -15.730 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 36.782 49.145 7.633 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 35.986 48.805 7.224 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 36.511 49.391 8.517 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 24.463 29.965 32.786 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 24.480 29.073 33.135 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 24.565 29.855 31.841 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 69.060 24.535 26.873 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 69.806 24.949 26.441 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 68.472 25.260 27.084 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 67.070 18.122 54.607 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 66.257 17.759 54.960 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 66.827 18.459 53.744 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 90.614 44.138 5.855 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 90.238 44.095 4.976 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 90.036 43.595 6.391 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 66.313 71.617 44.874 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 66.074 71.311 45.749 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 66.800 72.427 45.028 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 66.586 22.693 -6.154 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 67.353 22.898 -6.688 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 66.946 22.310 -5.354 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 82.678 67.475 11.831 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 82.474 66.646 12.265 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 83.132 67.220 11.028 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 44.002 84.852 44.181 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 43.557 85.116 44.987 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 43.983 85.634 43.629 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 32.531 67.764 -12.459 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 32.372 68.695 -12.615 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 33.202 67.745 -11.777 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 51.151 0.476 49.775 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 51.778 0.097 49.158 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 51.226 -0.070 50.558 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 77.382 17.225 10.005 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 76.484 16.957 10.203 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 77.311 17.710 9.183 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 53.757 11.091 10.137 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 53.089 11.607 9.686 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 53.730 11.403 11.042 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 23.416 89.130 22.332 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 23.968 88.369 22.152 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 22.875 89.225 21.548 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 61.702 78.606 4.268 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 62.240 77.879 4.579 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 61.086 78.203 3.655 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 27.490 82.840 7.524 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 26.998 82.344 8.179 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 27.875 82.171 6.957 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 29.625 83.336 63.963 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 29.800 82.451 64.283 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 28.670 83.406 63.963 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 70.068 75.636 -11.298 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 69.910 76.454 -10.826 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 69.919 74.951 -10.646 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 82.089 50.549 15.221 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 81.952 50.586 14.274 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 81.364 50.017 15.548 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 88.499 85.736 34.767 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 88.226 85.015 34.200 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 88.545 86.495 34.185 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 75.803 15.822 61.721 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 76.450 15.435 62.310 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 74.976 15.760 62.199 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 63.277 5.334 -11.630 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 63.757 4.718 -12.183 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 62.858 4.786 -10.967 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 54.834 12.407 61.988 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 54.471 13.157 61.516 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 54.299 11.665 61.707 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 67.460 80.260 31.968 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 67.458 81.158 32.300 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 66.534 80.050 31.840 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 20.871 88.445 9.309 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 20.733 87.608 9.752 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 20.941 89.084 10.018 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 70.840 66.649 8.168 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 70.107 66.280 8.661 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 70.545 66.642 7.258 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 29.229 94.617 39.174 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 29.179 95.068 40.017 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 29.911 95.085 38.692 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 81.469 65.233 1.049 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 81.042 64.434 1.358 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 82.096 64.931 0.392 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 70.762 75.599 -0.031 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 70.316 76.119 0.636 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 70.397 75.908 -0.861 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 47.503 84.494 36.097 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 46.888 83.834 35.777 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 47.627 84.278 37.021 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 55.594 26.737 22.432 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 56.475 26.685 22.803 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 55.410 27.675 22.381 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 52.497 47.189 -18.527 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 53.308 47.693 -18.601 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 51.910 47.753 -18.024 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 56.757 90.347 50.902 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 57.457 89.696 50.864 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 55.980 89.883 50.589 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 21.058 96.528 15.116 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 21.892 96.135 15.370 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 21.295 97.384 14.759 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 55.401 4.959 19.225 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 54.657 5.514 18.991 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 55.173 4.600 20.082 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 67.188 52.515 11.942 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 66.986 52.829 12.824 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 66.337 52.284 11.570 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 28.936 72.291 -10.919 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 28.954 71.513 -10.362 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 28.018 72.562 -10.923 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 36.384 78.097 48.030 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 36.980 78.053 47.282 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 36.617 78.912 48.475 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 64.507 64.562 33.883 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 64.357 64.307 34.794 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 63.675 64.386 33.445 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 47.800 86.046 54.928 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 47.889 85.112 54.739 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 46.972 86.296 54.516 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 21.642 46.549 56.266 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 21.188 46.368 55.443 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 21.003 46.336 56.945 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 21.550 54.518 13.405 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 22.184 55.097 13.829 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 20.711 54.968 13.504 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 35.762 88.398 -15.317 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 36.680 88.593 -15.503 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 35.706 88.396 -14.361 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 46.822 33.710 57.717 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 47.131 32.840 57.966 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 46.097 33.888 58.317 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 69.035 44.413 36.954 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 68.679 45.275 36.736 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 68.947 44.351 37.905 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 82.886 6.607 -7.897 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 82.979 5.946 -7.211 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 82.210 6.257 -8.477 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 87.042 93.893 27.604 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 86.850 94.089 26.687 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 86.209 93.589 27.965 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 58.552 49.610 50.662 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 59.165 49.295 49.998 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 59.033 49.539 51.487 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 83.428 48.925 -15.309 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 82.473 48.874 -15.258 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 83.616 48.976 -16.246 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 42.558 29.788 2.026 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 43.274 30.397 2.209 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 42.084 29.718 2.854 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 63.988 65.086 64.777 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 64.158 66.009 64.968 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 63.616 65.088 63.895 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 63.721 25.823 11.115 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 63.956 26.199 11.964 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 62.802 26.060 10.994 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 24.419 29.950 49.253 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 23.580 30.280 48.932 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 25.063 30.283 48.628 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 71.920 91.859 32.165 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 71.013 91.863 31.860 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 72.021 92.690 32.629 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 32.689 24.604 7.410 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 32.787 25.466 7.006 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 33.268 24.628 8.171 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 35.816 9.840 -2.694 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 35.625 10.005 -3.618 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 35.064 9.338 -2.380 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 68.500 93.933 21.863 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 68.498 93.178 21.276 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 68.372 94.686 21.287 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 42.973 78.435 -1.787 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 42.266 79.079 -1.829 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 42.673 77.790 -1.146 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 77.445 33.140 36.522 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 78.049 33.435 37.204 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 77.076 32.326 36.864 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 22.433 62.728 21.031 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 21.486 62.867 21.006 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 22.541 61.894 21.487 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 72.598 35.050 41.102 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 72.132 34.518 40.457 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 73.376 35.361 40.639 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 69.114 24.828 -17.723 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 69.992 24.455 -17.801 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 68.527 24.115 -17.976 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 49.904 92.212 27.450 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 49.325 91.451 27.478 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 49.552 92.755 26.744 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 63.171 86.353 31.241 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 62.266 86.357 30.931 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 63.682 86.054 30.489 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 69.485 81.053 27.108 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 70.296 80.907 26.621 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 69.562 80.488 27.877 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 80.390 49.099 44.090 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 79.855 49.874 43.917 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 79.790 48.362 43.972 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 33.044 76.770 -8.286 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 32.106 76.856 -8.116 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 33.103 76.122 -8.988 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 50.073 69.735 10.580 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 50.357 68.842 10.777 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 50.501 70.275 11.244 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 83.099 17.343 56.440 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 83.331 17.775 55.618 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 82.161 17.168 56.363 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 82.298 73.213 42.253 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 82.460 72.888 41.367 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 83.093 73.695 42.481 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 75.231 47.387 1.406 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 75.683 48.173 1.100 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 75.244 47.459 2.361 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 51.678 48.385 40.687 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 52.014 47.492 40.763 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 50.762 48.275 40.431 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 69.389 64.075 30.391 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 68.462 64.104 30.627 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 69.395 64.113 29.435 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 66.162 47.086 7.232 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 65.836 46.243 7.547 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 66.153 47.650 8.005 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 89.074 26.810 53.474 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 88.910 25.867 53.464 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 89.412 27.004 52.600 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 27.480 90.509 24.495 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 26.752 91.000 24.116 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 27.069 89.753 24.913 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 21.233 73.880 26.571 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 21.241 73.046 26.102 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 20.437 74.318 26.269 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 36.683 91.866 59.814 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 36.772 90.948 60.068 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 35.768 91.955 59.549 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 47.928 53.402 64.308 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 47.567 53.737 65.128 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 48.704 53.939 64.150 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 79.113 45.551 60.766 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 78.683 45.207 59.983 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 78.708 46.408 60.905 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 21.613 88.694 46.919 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 22.206 87.989 47.181 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 22.155 89.483 46.939 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 84.117 30.697 -3.498 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 84.024 31.337 -2.792 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 85.017 30.807 -3.805 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 63.680 5.000 34.321 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 63.365 4.098 34.262 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 62.985 5.524 33.921 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 74.824 48.008 4.158 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 74.503 47.199 4.557 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 74.626 48.688 4.802 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 60.192 89.505 51.662 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 59.478 88.939 51.370 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 60.724 89.646 50.879 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 58.227 24.242 57.956 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 57.423 24.743 58.096 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 58.130 23.874 57.078 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 45.037 9.991 48.619 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 44.253 10.077 49.161 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 44.703 9.839 47.735 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 22.873 83.240 9.018 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 22.713 82.310 9.174 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 22.142 83.520 8.466 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 77.167 58.103 -7.806 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 77.404 57.506 -8.515 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 76.546 58.713 -8.203 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 62.846 60.963 54.925 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 62.904 61.919 54.906 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 62.403 60.733 54.108 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 20.525 50.230 -14.097 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 21.067 50.267 -14.885 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 20.125 49.361 -14.121 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 56.490 14.319 12.763 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 56.305 14.986 12.101 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 56.500 14.799 13.591 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 31.512 80.358 -6.456 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 31.059 80.265 -7.294 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 31.059 79.752 -5.869 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 70.427 61.782 50.038 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 69.944 61.348 50.741 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 70.657 61.077 49.434 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 32.801 4.251 30.825 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 33.517 3.956 30.263 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 32.941 3.793 31.653 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 35.681 77.319 33.863 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 36.225 76.643 34.267 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 35.462 76.967 33.000 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 84.021 80.999 66.727 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 84.481 80.399 67.314 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 83.301 81.346 67.253 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 31.420 19.359 12.193 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 31.254 18.618 12.776 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 31.468 18.972 11.319 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 51.727 77.215 -4.102 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 52.256 76.597 -3.598 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 52.247 77.392 -4.886 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 54.074 77.129 62.050 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 54.349 77.892 62.559 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 53.777 76.498 62.705 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 59.403 58.777 -7.310 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 59.431 58.056 -6.681 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 58.779 58.489 -7.977 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 55.700 42.264 55.128 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 54.855 42.466 54.727 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 56.279 42.081 54.389 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 62.338 20.283 2.571 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 61.646 20.073 3.197 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 62.347 21.240 2.536 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 89.420 31.636 62.728 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 89.275 30.922 63.349 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 88.987 32.391 63.126 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 76.665 5.463 -12.136 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 76.350 4.564 -12.227 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 77.467 5.491 -12.658 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 79.162 86.243 51.122 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 79.041 86.182 52.070 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 79.639 87.062 50.993 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 22.390 32.261 50.825 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 22.358 33.177 51.100 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 23.298 32.125 50.552 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 23.584 39.055 25.934 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 24.507 38.869 25.765 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 23.132 38.771 25.139 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 78.971 35.291 52.143 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 79.031 34.531 51.564 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 78.274 35.827 51.764 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 31.532 86.009 20.481 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 31.296 85.781 19.581 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 32.319 85.495 20.660 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 43.572 96.442 62.792 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 44.131 96.178 62.062 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 42.883 95.778 62.820 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 87.211 66.673 -4.455 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 86.989 67.531 -4.091 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 87.251 66.093 -3.694 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 67.169 34.972 22.957 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 67.764 35.110 22.220 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 66.342 35.362 22.673 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 66.622 26.030 19.992 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 67.177 25.592 20.638 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 65.959 26.482 20.514 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 84.455 90.038 18.871 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 84.123 89.393 19.495 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 83.872 90.791 18.970 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 71.828 5.945 -13.583 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 72.175 6.740 -13.179 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 72.377 5.809 -14.355 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 33.318 16.109 11.805 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 32.983 16.868 12.282 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 34.079 16.442 11.329 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 55.338 0.588 36.870 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 54.611 0.493 36.255 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 55.229 -0.139 37.484 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 39.738 47.337 49.757 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 39.350 47.998 50.329 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 40.682 47.434 49.884 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 30.179 81.492 43.624 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 30.839 80.800 43.577 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 30.677 82.285 43.822 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 46.584 93.628 26.536 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 46.358 92.970 27.193 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 46.845 93.120 25.767 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 55.313 63.749 -14.098 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 54.914 62.955 -13.743 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 55.670 64.201 -13.333 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 51.795 4.945 42.963 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 52.641 4.860 42.522 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 52.011 5.280 43.834 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 31.343 42.555 9.530 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 31.266 41.904 10.228 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 31.479 43.384 9.989 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 86.406 63.672 7.621 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 85.901 63.017 7.139 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 87.292 63.310 7.660 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 62.235 50.175 67.031 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 62.381 50.225 67.976 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 61.890 51.036 66.796 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 48.466 23.761 -4.830 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 47.612 23.363 -4.994 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 48.289 24.457 -4.197 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 70.130 85.336 2.938 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 70.259 84.987 3.820 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 70.135 84.563 2.372 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 68.471 14.770 43.198 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 67.533 14.687 43.027 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 68.773 15.427 42.572 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 59.002 34.026 28.021 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 59.878 33.970 27.639 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 58.425 34.185 27.274 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 70.421 2.543 34.329 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 70.982 3.306 34.467 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 69.618 2.900 33.950 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 57.280 93.856 64.533 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 56.728 93.148 64.866 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 57.155 94.571 65.156 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 51.455 20.710 -8.772 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 50.743 20.849 -9.396 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 51.245 19.877 -8.350 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 55.041 82.269 -3.319 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 54.531 81.770 -3.957 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 55.689 82.740 -3.844 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 50.378 13.229 1.062 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 49.428 13.118 1.042 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 50.523 13.943 1.684 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 22.627 33.782 22.429 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 22.086 33.567 21.669 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 22.954 34.663 22.249 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 41.377 80.575 40.235 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 42.222 80.506 39.792 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 40.878 79.822 39.919 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 73.795 93.872 1.644 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 74.224 94.718 1.775 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 73.897 93.420 2.482 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 84.761 45.902 -12.313 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 84.957 46.617 -12.917 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 84.779 45.115 -12.858 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 81.901 77.578 -0.942 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 81.652 77.788 -1.842 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 81.521 78.282 -0.417 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 63.597 6.226 39.949 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 62.967 6.783 40.407 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 63.638 5.427 40.474 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 37.980 15.586 39.026 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 37.174 16.058 38.817 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 38.235 15.169 38.203 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 21.553 73.477 57.999 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 22.061 72.707 57.744 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 21.623 73.506 58.953 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 27.156 89.067 66.709 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 26.604 89.549 66.093 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 26.656 89.062 67.525 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 52.124 20.101 27.132 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 51.406 20.470 26.617 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 52.574 20.863 27.496 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 22.328 11.616 56.164 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 21.377 11.585 56.275 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 22.637 12.145 56.900 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 63.093 8.029 -17.215 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 63.075 8.372 -18.109 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 64.024 7.966 -17.001 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 31.320 -0.236 -0.841 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 30.738 -0.263 -0.082 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 31.356 0.689 -1.083 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 48.719 49.113 37.087 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 48.674 50.063 36.977 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 49.655 48.924 37.159 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 31.682 92.603 -9.097 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 31.102 92.320 -9.803 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 32.136 91.805 -8.825 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 20.949 1.448 -13.246 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 21.010 2.309 -12.833 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 21.034 0.828 -12.522 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 23.567 2.160 13.257 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 23.984 2.346 14.099 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 23.750 1.234 13.098 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 71.594 5.752 35.985 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 71.943 4.862 36.035 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 71.037 5.836 36.758 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 42.266 17.504 60.321 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 43.117 17.464 59.884 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 42.348 16.904 61.062 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 63.633 45.203 14.545 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 64.527 45.220 14.886 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 63.097 45.542 15.262 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 22.467 93.782 60.452 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 23.187 93.396 60.951 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 22.895 94.353 59.815 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 51.238 7.625 0.731 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 50.990 8.548 0.790 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 52.068 7.569 1.204 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 88.543 63.363 27.400 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 87.796 62.765 27.378 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 89.298 62.798 27.567 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 22.059 25.590 46.565 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 22.437 25.357 45.717 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 21.385 24.928 46.719 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 77.883 24.226 31.003 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 78.282 23.400 31.275 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 77.471 24.567 31.796 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 31.927 25.287 47.641 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 32.503 25.040 46.918 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 31.744 26.216 47.496 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 63.355 35.534 -12.101 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 63.470 34.734 -11.590 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 62.880 36.126 -11.518 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 73.663 61.915 -12.117 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 73.943 62.402 -12.892 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 72.763 61.654 -12.310 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 56.802 84.264 17.228 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 56.931 85.191 17.025 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 55.853 84.166 17.311 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 70.807 77.676 64.624 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 70.631 78.334 65.296 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 69.942 77.349 64.376 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 27.186 54.880 28.205 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 26.820 54.034 27.948 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 27.904 55.028 27.589 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 58.359 16.581 41.507 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 57.941 16.184 40.744 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 57.810 16.317 42.246 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 44.731 14.952 -0.364 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 45.658 14.878 -0.590 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 44.525 14.129 0.080 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 57.062 66.177 60.422 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 57.189 67.062 60.765 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 56.114 66.094 60.320 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 76.854 13.738 48.606 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 76.002 13.854 49.026 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 76.682 13.865 47.673 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 68.683 25.289 66.371 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 68.503 24.397 66.669 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 67.991 25.818 66.769 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 73.765 85.492 10.746 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 73.677 85.209 11.656 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 73.554 86.426 10.764 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 77.526 60.849 0.817 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 76.577 60.787 0.709 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 77.884 60.447 0.025 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 26.859 76.294 -5.106 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 26.739 75.730 -4.341 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 27.742 76.094 -5.415 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 74.460 25.389 22.672 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 74.761 25.670 23.536 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 74.683 24.459 22.631 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 62.238 47.334 9.107 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 61.730 47.074 9.876 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 62.243 48.291 9.135 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 73.717 40.227 37.722 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 74.153 40.112 36.877 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 73.557 41.169 37.782 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 84.499 32.304 15.257 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 84.261 31.727 15.982 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 85.455 32.341 15.283 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 71.152 85.947 16.090 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 70.926 85.812 17.010 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 70.623 85.304 15.617 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 88.647 54.950 42.698 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 88.744 55.516 43.464 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 89.497 54.520 42.609 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 34.212 7.162 22.871 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 35.077 7.545 23.016 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 33.689 7.879 22.512 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 88.623 55.368 66.887 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 89.240 55.792 67.483 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 88.822 55.745 66.029 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 87.769 80.806 -4.662 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 87.741 80.461 -3.769 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 87.313 80.148 -5.187 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 28.854 95.577 12.609 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 28.605 95.340 13.502 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 28.107 96.074 12.275 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 20.745 70.941 7.560 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 20.879 71.713 7.009 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 20.441 70.265 6.955 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 43.946 14.300 36.112 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 44.567 13.912 36.729 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 43.887 15.218 36.377 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 75.506 5.575 -4.236 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 76.136 6.032 -3.679 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 75.582 4.656 -3.980 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 59.473 78.019 26.137 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 59.876 77.358 25.575 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 58.634 78.211 25.718 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 44.445 3.135 56.049 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 45.382 2.954 55.978 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 44.271 3.137 56.990 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 89.575 38.253 12.565 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 89.668 38.555 11.661 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 88.679 37.918 12.615 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 34.877 13.057 -3.105 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 35.054 13.048 -4.046 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 35.026 13.965 -2.841 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 80.400 95.389 36.373 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 79.525 95.055 36.573 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 80.242 96.188 35.871 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 23.349 12.894 61.454 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 24.197 12.547 61.728 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 22.842 12.957 62.263 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 35.219 23.149 -7.021 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 35.608 22.679 -7.758 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 35.733 22.874 -6.262 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 37.068 62.286 -16.823 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 36.795 62.711 -16.010 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 36.444 62.596 -17.478 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 76.145 53.734 29.471 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 76.952 54.241 29.378 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 75.756 53.740 28.596 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 61.853 22.556 -9.935 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 61.432 23.415 -9.916 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 62.077 22.378 -9.022 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 30.345 59.834 33.754 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 30.207 60.781 33.716 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 30.635 59.598 32.873 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 89.513 20.698 5.217 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 89.219 19.821 5.462 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 90.406 20.756 5.558 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 77.811 22.747 11.561 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 77.463 23.596 11.833 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 77.416 22.120 12.167 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 33.346 65.091 36.238 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 33.966 64.366 36.319 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 33.741 65.672 35.587 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 70.744 26.348 50.163 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 69.852 26.338 49.816 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 70.860 27.235 50.503 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 22.243 84.329 -0.842 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 22.859 83.712 -0.447 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 22.643 85.188 -0.704 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 22.281 6.144 8.912 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 22.432 6.403 9.821 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 22.451 5.203 8.899 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 85.769 18.658 -12.304 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 86.228 18.323 -11.533 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 84.844 18.645 -12.057 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 87.743 9.249 65.641 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 88.012 9.739 64.865 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 88.564 8.995 66.062 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 68.956 92.076 42.012 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 69.583 92.492 42.602 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 69.452 91.376 41.588 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 70.995 68.569 10.105 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 70.954 67.969 9.361 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 70.802 69.429 9.730 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 47.227 29.076 3.746 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 46.306 29.115 3.489 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 47.208 29.038 4.702 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 41.785 48.964 -7.686 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 41.757 48.746 -6.754 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 42.563 49.514 -7.781 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 34.246 64.176 53.691 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 34.786 64.956 53.822 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 33.905 64.268 52.801 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 26.875 29.171 63.327 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 26.216 29.350 63.997 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 27.179 30.037 63.053 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 63.896 16.692 20.814 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 64.398 17.250 21.408 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 64.203 16.936 19.940 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 71.898 85.224 54.802 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 72.337 84.541 54.294 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 71.642 85.879 54.152 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 66.357 45.854 25.301 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 66.048 46.419 24.593 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 65.572 45.664 25.816 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 73.004 15.493 8.734 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 72.878 15.662 9.668 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 72.923 16.353 8.322 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 36.209 0.620 -17.677 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 36.586 0.246 -16.881 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 36.922 1.128 -18.064 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 35.838 16.781 37.522 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 36.325 16.108 37.045 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 36.183 17.609 37.188 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 73.255 63.176 8.676 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 73.568 62.566 9.344 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 72.437 63.523 9.031 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 42.482 62.868 4.234 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 42.556 62.212 4.927 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 42.487 63.707 4.696 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 22.479 43.623 7.238 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 21.605 43.558 6.854 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 22.748 44.527 7.070 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 71.429 1.961 40.937 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 71.492 2.104 39.992 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 70.690 2.504 41.213 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 74.669 37.068 28.817 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 74.511 36.402 28.147 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 75.135 37.765 28.356 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 36.498 58.363 40.076 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 37.356 58.592 39.718 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 35.903 58.424 39.329 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 33.322 79.462 35.952 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 34.093 78.986 36.261 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 33.115 80.070 36.662 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 71.336 12.895 -15.978 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 72.107 12.409 -16.271 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 71.564 13.197 -15.099 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 57.101 22.521 34.447 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 57.763 22.395 33.766 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 56.270 22.547 33.972 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 78.292 15.025 -10.860 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 77.407 14.966 -10.500 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 78.212 14.682 -11.751 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 54.032 90.083 6.229 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 53.456 89.983 6.987 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 54.905 90.202 6.605 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 44.478 13.550 15.281 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 45.434 13.608 15.272 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 44.182 14.444 15.114 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 35.006 95.703 26.702 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 34.819 95.785 25.766 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 34.446 96.360 27.117 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 28.806 74.595 44.309 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 28.163 73.959 43.996 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 29.614 74.091 44.407 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 70.674 25.197 61.227 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 69.945 24.587 61.342 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 71.367 24.853 61.791 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 79.823 64.606 45.030 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 80.479 63.970 44.744 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 79.178 64.619 44.322 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 50.337 5.011 7.562 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 49.469 5.403 7.655 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 50.799 5.259 8.362 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 75.519 6.943 0.508 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 76.353 6.606 0.181 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 74.967 6.167 0.605 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 73.595 90.346 36.509 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 72.959 90.036 35.864 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 73.064 90.610 37.261 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 76.453 41.216 31.063 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 75.526 41.147 30.836 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 76.867 41.566 30.273 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 26.736 19.120 -17.904 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 27.327 18.368 -17.870 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 26.058 18.923 -17.258 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 84.294 83.373 6.930 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 84.627 82.481 6.826 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 83.581 83.291 7.564 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 87.585 34.690 45.243 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 87.328 35.092 44.414 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 88.354 35.186 45.524 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 66.791 44.775 12.924 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 66.622 44.899 13.858 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 66.153 44.115 12.651 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 42.128 7.489 64.728 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 41.827 8.397 64.702 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 42.717 7.410 63.978 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 38.150 7.666 -16.235 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 38.628 8.323 -15.729 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 38.745 7.432 -16.947 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 23.769 66.827 13.003 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 24.604 66.992 12.564 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 23.424 66.043 12.575 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 77.732 52.354 10.725 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 77.463 52.906 11.459 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 77.889 51.494 11.116 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 76.167 69.144 51.736 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 75.858 68.275 51.990 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 77.021 68.988 51.334 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 69.013 54.163 31.909 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 68.730 54.867 31.325 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 69.485 53.555 31.340 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 73.779 53.776 28.005 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 73.463 54.425 27.377 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 72.987 53.455 28.437 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 53.036 10.172 64.491 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 53.455 9.965 63.656 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 53.153 9.383 65.021 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 56.238 34.659 59.337 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 56.218 35.432 58.774 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 55.454 34.738 59.882 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 25.694 69.938 32.333 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 24.853 69.529 32.538 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 25.564 70.339 31.474 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 72.019 26.503 58.826 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 71.537 26.068 59.530 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 71.826 25.982 58.047 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 64.901 83.396 -2.911 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 65.830 83.455 -3.134 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 64.559 82.713 -3.488 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 20.934 32.344 17.052 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 21.016 32.214 16.108 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 19.999 32.247 17.228 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 66.271 93.353 53.539 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 66.925 93.086 54.185 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 65.805 92.545 53.322 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 36.897 45.026 -8.785 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 37.289 45.382 -7.988 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 36.778 45.787 -9.354 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 69.116 36.827 -12.538 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 69.395 36.006 -12.943 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 69.926 37.324 -12.419 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 63.877 89.419 47.524 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 64.090 89.493 46.593 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 64.503 89.998 47.959 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 37.284 14.525 0.477 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 36.494 14.005 0.628 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 37.388 15.039 1.278 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 48.793 48.565 9.067 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 48.977 47.701 8.698 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 49.240 48.565 9.914 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 86.283 30.069 4.438 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 86.900 29.846 5.135 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 86.617 30.889 4.074 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 84.296 94.212 40.456 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 85.250 94.233 40.534 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 83.983 94.156 41.359 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 71.501 3.776 -6.944 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 70.559 3.942 -6.933 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 71.623 3.042 -6.342 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 60.534 25.918 19.760 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 60.482 26.588 20.442 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 60.244 25.115 20.191 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 69.576 25.873 53.010 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 69.914 25.691 52.133 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 69.184 26.743 52.940 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 70.382 23.193 1.744 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 70.145 23.792 1.036 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 70.930 23.717 2.328 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 84.578 53.037 13.087 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 84.259 53.130 13.984 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 85.290 53.673 13.018 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 43.680 22.282 45.429 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 43.969 23.192 45.372 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 42.735 22.339 45.572 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 61.004 18.971 49.236 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 61.337 18.565 48.435 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 61.254 19.892 49.160 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 35.569 44.528 4.222 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 35.600 45.331 3.702 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 36.440 44.461 4.613 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 25.447 47.496 9.930 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 24.497 47.419 9.843 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 25.683 48.216 9.345 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 85.280 52.284 44.276 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 85.803 52.904 44.784 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 85.509 51.427 44.635 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 88.927 39.983 24.338 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 89.743 40.482 24.328 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 88.308 40.523 23.846 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 53.386 82.376 54.534 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 52.680 82.451 53.891 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 52.989 82.655 55.359 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 86.076 95.122 51.440 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 86.785 94.532 51.187 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 86.077 95.102 52.397 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 68.186 49.163 5.329 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 67.709 49.986 5.437 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 67.729 48.712 4.619 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 66.911 86.121 3.869 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 66.061 85.865 4.228 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 66.903 85.786 2.973 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 61.167 6.200 -17.421 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 60.904 5.961 -16.533 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 61.889 6.817 -17.300 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 31.395 28.490 52.982 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 30.469 28.613 52.772 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 31.538 29.027 53.761 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 38.033 42.449 11.016 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 38.871 42.128 10.683 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 37.543 42.700 10.233 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 49.738 35.206 40.187 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 49.921 35.473 39.286 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 50.421 34.568 40.392 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 81.594 89.940 31.611 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 82.200 89.334 31.185 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 81.053 90.279 30.898 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 27.370 63.021 32.610 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 27.755 62.341 32.057 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 27.624 63.843 32.191 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 25.811 81.824 60.151 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 25.983 82.688 59.776 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 25.843 81.227 59.404 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 57.107 25.598 9.142 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 57.409 26.506 9.103 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 56.769 25.495 10.032 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 31.375 38.664 52.670 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 31.157 39.254 51.949 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 32.323 38.744 52.768 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 41.639 44.165 -8.313 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 42.056 44.823 -8.870 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 40.742 44.107 -8.642 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 58.424 32.791 30.317 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 57.492 32.770 30.100 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 58.824 33.301 29.613 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 40.098 88.424 39.119 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 41.055 88.462 39.101 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 39.899 87.537 39.418 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 28.927 63.673 -17.295 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 29.248 63.510 -16.408 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 27.981 63.539 -17.236 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 80.244 55.445 40.785 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 80.572 55.752 41.630 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 80.017 56.246 40.311 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 70.267 14.106 -1.376 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 69.565 14.476 -0.841 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 70.978 14.744 -1.312 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 63.214 53.104 -13.194 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 63.650 53.841 -12.767 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 62.600 52.775 -12.537 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 77.748 27.064 6.205 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 77.850 26.422 6.907 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 76.884 27.448 6.355 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 75.829 77.867 32.288 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 76.251 77.106 32.688 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 76.509 78.541 32.280 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 44.886 5.523 4.680 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 45.281 6.042 5.380 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 44.350 4.873 5.136 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 40.803 21.029 0.966 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 40.344 20.240 1.253 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 41.415 21.222 1.676 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 66.364 86.663 31.384 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 66.749 87.459 31.751 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 65.693 86.979 30.778 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 71.805 37.142 -9.603 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 71.123 37.172 -8.932 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 72.169 36.259 -9.537 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 39.239 7.062 61.293 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 39.594 7.118 62.180 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 38.343 6.749 61.412 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 64.399 15.709 36.821 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 64.321 16.651 36.669 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 64.597 15.343 35.959 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 55.052 22.514 50.630 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 54.536 23.035 50.015 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 55.059 21.634 50.252 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 84.599 5.341 -19.311 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 85.289 5.461 -18.658 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 84.864 5.895 -20.044 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 73.415 69.445 17.591 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 72.618 68.926 17.696 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 73.229 70.025 16.853 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 49.115 56.076 45.914 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 49.372 56.765 45.301 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 48.214 55.863 45.673 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 26.253 65.437 54.942 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 26.206 65.800 55.826 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 27.158 65.139 54.853 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 60.364 6.576 37.971 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 59.460 6.575 38.284 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 60.883 6.831 38.734 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 35.110 67.170 0.052 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 35.284 66.293 -0.292 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 34.931 67.031 0.982 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 62.103 37.791 34.801 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 61.712 38.233 34.048 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 61.852 36.873 34.698 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 19.982 16.117 48.170 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 20.361 15.247 48.047 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 20.711 16.720 48.023 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 41.900 93.284 -6.914 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 41.483 92.808 -6.196 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 41.318 93.148 -7.661 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 76.403 69.919 22.587 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 75.753 70.435 22.109 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 76.353 69.047 22.195 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 45.831 45.305 66.503 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 45.197 44.800 67.013 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 46.039 44.744 65.756 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 65.731 65.167 24.577 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 64.790 65.017 24.668 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 65.900 65.068 23.640 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 67.857 63.652 37.041 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 67.100 63.069 36.976 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 68.211 63.685 36.152 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 69.232 11.361 -9.209 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 69.947 11.338 -8.573 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 68.942 12.274 -9.211 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 59.933 83.148 14.159 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 59.839 82.280 13.766 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 59.102 83.586 13.975 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 28.075 86.627 49.898 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 27.883 85.878 49.333 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 27.431 87.289 49.647 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 36.646 9.014 7.515 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 36.483 8.226 8.032 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 36.061 8.931 6.761 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 50.532 31.597 12.512 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 49.866 31.471 13.189 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 50.121 31.276 11.710 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 69.558 27.945 20.219 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 69.119 28.609 19.689 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 70.468 27.965 19.925 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 71.325 88.667 15.364 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 71.909 89.186 15.918 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 71.380 87.781 15.722 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 34.401 28.537 -16.659 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 35.354 28.542 -16.574 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 34.239 28.792 -17.567 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 45.661 62.960 67.120 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 45.477 63.585 66.419 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 44.799 62.721 67.461 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 79.726 41.878 6.765 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 80.092 41.973 7.645 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 80.047 42.643 6.288 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 41.069 33.596 61.408 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 40.544 34.122 60.805 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 40.442 32.997 61.813 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 77.554 2.770 -14.657 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 76.628 2.749 -14.415 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 78.021 2.635 -13.833 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 37.259 18.948 3.178 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 37.134 18.314 2.472 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 38.162 19.248 3.074 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 84.639 45.421 24.842 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 85.176 45.809 25.532 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 84.032 44.844 25.306 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 45.147 65.716 -15.694 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 44.327 66.042 -16.066 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 45.396 64.988 -16.264 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 34.804 24.427 51.840 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 35.706 24.602 52.109 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 34.296 25.143 52.223 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 48.014 75.747 -9.141 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 47.686 75.090 -8.528 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 47.516 75.596 -9.944 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 32.321 44.480 11.893 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 31.447 44.671 11.552 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 32.834 45.263 11.691 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 76.478 33.536 40.922 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 75.858 32.810 40.850 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 76.281 33.938 41.768 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 83.244 63.422 26.248 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 83.595 62.550 26.429 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 83.901 63.832 25.685 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 74.931 16.327 1.091 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 74.211 15.812 1.453 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 75.719 15.840 1.332 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 80.639 48.299 -9.249 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 79.917 48.577 -9.812 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 80.778 49.036 -8.655 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 36.257 57.752 14.520 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 36.249 57.990 15.447 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 37.095 58.082 14.195 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 20.868 7.687 57.341 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 21.538 7.821 56.670 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 21.148 6.899 57.806 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 84.980 68.362 55.394 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 85.898 68.624 55.317 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 84.935 67.515 54.949 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 78.438 47.537 38.098 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 78.776 47.675 37.213 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 77.759 48.203 38.203 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 40.000 36.396 29.520 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 40.823 36.242 29.986 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 40.268 36.649 28.637 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 53.005 46.523 18.568 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 52.820 47.352 19.010 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 52.246 45.973 18.762 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 47.266 9.974 62.613 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 47.174 9.023 62.665 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 47.508 10.242 63.499 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 63.725 54.442 2.963 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 63.433 53.939 2.203 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 63.514 53.887 3.714 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 47.443 43.863 33.136 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 48.146 43.218 33.057 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 47.083 43.935 32.252 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 60.582 24.886 -10.537 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 60.732 25.285 -9.679 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 59.776 25.295 -10.853 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 78.412 54.152 -0.865 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 78.927 53.995 -1.657 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 77.631 53.611 -0.975 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 29.320 85.458 0.222 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 28.752 84.710 0.038 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 29.808 85.202 1.005 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 90.333 74.806 -19.610 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 89.557 75.360 -19.692 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 90.935 75.315 -19.067 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 27.539 34.885 45.918 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 26.998 34.501 45.229 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 27.409 35.829 45.826 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 49.062 62.498 -8.444 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 48.902 61.928 -7.692 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 48.855 63.377 -8.127 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 52.853 83.870 24.551 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 52.855 83.931 23.595 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 52.586 84.740 24.846 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 31.925 2.478 20.744 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 32.722 2.626 20.234 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 31.854 3.250 21.306 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 22.189 15.462 60.859 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 22.117 15.962 61.672 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 22.502 14.600 61.134 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 77.765 50.957 19.413 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 77.669 50.639 20.311 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 78.526 50.487 19.072 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 78.429 41.017 33.579 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 79.144 40.479 33.239 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 77.644 40.669 33.155 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 73.766 37.604 50.467 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 73.256 36.976 49.956 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 73.963 38.310 49.851 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 67.790 59.836 3.494 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 67.685 59.765 4.443 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 68.489 60.480 3.378 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 79.805 29.768 -12.818 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 80.576 29.440 -12.355 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 79.063 29.419 -12.325 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 75.077 59.705 34.811 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 74.565 60.159 34.142 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 74.539 58.954 35.058 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 69.772 37.338 10.741 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 69.125 37.056 11.388 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 69.325 37.245 9.899 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 75.765 39.366 -17.696 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 76.496 39.100 -18.254 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 76.145 39.436 -16.820 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 83.023 14.269 54.914 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 82.284 14.783 55.243 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 82.679 13.822 54.141 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 86.169 24.104 -17.362 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 86.218 25.039 -17.562 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 86.657 24.008 -16.544 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 60.944 24.526 -0.930 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 61.347 23.667 -0.808 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 60.054 24.334 -1.226 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 85.687 7.921 8.646 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 85.022 8.250 9.252 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 86.437 8.502 8.775 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 23.048 95.945 -5.522 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 22.827 96.868 -5.648 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 22.301 95.582 -5.044 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 34.831 32.985 -2.090 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 35.318 32.841 -1.279 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 35.105 33.854 -2.383 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 88.949 27.479 31.095 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 89.375 28.317 31.277 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 89.661 26.840 31.109 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 61.876 50.507 3.769 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 62.637 50.184 4.252 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 61.943 51.460 3.825 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 76.819 55.257 11.726 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 76.545 56.114 11.400 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 76.000 54.805 11.930 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 34.748 81.676 39.184 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 34.609 80.985 39.831 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 35.666 81.925 39.291 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 48.359 76.011 0.854 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 49.251 75.877 0.534 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 48.455 76.632 1.577 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 60.410 41.465 -15.855 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 60.548 40.568 -16.161 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 61.140 41.960 -16.226 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 64.852 22.602 25.142 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 64.036 22.442 24.669 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 64.602 23.183 25.861 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 59.537 21.403 7.951 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 59.050 21.979 7.362 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 58.873 21.038 8.535 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 83.971 0.704 56.611 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 83.802 -0.012 57.224 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 84.189 1.451 57.168 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 39.349 1.340 48.455 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 39.502 2.115 48.995 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 39.292 1.677 47.561 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 48.433 18.924 -16.779 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 48.740 18.947 -17.685 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 49.094 18.409 -16.315 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 62.271 84.458 55.803 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 62.426 83.522 55.933 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 62.303 84.831 56.684 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 89.340 77.760 66.230 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 90.070 77.213 65.938 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 88.716 77.734 65.505 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 20.229 61.605 27.002 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 20.654 60.747 27.024 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 20.041 61.756 26.076 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 54.688 75.689 48.417 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 54.077 76.306 48.014 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 54.658 74.917 47.851 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 72.958 73.333 1.966 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 72.342 72.600 1.973 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 72.945 73.649 1.063 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 86.948 72.707 64.465 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 86.267 73.255 64.854 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 86.604 72.472 63.603 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 28.683 90.130 63.531 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 29.541 90.500 63.321 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 28.874 89.412 64.135 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 87.646 6.986 -8.699 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 88.107 7.664 -8.205 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 86.719 7.201 -8.594 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 50.032 74.076 -11.462 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 50.533 73.291 -11.686 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 49.295 73.751 -10.945 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 90.418 43.917 63.060 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 89.533 44.178 63.315 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 90.824 43.620 63.875 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 88.345 72.402 -10.690 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 88.470 73.047 -9.994 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 87.414 72.458 -10.905 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 27.071 51.934 12.587 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 27.521 51.520 13.323 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 27.696 52.578 12.255 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 39.829 57.988 -4.448 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 39.239 58.394 -5.084 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 40.706 58.224 -4.750 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 85.184 21.128 4.059 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 84.847 21.746 3.410 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 85.997 20.797 3.676 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 88.960 50.699 0.804 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 89.609 51.397 0.717 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 89.095 50.355 1.687 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 56.137 57.012 -13.151 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 55.618 56.483 -13.757 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 57.046 56.794 -13.358 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 37.225 27.727 17.946 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 36.939 28.588 17.641 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 36.740 27.106 17.401 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 28.164 56.671 23.730 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 27.806 56.137 23.021 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 29.064 56.855 23.461 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 25.962 57.597 36.940 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 25.310 57.951 37.545 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 26.178 56.735 37.297 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 21.832 30.156 47.672 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 21.044 29.653 47.882 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 21.772 30.313 46.729 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 73.679 18.405 54.575 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 73.500 19.120 55.185 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 74.466 18.682 54.106 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 81.061 41.570 37.677 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 81.332 41.288 36.804 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 81.064 40.768 38.200 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 39.900 3.933 53.512 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 40.071 4.450 54.299 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 39.388 4.516 52.950 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 81.027 70.706 63.061 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 80.282 70.229 62.696 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 81.264 70.215 63.848 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 33.485 95.040 19.082 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 32.786 94.528 19.489 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 33.190 95.176 18.182 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 21.387 61.984 -8.119 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 21.975 62.695 -8.373 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 21.640 61.251 -8.680 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 48.590 89.794 26.469 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 49.059 89.331 27.163 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 48.850 89.347 25.664 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 29.481 96.609 1.296 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 28.923 96.261 0.600 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 29.706 95.845 1.828 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 72.846 38.319 3.793 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 73.378 37.889 3.124 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 73.472 38.833 4.304 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 76.212 26.423 18.731 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 76.951 26.724 18.202 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 75.478 26.382 18.117 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 53.271 47.564 -13.539 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 53.238 46.981 -14.297 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 53.757 48.330 -13.846 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 71.742 0.826 5.676 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 71.434 1.054 4.799 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 72.469 0.222 5.526 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 58.714 58.583 -10.527 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 58.423 57.672 -10.484 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 59.421 58.578 -11.172 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 51.655 72.764 48.370 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 51.105 72.201 48.914 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 52.523 72.710 48.770 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 85.679 49.226 49.338 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 85.502 49.714 50.142 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 86.117 48.428 49.633 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 39.954 66.707 -0.136 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 40.521 67.253 0.409 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 39.103 66.733 0.302 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 80.099 81.073 -16.403 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 79.267 81.268 -15.972 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 80.736 81.039 -15.689 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 61.832 40.633 45.290 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 60.927 40.384 45.103 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 61.826 40.879 46.216 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 63.356 70.548 58.806 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 63.831 70.277 59.592 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 63.873 71.271 58.451 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 32.155 39.789 32.690 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 32.999 40.240 32.684 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 32.146 39.285 31.877 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 29.568 69.161 15.729 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 29.226 68.611 16.434 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 30.462 69.370 15.999 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 32.053 38.138 39.067 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 32.705 38.313 38.388 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 32.435 38.502 39.865 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 23.515 27.177 22.949 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 23.245 26.542 22.285 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 24.256 27.636 22.554 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 46.768 91.573 64.672 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 47.354 91.231 65.347 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 47.239 92.318 64.300 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 90.271 41.629 0.912 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 89.927 40.867 0.447 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 89.886 42.380 0.461 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 66.740 84.936 -14.655 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 66.435 84.066 -14.911 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 66.731 85.442 -15.468 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 83.706 87.564 -16.511 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 84.094 87.957 -17.293 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 84.280 86.827 -16.303 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 86.959 46.382 4.336 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 87.906 46.418 4.474 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 86.587 46.809 5.108 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 55.209 73.383 -13.856 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 55.262 72.705 -13.182 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 55.479 72.943 -14.662 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 68.792 72.427 -18.907 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 68.375 72.530 -19.762 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 69.479 71.776 -19.051 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 77.232 12.041 50.759 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 76.532 12.534 51.186 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 77.272 12.400 49.873 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 76.063 87.321 43.942 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 75.670 86.448 43.903 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 75.741 87.763 43.157 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 43.937 2.127 49.442 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 43.335 1.419 49.668 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 43.986 2.663 50.233 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 83.815 0.527 43.248 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 83.991 1.364 42.818 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 82.868 0.410 43.168 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 27.998 52.962 52.705 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 27.616 52.639 53.521 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 27.894 52.238 52.087 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 26.859 53.996 -1.960 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 27.632 54.471 -1.654 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 26.469 53.634 -1.164 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 38.431 27.179 35.724 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 38.142 27.687 36.482 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 39.309 27.510 35.533 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 76.082 58.138 37.376 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 75.143 58.071 37.203 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 76.284 59.065 37.250 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 81.407 48.148 53.386 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 80.725 47.726 53.909 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 81.240 49.085 53.486 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 69.295 46.479 18.770 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 68.547 45.928 18.537 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 69.031 46.910 19.582 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 41.531 78.826 32.313 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 41.937 78.601 31.476 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 41.478 77.995 32.785 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 50.278 90.576 -4.065 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 50.016 89.728 -3.705 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 50.549 90.382 -4.962 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 23.102 79.044 26.675 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 23.476 79.241 25.817 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 22.215 78.738 26.486 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 82.707 38.403 -0.335 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 82.896 38.941 -1.104 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 83.560 38.066 -0.062 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 54.002 8.045 1.111 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 54.529 8.797 1.382 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 54.143 7.394 1.798 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 40.823 15.199 -1.139 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 41.500 15.140 -1.813 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 40.595 14.289 -0.948 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 20.271 21.892 0.534 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 20.444 20.955 0.629 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 20.122 22.200 1.428 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 48.527 75.687 62.398 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 47.819 75.720 63.041 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 48.082 75.669 61.551 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 42.769 89.685 -3.643 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 43.430 89.553 -2.963 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 43.260 89.646 -4.464 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 36.874 65.851 -3.453 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 36.638 66.713 -3.109 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 36.619 65.883 -4.375 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 29.209 6.061 -10.124 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 30.060 6.203 -10.539 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 29.155 5.113 -10.003 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 35.125 22.897 15.329 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 34.756 23.703 14.969 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 36.033 23.119 15.533 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 42.271 62.531 58.099 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 42.502 62.121 57.265 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 41.434 62.132 58.339 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 83.401 85.230 22.332 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 83.295 85.068 23.270 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 82.947 84.500 21.910 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 47.249 46.539 -9.255 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 48.139 46.682 -8.933 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 46.867 47.415 -9.300 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 31.965 34.192 -2.015 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 32.835 33.987 -2.356 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 31.893 35.143 -2.096 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 82.784 8.587 67.591 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 82.515 9.459 67.303 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 83.414 8.299 66.931 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 69.971 44.603 61.683 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 70.774 45.022 61.992 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 69.517 45.287 61.191 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 70.631 1.898 3.156 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 70.321 2.740 3.489 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 70.867 2.073 2.245 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 82.156 51.636 19.174 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 81.621 52.391 19.418 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 81.528 50.921 19.068 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 68.335 86.859 64.277 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 68.856 87.133 65.032 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 68.833 86.138 63.891 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 60.033 89.327 27.855 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 60.168 90.061 27.256 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 60.292 89.666 28.712 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 72.600 17.685 7.431 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 73.304 18.311 7.600 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 71.803 18.140 7.703 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 69.786 20.514 31.963 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 69.134 21.215 31.941 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 69.421 19.829 31.402 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 49.024 80.997 38.002 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 48.491 80.222 37.823 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 49.898 80.651 38.184 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 27.212 22.906 58.576 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 27.596 22.160 59.038 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 27.893 23.578 58.599 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 73.501 0.335 2.371 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 72.914 1.045 2.112 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 73.078 -0.060 3.133 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 67.995 31.594 14.558 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 67.101 31.814 14.820 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 67.895 31.148 13.717 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 82.421 31.173 37.262 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 83.152 30.709 37.671 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 82.366 30.805 36.380 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 82.143 32.189 -5.056 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 82.605 31.491 -4.591 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 81.534 32.546 -4.409 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 30.491 20.770 9.526 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 29.776 21.203 9.060 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 30.934 21.476 9.997 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 38.488 24.391 -14.336 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 37.938 25.152 -14.523 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 38.507 24.337 -13.381 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 44.301 11.206 63.656 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 44.190 12.132 63.872 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 45.246 11.097 63.549 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 88.171 95.711 -16.193 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 88.230 95.717 -17.148 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 89.056 95.498 -15.898 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 27.336 33.149 2.052 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 27.482 32.788 1.178 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 28.003 33.828 2.146 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 53.768 89.143 38.234 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 54.211 88.850 37.438 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 52.852 89.248 37.975 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 86.838 40.986 39.590 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 86.256 41.740 39.680 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 86.786 40.751 38.664 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 43.480 1.229 37.161 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 42.988 2.025 37.365 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 44.045 1.094 37.922 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 38.959 21.709 64.822 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 38.015 21.715 64.981 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 39.084 21.042 64.147 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 74.396 77.169 -3.914 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 75.199 77.668 -3.765 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 74.485 76.398 -3.354 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 67.540 81.058 48.404 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 66.773 81.570 48.662 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 67.329 80.162 48.667 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 33.126 53.781 37.680 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 32.756 52.899 37.655 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 32.718 54.234 36.942 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 74.501 74.262 20.358 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 74.414 73.409 20.785 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 74.303 74.896 21.047 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 45.591 7.209 25.615 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 45.201 6.806 26.391 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 45.121 8.036 25.512 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 27.917 2.496 -12.784 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 28.480 2.066 -13.427 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 28.117 3.427 -12.873 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 61.961 96.199 -17.156 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 62.494 95.866 -16.435 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 62.056 97.150 -17.105 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 22.659 91.904 6.612 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 22.686 92.822 6.883 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 23.254 91.459 7.214 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 34.412 78.759 -4.715 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 34.734 78.195 -4.012 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 33.467 78.606 -4.733 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 74.588 8.024 -6.232 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 74.050 8.399 -5.535 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 74.028 7.361 -6.637 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 70.687 90.296 65.273 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 70.943 91.153 65.614 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 71.514 89.830 65.149 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 40.624 37.065 6.436 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 39.749 36.815 6.733 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 41.059 37.397 7.221 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 39.934 18.958 -16.601 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 39.936 18.061 -16.266 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 39.744 19.499 -15.835 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 89.715 64.939 25.159 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 88.985 64.942 25.778 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 90.114 64.075 25.262 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 36.824 85.780 9.391 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 35.868 85.793 9.435 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 37.077 86.703 9.381 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 40.705 75.701 62.357 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 41.495 76.084 61.973 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 40.262 75.277 61.622 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 67.738 51.730 3.056 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 68.689 51.797 3.134 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 67.434 51.580 3.952 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 26.636 65.477 21.314 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 27.520 65.830 21.221 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 26.265 65.949 22.059 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 64.262 38.597 62.963 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 65.182 38.857 63.009 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 63.927 38.744 63.848 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 32.712 93.215 23.853 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 33.513 92.767 24.125 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 32.976 94.127 23.734 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 47.998 39.282 39.032 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 48.502 39.070 38.247 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 48.659 39.462 39.701 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 60.162 95.276 16.897 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 60.348 95.010 15.996 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 59.348 94.824 17.118 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 29.720 74.981 60.562 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 28.765 75.040 60.583 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 29.956 74.596 61.406 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 32.520 69.969 30.853 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 32.884 69.649 31.678 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 33.147 70.628 30.554 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 24.899 17.109 -16.872 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 25.178 16.752 -17.715 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 24.116 17.621 -17.075 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 20.561 38.013 2.701 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 21.259 38.002 2.046 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 20.450 38.938 2.918 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 55.867 10.590 1.764 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 56.640 10.184 2.157 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 55.530 11.173 2.445 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 52.782 11.599 58.241 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 53.264 12.399 58.035 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 52.241 11.833 58.996 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 47.106 15.848 16.857 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 46.218 15.940 16.513 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 47.572 16.615 16.526 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 22.502 74.434 17.482 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 21.762 74.690 18.033 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 23.193 74.199 18.102 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 29.950 53.846 43.975 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 30.606 53.728 44.662 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 29.123 53.944 44.447 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 46.260 72.366 30.813 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 47.004 72.033 30.311 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 46.161 71.746 31.535 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 84.620 46.695 15.389 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 84.262 47.010 14.559 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 84.227 45.831 15.508 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 26.805 4.789 -2.595 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 27.122 4.778 -1.692 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 27.551 4.492 -3.116 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 29.275 91.544 29.215 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 28.842 92.159 28.622 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 29.788 90.977 28.640 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 64.960 40.924 6.400 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 64.714 41.831 6.578 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 64.340 40.403 6.910 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 42.963 22.736 -2.630 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 42.689 21.992 -2.093 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 42.322 23.420 -2.437 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 89.537 32.610 35.119 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 89.023 32.996 35.828 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 89.310 33.129 34.347 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 37.980 59.327 -5.888 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 37.477 59.003 -5.141 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 37.529 58.971 -6.654 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 62.827 28.676 -3.969 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 62.458 27.807 -3.812 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 63.668 28.665 -3.511 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 44.396 71.992 -4.862 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 44.145 71.916 -3.942 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 45.176 71.445 -4.945 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 60.264 69.100 60.789 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 60.303 69.046 61.744 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 60.402 68.200 60.492 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 63.164 59.587 61.818 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 62.903 60.449 61.493 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 63.155 59.026 61.043 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 81.443 32.303 -13.152 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 80.652 32.842 -13.127 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 81.119 31.404 -13.203 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 75.348 42.229 -6.284 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 74.410 42.304 -6.461 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 75.718 41.881 -7.096 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 77.489 50.625 50.113 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 77.116 51.135 49.394 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 78.432 50.633 49.949 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 54.591 17.686 23.716 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 54.621 18.560 23.327 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 53.820 17.701 24.282 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 33.109 19.308 29.007 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 33.163 19.134 28.067 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 33.764 19.989 29.162 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 88.311 5.051 -1.849 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 89.198 5.034 -1.490 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 87.792 5.505 -1.184 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 74.187 87.335 58.729 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 74.065 86.556 58.186 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 74.187 87.004 59.627 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 49.004 72.520 -5.512 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 49.052 72.914 -4.641 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 49.911 72.505 -5.819 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 60.685 71.139 58.938 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 61.626 71.116 59.112 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 60.317 70.476 59.523 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 50.377 20.444 20.387 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 49.696 20.983 19.983 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 50.411 20.742 21.296 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 66.221 51.648 36.563 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 66.148 52.577 36.781 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 65.319 51.327 36.575 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 37.446 43.782 29.521 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 38.254 43.281 29.414 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 37.562 44.252 30.346 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 31.288 2.678 46.117 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 31.780 2.153 45.487 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 31.232 3.545 45.715 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 82.289 22.023 64.818 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 81.982 22.677 64.191 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 83.120 21.714 64.455 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 62.032 31.766 14.658 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 61.215 31.381 14.341 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 61.820 32.687 14.809 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 53.016 76.424 38.820 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 52.798 76.323 37.893 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 52.953 77.365 38.981 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 34.284 87.679 14.563 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 34.819 88.345 14.994 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 34.886 87.238 13.965 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 37.582 70.132 17.254 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 37.606 69.316 16.754 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 37.098 70.741 16.696 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 46.271 43.462 35.568 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 46.463 43.956 34.771 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 46.051 42.583 35.258 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 29.308 39.039 -2.777 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 28.894 39.576 -3.452 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 29.331 39.603 -2.003 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 59.425 25.761 30.629 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 58.735 25.112 30.764 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 59.703 25.631 29.722 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 20.900 37.666 66.241 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 20.790 38.363 66.888 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 21.127 36.893 66.758 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 89.609 28.600 -15.839 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 89.354 29.392 -15.366 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 89.210 27.885 -15.343 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 63.470 5.054 29.917 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 62.676 5.403 29.513 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 63.645 5.643 30.651 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 57.663 88.444 65.071 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 57.989 88.668 64.200 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 58.414 88.577 65.650 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 65.014 80.569 42.074 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 64.926 79.623 41.956 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 64.619 80.743 42.929 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 67.091 26.148 -10.263 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 66.892 25.340 -9.789 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 67.098 26.827 -9.588 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 81.696 65.444 29.361 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 81.030 66.019 29.738 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 81.200 64.808 28.846 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 32.349 69.596 -9.817 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 31.665 69.662 -10.483 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 33.126 69.311 -10.297 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 80.204 49.163 24.624 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 80.111 49.868 23.984 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 79.697 49.456 25.380 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 78.519 84.967 34.849 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 77.967 85.583 34.366 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 77.998 84.729 35.616 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 44.355 85.652 27.671 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 43.420 85.602 27.472 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 44.399 86.133 28.498 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 35.021 43.107 28.469 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 35.077 42.184 28.222 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 35.841 43.283 28.929 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 77.204 47.745 65.742 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 77.640 47.410 64.959 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 76.539 48.347 65.407 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 24.946 64.740 15.546 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 25.301 64.295 16.315 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 25.489 65.523 15.450 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 56.053 4.405 63.667 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 56.203 3.688 64.283 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 56.522 5.149 64.046 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 63.661 35.300 51.995 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 64.232 35.259 52.762 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 62.825 34.947 52.299 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 30.324 49.741 -14.204 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 29.477 49.421 -14.513 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 30.176 50.667 -14.013 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 51.237 89.511 22.173 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 50.650 90.074 21.668 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 51.138 89.810 23.077 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 66.108 77.738 41.204 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 65.700 77.059 40.667 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 66.810 78.089 40.655 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 57.576 71.500 -13.348 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 57.997 72.261 -12.949 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 56.832 71.310 -12.776 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 50.841 31.964 -3.292 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 50.168 32.643 -3.243 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 51.551 32.366 -3.792 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 34.640 34.609 31.016 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 34.088 34.893 30.287 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 35.094 35.404 31.296 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 73.725 41.200 7.590 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 74.077 42.090 7.600 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 73.049 41.202 8.269 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 31.760 62.909 22.789 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 31.957 62.876 23.725 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 32.613 63.013 22.368 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 71.632 20.082 10.541 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 70.761 20.474 10.601 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 71.645 19.657 9.683 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 56.093 23.273 -12.864 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 55.935 24.183 -13.116 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 56.761 22.967 -13.477 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 27.404 38.310 -18.630 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 27.750 37.828 -19.380 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 26.776 37.709 -18.228 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 81.860 34.529 46.853 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 82.516 33.850 46.698 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 81.895 34.686 47.796 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 63.604 36.346 32.586 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 62.776 36.286 32.110 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 64.016 37.142 32.249 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 57.994 53.668 57.242 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 57.972 54.573 56.933 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 58.649 53.669 57.941 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 34.875 61.404 -14.661 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 35.461 60.848 -14.147 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 34.940 61.062 -15.553 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 44.611 44.505 28.825 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 45.453 44.372 28.389 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 44.136 45.105 28.251 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 78.717 18.302 66.650 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 78.607 19.066 66.084 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 78.769 17.561 66.045 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 83.403 60.498 35.590 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 84.074 61.150 35.388 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 82.575 60.937 35.397 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 68.779 81.164 6.503 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 67.895 81.368 6.811 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 69.353 81.705 7.045 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 70.137 45.372 24.922 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 70.111 45.798 24.065 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 69.304 44.904 24.983 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 78.519 46.124 24.508 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 79.199 46.681 24.887 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 77.741 46.680 24.479 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 40.676 12.913 63.919 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 39.860 13.413 63.894 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 41.254 13.426 64.484 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 73.452 82.175 31.933 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 74.240 82.662 32.175 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 73.087 81.878 32.767 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 59.010 28.238 31.616 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 59.413 27.460 31.231 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 58.526 28.640 30.894 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 62.353 23.809 13.407 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 62.119 24.434 14.094 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 61.595 23.228 13.343 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 67.798 94.913 65.474 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 67.598 94.832 64.542 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 67.455 95.772 65.720 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 70.943 44.662 41.920 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 70.930 43.863 41.394 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 71.163 44.365 42.803 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 31.839 86.958 -5.843 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 31.309 86.457 -6.462 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 31.944 86.376 -5.090 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 25.863 22.823 39.727 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 25.443 23.384 40.379 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 25.709 21.932 40.042 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 83.019 38.454 -16.637 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 82.751 38.522 -17.554 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 82.203 38.312 -16.158 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 46.845 45.191 12.881 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 45.947 44.997 13.153 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 47.153 45.837 13.517 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 28.153 72.196 9.775 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 28.919 72.488 10.268 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 27.456 72.133 10.428 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 60.317 7.060 25.909 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 59.956 6.184 26.044 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 59.568 7.590 25.636 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 20.490 72.087 24.779 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 19.572 71.886 24.965 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 20.884 71.239 24.572 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 34.699 75.391 20.825 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 35.320 75.119 21.500 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 34.330 74.571 20.495 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 83.290 62.009 45.837 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 83.854 62.064 45.066 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 82.414 61.852 45.483 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 46.129 1.144 58.906 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 45.940 0.258 58.598 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 46.460 1.024 59.796 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 76.663 41.843 56.544 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 75.895 41.564 57.044 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 76.483 41.557 55.648 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 26.644 88.429 33.766 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 26.732 88.597 32.828 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 27.106 87.603 33.906 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 83.651 44.669 41.817 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 82.814 45.123 41.913 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 83.784 44.231 42.658 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 49.077 37.289 -14.485 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 48.958 36.341 -14.429 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 49.058 37.478 -15.423 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 69.088 15.585 -7.370 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 68.415 15.768 -6.714 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 69.902 15.527 -6.870 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 65.388 67.465 -5.125 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 64.979 67.052 -5.885 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 65.030 66.992 -4.373 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 73.283 80.261 29.444 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 72.635 79.639 29.774 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 73.346 80.928 30.127 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 68.619 43.492 21.349 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 68.691 44.271 21.900 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 67.831 43.640 20.825 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 69.057 25.489 5.059 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 69.979 25.717 4.937 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 68.695 26.216 5.566 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 33.359 24.077 58.237 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 32.908 24.381 57.449 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 33.796 24.857 58.580 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 34.159 39.261 52.792 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 34.701 40.047 52.721 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 34.043 39.133 53.733 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 32.237 5.174 51.625 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 32.671 6.026 51.572 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 31.988 4.975 50.722 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 23.124 29.549 36.400 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 22.397 29.632 37.018 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 22.987 30.260 35.773 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 83.949 30.551 43.362 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 83.266 30.114 42.854 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 83.479 30.981 44.077 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 51.191 91.875 34.844 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 50.926 92.727 35.192 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 50.379 91.369 34.807 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 31.726 21.773 42.098 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 31.803 22.192 41.241 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 32.173 20.933 41.997 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 49.250 87.674 24.858 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 48.609 87.649 24.148 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 49.128 86.844 25.320 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 52.408 14.477 -8.118 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 51.496 14.503 -7.827 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 52.841 13.890 -7.497 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 28.734 62.202 59.280 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 29.368 61.714 58.755 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 28.667 61.708 60.097 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 85.511 31.497 -0.765 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 85.848 31.851 0.058 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 85.174 30.632 -0.534 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 69.833 36.670 7.087 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 69.307 35.896 7.287 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 70.446 36.375 6.412 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 42.245 73.517 18.202 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 42.574 73.013 17.458 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 43.025 73.719 18.719 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 56.308 39.556 51.258 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 55.386 39.300 51.249 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 56.412 40.105 50.480 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 64.117 44.964 -10.454 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 63.428 44.878 -11.114 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 64.268 45.907 -10.387 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 76.134 24.296 64.971 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 76.479 24.585 65.816 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 76.911 24.065 64.461 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 37.350 30.047 63.662 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 36.486 30.457 63.686 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 37.316 29.374 64.341 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 27.372 93.599 15.960 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 28.027 94.243 15.690 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 27.532 93.471 16.895 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 87.349 13.390 66.472 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 86.893 14.056 66.986 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 88.054 13.866 66.033 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 26.190 27.133 7.711 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 25.266 27.176 7.954 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 26.540 26.406 8.227 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 21.507 40.231 8.317 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 21.077 40.834 7.711 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 21.734 40.773 9.073 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 71.884 33.959 34.801 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 71.168 33.660 34.240 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 71.814 34.914 34.789 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 22.421 75.392 41.614 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 21.675 75.667 41.082 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 22.651 74.527 41.275 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 82.114 33.335 64.910 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 81.952 34.180 64.490 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 81.257 33.062 65.239 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 66.039 41.566 31.103 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 65.928 41.246 30.208 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 65.235 42.052 31.285 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 61.214 6.234 -13.250 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 61.464 6.246 -12.326 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 62.008 6.494 -13.717 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 53.038 40.931 -3.391 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 53.724 41.598 -3.364 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 53.374 40.219 -2.845 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 74.409 64.706 18.781 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 73.729 64.824 19.444 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 73.986 64.195 18.091 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 81.973 92.287 -9.843 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 81.982 92.957 -9.160 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 81.172 92.459 -10.338 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 85.876 56.649 51.965 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 86.671 56.191 51.691 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 85.241 56.462 51.273 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 37.270 76.827 59.759 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 38.146 76.578 60.054 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 36.922 76.036 59.348 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 64.201 8.475 35.886 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 64.839 8.397 36.595 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 64.299 9.375 35.573 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 38.739 26.542 41.225 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 39.636 26.502 40.896 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 38.555 25.653 41.530 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 37.511 81.554 39.491 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 37.682 80.910 38.805 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 38.355 81.980 39.637 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 79.381 39.840 -8.604 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 79.138 39.101 -8.045 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 79.817 40.454 -8.014 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 84.038 18.618 40.125 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 84.615 19.240 40.570 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 83.208 19.086 40.031 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 88.239 13.732 9.037 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 88.629 14.280 9.718 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 88.988 13.337 8.589 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 60.910 63.597 39.218 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 61.733 63.374 38.783 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 60.361 63.958 38.522 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 37.872 16.141 10.611 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 38.122 15.221 10.693 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 38.585 16.540 10.112 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 31.497 88.705 54.269 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 30.826 89.387 54.260 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 31.949 88.824 55.105 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 73.918 47.590 -13.513 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 74.740 47.467 -13.038 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 73.310 47.929 -12.856 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 46.115 31.685 60.578 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 45.455 32.066 61.158 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 45.686 30.919 60.196 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 64.227 79.257 -2.120 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 63.613 79.174 -1.391 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 64.286 78.374 -2.486 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 69.692 72.762 44.537 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 70.497 72.526 44.077 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 69.284 73.427 43.982 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 64.318 44.339 41.997 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 63.993 43.788 41.285 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 64.458 45.195 41.592 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 74.678 19.239 8.232 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 75.538 19.090 7.837 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 74.871 19.614 9.091 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 82.016 28.035 39.081 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 81.696 27.133 39.081 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 82.541 28.104 38.283 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 28.925 23.318 19.629 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 28.139 23.862 19.575 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 29.491 23.643 18.929 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 57.967 33.266 14.919 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 57.136 33.713 14.761 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 57.802 32.357 14.668 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 62.350 59.867 -4.682 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 62.905 59.835 -3.902 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 61.495 59.559 -4.381 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 24.959 36.389 -13.368 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 24.705 36.973 -14.083 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 24.133 36.152 -12.946 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 48.381 11.079 40.468 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 49.258 10.722 40.608 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 48.457 11.592 39.663 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 60.495 45.850 65.367 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 61.179 45.824 66.036 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 60.300 46.781 65.260 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 61.104 13.368 30.671 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 61.876 12.806 30.610 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 61.436 14.251 30.510 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 71.073 21.983 17.859 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 70.698 21.247 18.343 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 70.314 22.464 17.527 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 68.120 29.837 65.770 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 68.392 30.754 65.786 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 68.337 29.507 66.642 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 61.940 15.296 -6.132 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 61.534 16.159 -6.055 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 61.794 15.043 -7.043 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 36.177 45.040 -16.949 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 35.705 44.789 -16.155 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 37.099 44.903 -16.735 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 30.503 24.278 17.671 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 31.243 24.864 17.830 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 30.187 24.521 16.800 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 65.170 74.423 66.041 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 64.232 74.232 66.070 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 65.303 75.075 66.729 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 34.838 6.455 -5.531 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 35.384 5.701 -5.754 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 34.625 6.331 -4.606 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 72.735 49.916 2.235 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 73.021 49.281 2.892 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 71.809 49.717 2.096 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 32.977 61.853 64.440 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 32.889 61.100 63.855 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 33.547 61.544 65.144 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 78.970 27.006 -4.907 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 79.024 27.956 -4.801 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 79.741 26.778 -5.426 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 75.834 61.002 62.968 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 75.850 60.073 63.197 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 75.207 61.061 62.247 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 26.099 15.962 13.542 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 25.979 16.505 14.321 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 25.250 15.986 13.100 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 45.583 21.803 -11.095 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 44.672 21.946 -10.836 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 45.976 21.349 -10.350 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 86.766 58.113 54.069 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 85.879 58.444 54.206 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 86.643 57.262 53.648 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 69.049 30.762 38.274 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 68.621 31.270 38.963 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 69.408 31.419 37.678 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 45.071 90.007 41.627 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 44.574 90.398 40.908 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 44.475 89.364 42.010 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 89.500 65.151 65.486 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 89.778 64.240 65.387 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 89.089 65.183 66.350 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 32.343 29.005 9.828 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 31.807 29.367 9.123 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 32.742 29.771 10.243 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 61.331 51.446 -11.761 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 61.341 50.676 -11.193 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 60.863 52.111 -11.256 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 35.573 0.367 44.095 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 36.457 0.698 44.254 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 35.080 0.614 44.878 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 73.493 40.210 52.169 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 73.727 39.343 51.837 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 72.554 40.153 52.345 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 32.018 8.411 -15.616 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 31.636 9.168 -16.061 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 32.675 8.784 -15.029 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 80.518 75.482 41.032 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 81.467 75.477 40.909 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 80.239 74.601 40.782 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 87.568 38.062 20.734 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 87.662 38.939 20.362 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 86.930 37.628 20.167 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 20.478 45.902 -2.404 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 20.439 46.749 -2.849 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 20.772 46.111 -1.517 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 54.950 38.495 44.997 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 54.568 38.496 44.120 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 54.510 37.775 45.450 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 21.853 8.190 -5.453 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 21.811 8.211 -6.409 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 21.512 9.041 -5.178 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 53.331 95.739 4.653 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 53.573 94.840 4.877 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 52.788 96.031 5.385 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 85.245 72.191 -9.630 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 84.632 71.463 -9.531 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 85.230 72.634 -8.781 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 72.927 5.802 -4.908 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 73.836 5.841 -4.611 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 72.985 5.524 -5.822 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 73.687 61.452 10.820 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 72.938 60.861 10.895 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 74.274 61.186 11.529 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 64.292 30.061 23.532 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 63.984 30.381 22.684 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 65.234 30.228 23.525 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 40.112 62.708 6.289 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 40.258 63.361 6.973 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 40.868 62.124 6.348 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 25.367 39.315 -1.549 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 26.040 39.474 -0.886 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 25.074 38.419 -1.384 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 75.668 86.388 0.544 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 74.969 85.922 0.085 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 75.440 87.313 0.450 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 42.806 81.191 55.744 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 43.099 82.029 55.388 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 43.607 80.771 56.059 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 60.741 46.207 -9.161 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 60.650 46.726 -8.362 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 61.222 45.426 -8.886 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 74.572 89.316 0.084 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 73.834 89.471 0.673 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 74.937 90.186 -0.078 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 36.854 59.759 29.003 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 37.402 60.013 28.259 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 37.419 59.876 29.767 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 75.906 57.113 7.799 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 75.574 57.367 6.937 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 75.123 56.886 8.300 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 57.670 50.185 38.704 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 57.068 50.840 38.352 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 57.587 49.439 38.110 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 59.998 51.349 23.931 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 60.050 51.450 22.981 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 59.098 51.065 24.094 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 90.312 48.075 66.474 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 89.962 48.661 65.803 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 89.832 48.307 67.269 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 84.056 49.568 -18.136 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 84.229 50.235 -18.800 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 84.178 48.736 -18.595 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 86.080 43.449 15.868 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 85.174 43.683 16.072 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 86.044 42.516 15.653 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 75.296 52.915 9.579 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 74.995 53.332 10.387 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 76.217 53.165 9.508 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 57.251 13.937 7.327 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 56.684 13.311 6.877 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 56.648 14.515 7.795 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 69.460 53.587 5.825 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 68.612 53.800 5.437 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 69.615 54.285 6.461 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 78.669 50.053 -10.779 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 77.990 50.195 -10.120 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 78.871 50.929 -11.109 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 39.088 38.047 33.710 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 38.678 38.016 32.846 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 39.759 37.365 33.683 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 77.672 56.954 49.567 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 77.006 57.300 48.973 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 78.212 57.712 49.790 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 80.628 30.734 56.458 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 79.866 31.292 56.301 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 81.274 31.023 55.814 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 62.466 15.741 -11.194 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 63.156 15.997 -11.806 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 61.893 16.506 -11.144 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 42.783 62.499 12.995 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 42.576 62.554 13.928 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 43.734 62.600 12.954 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 61.059 19.961 17.572 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 61.075 20.866 17.261 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 61.334 20.017 18.487 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 36.480 63.901 28.972 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 37.167 63.947 28.307 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 36.863 63.377 29.676 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 56.616 50.389 -14.148 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 56.625 49.838 -13.366 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 57.426 50.167 -14.608 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 23.335 29.153 -1.465 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 23.277 29.942 -2.004 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 23.286 28.431 -2.092 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 68.801 29.042 26.619 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 69.310 28.816 25.841 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 68.431 28.210 26.914 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 83.262 39.874 32.259 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 83.463 39.933 31.325 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 84.013 40.280 32.692 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 77.993 27.002 -9.937 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 77.403 27.458 -9.338 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 77.440 26.760 -10.681 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 80.086 88.937 7.215 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 80.748 89.626 7.273 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 80.156 88.612 6.317 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 62.678 9.749 5.308 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 62.869 10.313 4.559 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 63.517 9.343 5.523 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 42.953 88.835 20.120 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 42.647 89.717 19.912 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 42.231 88.439 20.609 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 41.996 27.139 1.221 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 42.437 27.836 1.707 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 42.292 27.251 0.318 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 63.323 52.338 33.269 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 62.538 52.486 33.797 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 63.037 52.486 32.368 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 25.176 61.837 38.837 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 25.904 61.396 38.400 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 25.170 61.473 39.722 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 64.587 42.649 -8.643 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 65.353 42.797 -8.088 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 64.696 43.263 -9.369 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 42.280 63.637 -13.841 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 42.449 63.601 -12.899 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 42.180 64.569 -14.031 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 56.863 29.826 35.643 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 56.410 30.638 35.417 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 57.073 29.918 36.572 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 65.815 37.821 59.234 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 65.841 38.663 59.687 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 65.057 37.371 59.607 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 81.557 96.137 -9.955 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 82.210 95.836 -9.324 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 80.742 95.722 -9.673 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 65.165 0.521 13.964 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 65.062 -0.357 13.596 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 64.964 0.417 14.894 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 87.449 34.476 -11.799 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 88.108 33.881 -11.441 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 87.572 34.429 -12.747 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 90.639 46.310 7.747 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 90.296 45.626 8.321 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 90.471 45.987 6.862 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 30.774 26.001 -12.088 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 30.303 26.715 -12.517 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 31.576 26.406 -11.759 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 27.512 81.729 38.944 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 27.149 80.844 38.940 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 26.746 82.303 38.924 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 50.754 43.036 30.166 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 51.127 43.712 29.600 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 50.669 42.270 29.599 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 90.205 46.238 21.017 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 90.703 47.055 21.015 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 89.705 46.258 20.201 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 82.848 25.451 49.774 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 83.520 26.048 50.101 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 83.152 25.202 48.901 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 56.239 46.836 39.710 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 55.754 46.759 38.888 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 57.159 46.783 39.451 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 84.950 8.417 60.894 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 85.827 8.256 60.546 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 84.534 7.556 60.904 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 26.239 78.172 23.200 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 25.478 78.239 23.777 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 26.538 79.075 23.093 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 59.350 17.306 55.475 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 58.397 17.310 55.380 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 59.616 18.198 55.251 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 42.622 85.300 53.485 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 43.260 84.717 53.073 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 42.096 85.633 52.758 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 40.129 54.853 61.921 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 39.212 55.097 61.799 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 40.334 55.126 62.815 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 44.882 50.463 54.822 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 44.489 50.811 55.622 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 45.784 50.785 54.838 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 53.972 6.863 -6.234 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 54.439 7.373 -6.896 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 53.332 7.474 -5.868 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 40.042 4.048 40.174 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 40.594 4.001 40.955 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 39.769 4.964 40.128 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 40.944 57.666 52.793 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 41.206 57.072 53.497 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 41.513 57.434 52.059 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 22.934 60.759 -5.694 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 22.191 61.217 -6.087 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 23.552 61.455 -5.469 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 33.323 16.992 -10.598 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 33.596 17.799 -10.161 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 33.728 17.038 -11.464 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 22.133 47.721 30.263 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 21.381 47.559 29.694 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 22.055 48.643 30.508 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 20.702 47.923 47.749 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 20.748 47.056 47.347 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 21.489 48.372 47.442 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 74.198 84.578 50.644 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 73.261 84.475 50.474 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 74.580 84.747 49.783 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 86.568 73.137 17.966 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 86.264 72.864 17.100 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 86.025 72.640 18.578 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 39.886 50.117 66.080 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 39.068 49.961 65.608 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 40.405 49.327 65.928 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 90.221 27.252 -6.034 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 89.555 26.770 -6.525 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 90.920 27.409 -6.668 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 44.901 33.786 46.835 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 45.512 34.143 47.479 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 45.323 32.986 46.522 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 33.344 34.526 45.697 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 33.098 34.161 46.546 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 33.761 33.799 45.235 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 80.027 64.655 35.392 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 79.881 64.253 34.536 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 79.335 65.312 35.469 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 67.021 70.630 3.498 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 66.574 70.837 2.677 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 67.167 71.480 3.913 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 53.158 70.578 -14.136 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 52.805 69.741 -13.835 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 53.670 70.357 -14.914 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 28.958 64.316 54.652 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 29.672 63.725 54.411 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 29.297 64.811 55.398 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 30.950 74.891 -16.414 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 30.868 75.603 -17.048 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 30.545 74.138 -16.844 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 66.260 63.617 12.297 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 65.431 63.968 12.621 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 66.228 62.685 12.516 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 80.646 48.408 16.161 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 80.698 47.858 15.380 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 81.437 48.194 16.657 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 70.670 78.449 4.154 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 69.900 78.981 4.356 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 70.394 77.550 4.335 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 28.452 37.495 63.996 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 28.453 37.578 64.949 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 29.283 37.066 63.791 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 29.239 51.830 66.800 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 30.032 52.121 67.250 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 28.985 51.027 67.255 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 85.340 46.148 31.416 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 84.703 45.762 32.018 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 85.036 45.889 30.546 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 60.877 47.229 51.923 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 61.294 47.728 51.221 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 60.077 46.882 51.528 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 63.716 37.258 -6.482 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 64.055 37.929 -5.890 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 64.348 37.229 -7.200 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 64.482 45.875 9.209 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 63.784 46.503 9.020 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 64.346 45.634 10.125 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 70.498 42.305 63.228 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 70.590 42.416 64.174 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 70.103 43.124 62.928 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 41.909 18.720 31.850 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 41.887 19.561 31.394 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 41.091 18.291 31.601 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 37.001 77.376 10.604 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 37.528 77.318 9.806 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 37.451 76.809 11.230 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 50.404 16.208 50.379 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 51.291 16.384 50.064 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 50.465 16.295 51.330 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 88.282 40.432 42.014 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 88.605 41.203 42.479 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 87.954 40.774 41.182 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 50.020 74.558 -3.901 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 50.092 74.777 -2.972 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 49.962 75.405 -4.344 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 23.761 85.090 41.241 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 22.879 84.840 40.965 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 24.013 85.788 40.636 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 38.490 96.116 22.036 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 38.764 95.476 22.693 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 38.281 95.591 21.263 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 61.967 36.333 66.921 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 61.966 35.830 66.106 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 61.087 36.703 66.975 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 45.827 24.322 3.725 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 45.366 25.010 4.205 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 46.674 24.249 4.166 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 60.002 66.496 25.091 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 60.324 66.544 24.191 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 59.163 66.041 25.023 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 60.920 86.777 17.542 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 61.709 86.258 17.698 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 60.199 86.161 17.670 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 68.515 48.925 65.877 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 68.888 49.124 66.736 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 67.884 49.628 65.721 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 21.374 68.939 41.864 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 21.894 69.266 41.129 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 21.977 68.381 42.355 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 66.026 25.832 9.583 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 65.404 25.452 8.963 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 65.495 26.065 10.345 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 69.159 46.611 -19.080 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 69.615 47.316 -19.539 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 68.299 46.976 -18.871 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 75.914 91.059 11.909 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 76.603 90.766 11.313 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 76.293 90.958 12.782 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 51.680 40.810 21.035 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 51.817 41.736 20.834 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 51.035 40.518 20.391 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 22.317 66.852 30.702 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 23.210 66.567 30.509 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 22.096 67.449 29.988 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 45.339 30.516 34.745 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 44.587 30.098 34.326 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 45.173 31.455 34.655 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 74.952 59.833 23.782 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 74.643 59.479 22.948 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 74.638 59.211 24.438 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 74.131 60.915 43.215 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 74.502 60.216 43.754 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 73.273 61.087 43.605 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 81.092 57.067 65.695 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 81.244 56.123 65.648 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 80.537 57.182 66.466 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 38.049 69.853 -4.595 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 37.370 69.825 -3.921 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 38.693 70.478 -4.261 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 28.653 0.421 -17.422 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 28.717 -0.531 -17.490 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 29.080 0.747 -18.215 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 44.695 31.136 2.867 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 44.695 31.321 3.806 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 44.784 31.995 2.453 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 89.366 36.847 55.884 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 89.336 37.225 55.005 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 88.540 36.371 55.970 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 71.850 23.610 -18.691 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 71.975 23.240 -19.565 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 72.294 22.996 -18.106 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 53.633 70.925 24.113 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 53.560 70.422 23.301 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 54.371 71.515 23.963 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 68.094 83.875 33.695 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 68.122 84.320 34.542 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 67.171 83.892 33.445 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 72.181 80.864 51.283 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 71.836 81.530 50.689 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 71.497 80.195 51.318 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 40.677 28.575 34.346 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 40.430 29.002 33.526 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 40.766 29.293 34.973 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 80.380 19.455 -7.398 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 80.698 18.658 -6.974 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 80.417 20.123 -6.713 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 33.070 8.374 34.566 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 32.208 8.750 34.743 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 33.660 8.837 35.160 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 40.546 10.976 -12.375 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 40.458 10.411 -13.143 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 39.647 11.203 -12.139 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 48.809 70.054 55.959 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 48.243 70.764 56.263 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 48.668 70.022 55.013 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 43.642 37.421 -4.075 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 42.976 36.814 -4.398 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 43.244 37.825 -3.303 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 28.149 14.129 31.030 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 29.043 13.957 30.731 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 27.625 14.131 30.229 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 79.965 77.836 7.647 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 79.395 78.062 8.382 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 80.464 77.079 7.953 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 62.461 70.886 0.431 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 62.647 70.250 1.123 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 61.534 71.096 0.542 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 73.057 52.377 56.175 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 72.440 52.674 56.843 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 72.646 52.619 55.345 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 27.169 1.891 35.658 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 26.543 1.192 35.849 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 28.024 1.506 35.850 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 32.732 24.160 43.954 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 33.022 23.827 44.803 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 32.303 23.412 43.537 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 24.484 68.562 14.922 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 24.303 67.919 14.236 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 24.241 68.120 15.736 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 45.169 54.613 56.029 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 44.885 54.045 56.746 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 46.125 54.579 56.060 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 26.488 86.666 65.362 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 26.617 87.165 66.169 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 27.371 86.531 65.020 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 44.823 34.970 16.259 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 44.432 34.898 17.129 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 44.514 34.194 15.792 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 34.041 73.768 43.529 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 34.098 73.114 44.226 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 34.449 73.348 42.772 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 63.223 41.766 32.048 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 62.756 40.946 31.888 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 62.680 42.436 31.633 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 20.690 52.324 51.079 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 20.997 53.041 51.635 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 21.484 51.980 50.670 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 41.757 6.585 33.202 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 41.795 6.972 32.328 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 42.665 6.582 33.503 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 64.816 28.578 56.109 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 63.951 28.559 56.518 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 65.091 29.493 56.172 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 25.279 23.043 52.010 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 25.143 22.305 51.416 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 25.536 22.639 52.839 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 79.027 73.305 7.425 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 79.010 72.386 7.693 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 78.151 73.632 7.630 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 88.434 30.328 8.565 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 88.004 29.563 8.948 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 89.298 30.012 8.303 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 41.851 67.775 58.638 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 42.349 66.957 58.633 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 40.999 67.540 58.270 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 74.985 60.620 16.771 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 74.699 60.623 15.858 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 74.418 59.979 17.198 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 22.377 3.097 -0.110 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 22.290 2.485 0.621 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 22.800 2.587 -0.801 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 80.862 94.932 -4.723 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 80.401 94.297 -5.271 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 80.374 94.937 -3.899 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 38.294 74.293 10.281 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 38.789 73.701 10.847 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 37.936 74.952 10.877 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 40.774 29.900 31.742 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 41.643 29.512 31.641 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 40.894 30.822 31.516 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 30.340 46.984 54.976 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 30.346 46.361 54.249 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 31.245 46.997 55.288 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 86.708 29.774 32.791 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 87.404 29.872 33.441 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 87.148 29.415 32.021 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 53.403 42.272 66.888 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 53.171 42.963 67.509 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 53.603 41.513 67.436 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 63.686 12.832 -8.854 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 62.855 13.203 -9.151 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 63.867 12.124 -9.473 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 54.861 4.969 8.920 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 55.041 4.872 9.855 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 54.310 5.748 8.860 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 30.055 86.565 -19.423 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 30.453 87.250 -18.887 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 30.540 86.593 -20.248 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 85.430 35.480 -16.865 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 85.627 36.413 -16.945 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 86.264 35.043 -17.038 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 66.967 90.250 35.316 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 66.826 89.741 36.114 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 66.741 91.147 35.560 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 37.156 5.525 56.783 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 37.622 4.688 56.774 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 37.763 6.133 57.204 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 59.636 72.499 26.707 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 59.889 72.657 25.798 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 58.892 71.899 26.648 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 69.753 36.920 47.748 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 70.441 36.705 47.118 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 69.236 37.601 47.316 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 82.794 78.342 49.772 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 83.534 78.938 49.886 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 82.034 78.918 49.686 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 24.190 91.787 3.955 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 23.961 91.344 4.772 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 24.930 92.348 4.185 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 78.512 33.286 22.836 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 78.612 34.029 22.240 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 78.163 32.583 22.287 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 70.172 38.817 4.684 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 71.096 38.781 4.437 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 70.171 39.224 5.551 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 50.923 34.046 1.022 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 50.398 33.325 0.674 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 51.040 33.833 1.948 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 88.203 87.329 -10.449 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 88.775 87.638 -9.747 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 87.466 87.940 -10.444 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 70.596 51.995 7.650 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 70.387 52.526 6.882 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 69.774 51.946 8.139 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 70.813 16.215 5.723 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 71.621 16.554 6.108 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 70.770 15.305 6.016 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 34.652 88.333 34.343 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 33.759 88.659 34.452 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 35.208 89.083 34.553 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 37.106 80.161 49.676 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 37.016 80.719 48.904 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 36.484 80.521 50.307 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 51.082 79.483 40.540 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 50.693 79.423 41.413 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 52.019 79.594 40.702 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 80.582 23.277 -9.820 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 80.490 24.052 -10.374 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 80.427 23.598 -8.931 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 81.275 71.801 -7.320 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 80.974 72.595 -6.877 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 80.720 71.105 -6.969 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 82.284 83.995 -17.666 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 82.963 84.393 -18.211 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 82.437 84.353 -16.792 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 64.032 18.172 18.123 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 64.253 18.112 17.193 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 64.016 19.111 18.306 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 42.977 13.321 -8.474 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 42.627 14.124 -8.089 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 43.816 13.188 -8.032 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 71.466 55.002 4.053 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 70.840 55.657 3.743 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 71.900 55.419 4.798 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 22.407 15.733 -13.162 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 22.335 16.569 -12.701 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 23.306 15.718 -13.492 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 83.881 60.210 -16.840 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 83.501 60.339 -17.709 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 83.920 59.259 -16.733 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 45.574 89.015 7.864 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 45.524 88.083 8.075 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 46.512 89.206 7.847 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 81.166 6.585 44.587 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 80.608 5.882 44.920 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 81.993 6.479 45.058 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 71.638 83.129 22.550 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 70.924 82.531 22.771 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 71.847 82.928 21.638 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 25.447 4.947 42.784 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 26.359 5.229 42.717 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 25.498 4.006 42.952 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 22.977 81.881 28.057 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 23.857 81.934 27.685 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 22.496 81.313 27.455 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 23.319 82.357 -14.806 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 22.827 81.539 -14.881 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 23.612 82.377 -13.895 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 53.211 24.435 3.314 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 54.056 24.625 3.721 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 52.598 25.032 3.742 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 27.706 89.321 40.371 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 28.381 88.685 40.609 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 27.021 89.202 41.029 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 51.447 70.921 62.940 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 51.872 70.971 63.796 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 51.333 71.834 62.675 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 48.278 14.365 39.902 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 47.595 14.580 40.537 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 49.076 14.285 40.424 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 72.244 6.833 12.153 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 72.865 6.912 11.428 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 72.777 6.550 12.896 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 70.084 29.216 50.500 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 70.049 29.419 49.565 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 69.985 30.064 50.933 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 30.070 63.803 20.542 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 30.864 63.928 20.022 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 29.354 63.988 19.934 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 64.649 90.296 7.126 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 64.284 89.450 6.869 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 64.442 90.879 6.395 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 84.621 84.328 49.216 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 83.787 84.577 49.615 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 85.285 84.713 49.787 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 44.388 54.239 39.578 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 44.715 53.960 38.723 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 43.939 55.067 39.404 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 55.513 88.254 36.188 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 56.439 88.470 36.304 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 55.182 88.926 35.592 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 55.942 12.041 15.034 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 56.485 11.407 15.503 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 56.225 12.892 15.370 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 90.656 51.093 53.559 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 91.107 50.373 53.120 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 90.146 51.514 52.866 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 38.415 87.719 62.952 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 39.087 87.050 63.088 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 38.191 87.650 62.024 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 58.074 33.436 -8.813 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 58.589 34.157 -8.449 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 57.231 33.832 -9.035 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 80.625 51.633 38.326 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 80.250 51.158 37.584 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 79.955 52.273 38.565 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 30.755 22.747 36.916 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 29.807 22.691 37.040 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 30.874 22.729 35.966 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 79.573 16.714 -0.265 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 78.969 15.976 -0.180 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 80.038 16.742 0.571 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 34.351 82.834 2.852 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 34.730 82.219 2.224 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 33.407 82.684 2.795 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 26.386 30.829 -5.940 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 26.185 31.263 -6.769 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 27.210 31.224 -5.656 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 27.346 4.122 17.341 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 28.089 4.343 17.903 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 26.746 3.644 17.914 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 25.759 71.947 -2.048 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 25.997 71.223 -1.469 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 25.613 72.687 -1.459 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 85.448 9.312 54.636 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 86.118 9.995 54.674 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 85.547 8.927 53.765 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 24.500 3.237 62.929 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 25.317 3.030 63.382 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 24.733 3.942 62.325 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 66.450 74.074 16.472 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 66.415 74.201 17.420 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 66.049 73.217 16.329 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 60.399 14.832 -0.916 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 60.882 14.980 -1.729 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 59.928 15.652 -0.765 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 53.405 77.750 57.108 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 53.242 77.484 58.013 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 53.379 76.933 56.609 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 77.943 27.704 25.038 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 77.947 27.341 24.153 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 78.196 28.620 24.923 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 22.406 3.272 10.795 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 22.833 2.955 11.592 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 21.632 2.717 10.701 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 82.759 89.286 13.696 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 82.538 89.381 14.623 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 81.928 89.075 13.271 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 81.737 17.457 66.100 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 81.402 16.919 65.383 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 82.333 16.879 66.576 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 61.461 38.040 37.660 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 60.601 37.801 37.315 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 62.038 38.026 36.897 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 75.604 92.836 45.402 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 75.060 92.794 44.615 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 76.314 93.435 45.171 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 58.455 64.351 49.268 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 57.662 63.816 49.258 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 59.075 63.873 48.717 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 59.336 32.873 41.747 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 58.411 32.627 41.736 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 59.418 33.526 41.052 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 52.014 71.938 -19.165 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 52.715 72.320 -18.637 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 51.545 71.363 -18.561 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 28.274 50.072 18.791 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 28.335 50.143 17.839 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 28.845 49.337 19.014 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 70.025 41.462 -17.191 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 69.201 41.925 -17.345 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 70.622 41.807 -17.855 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 68.344 49.240 10.421 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 67.517 49.478 10.002 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 68.151 48.428 10.889 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 79.500 20.967 -2.377 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 79.206 21.746 -1.904 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 80.456 21.026 -2.365 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 51.008 39.198 -0.557 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 50.982 38.343 -0.128 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 50.417 39.744 -0.039 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 65.674 73.823 -4.861 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 64.921 73.618 -4.307 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 65.436 73.485 -5.724 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 35.952 3.034 8.447 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 35.017 2.925 8.619 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 36.354 3.070 9.315 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 41.167 24.890 23.500 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 40.260 25.011 23.220 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 41.619 25.677 23.196 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 44.914 8.324 19.502 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 44.916 7.377 19.642 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 45.030 8.696 20.376 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 56.146 24.203 66.229 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 56.914 24.465 66.737 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 55.652 23.631 66.817 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 40.784 11.819 8.072 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 40.841 12.492 7.395 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 39.846 11.729 8.242 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 22.976 10.843 33.715 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 23.553 11.077 32.989 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 22.107 11.126 33.432 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 59.578 36.446 53.810 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 60.128 37.142 53.450 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 58.693 36.809 53.798 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 62.988 22.562 53.235 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 62.450 22.733 54.008 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 62.374 22.600 52.502 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 76.044 32.051 55.166 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 76.650 31.347 55.397 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 75.487 32.152 55.937 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 77.679 81.299 -18.922 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 78.075 80.913 -19.703 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 77.842 80.660 -18.229 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 66.440 50.595 22.490 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 65.832 51.061 21.917 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 65.891 50.250 23.194 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 37.648 19.068 18.103 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 38.574 18.829 18.144 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 37.183 18.232 18.128 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 90.502 39.836 15.618 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 89.664 39.374 15.584 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 90.334 40.598 16.173 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 58.262 10.728 16.502 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 58.241 9.776 16.399 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 59.051 11.002 16.035 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 26.670 44.057 -3.832 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 26.518 43.262 -3.322 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 26.117 44.719 -3.417 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 84.921 82.170 -1.876 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 84.910 82.141 -0.920 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 85.801 81.877 -2.115 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 30.459 88.923 59.608 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 30.405 88.337 58.854 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 29.991 89.711 59.333 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 27.870 3.846 5.113 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 28.376 3.316 4.496 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 27.487 3.209 5.717 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 85.309 18.463 6.541 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 84.795 18.766 5.792 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 84.811 17.724 6.890 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 29.038 45.950 27.601 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 29.933 45.777 27.310 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 28.499 45.345 27.091 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 42.886 2.834 17.181 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 43.522 2.125 17.282 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 42.090 2.401 16.874 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 81.636 9.523 -7.196 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 82.382 9.471 -7.793 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 81.895 10.174 -6.544 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 35.400 79.329 55.734 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 36.111 78.752 55.457 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 35.719 80.211 55.547 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 61.798 83.662 5.834 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 62.066 83.210 5.034 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 60.892 83.386 5.974 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 44.430 63.372 43.824 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 44.099 62.779 43.149 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 45.248 62.971 44.117 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 49.252 94.878 -19.940 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 49.348 93.977 -19.632 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 49.748 95.402 -19.311 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 25.080 14.846 57.494 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 24.521 14.546 56.776 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 25.246 14.060 58.014 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 71.153 18.255 34.327 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 71.555 19.119 34.244 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 70.550 18.341 35.066 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 39.331 84.888 44.332 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 39.454 84.571 45.227 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 39.993 84.422 43.820 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 68.693 26.763 -7.448 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 69.364 26.545 -8.095 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 68.168 27.444 -7.868 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 85.632 92.057 55.953 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 85.650 92.383 55.053 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 85.958 91.159 55.889 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 44.156 5.257 -19.670 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 44.495 5.000 -20.527 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 43.506 4.588 -19.458 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 29.092 31.096 63.281 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 29.954 30.854 62.944 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 29.038 32.042 63.146 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 66.069 24.288 32.085 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 65.727 24.374 32.975 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 66.056 25.179 31.735 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 20.988 42.620 -9.473 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 21.371 41.899 -8.973 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 21.126 43.392 -8.924 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 25.698 38.299 10.996 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 25.205 38.613 10.238 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 26.614 38.464 10.772 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 29.002 22.432 -5.253 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 28.720 23.021 -5.953 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 28.525 22.733 -4.480 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 79.103 34.780 29.885 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 78.575 34.923 29.099 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 79.306 35.661 30.201 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 31.839 31.257 33.403 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 31.001 31.665 33.188 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 32.430 31.541 32.706 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 39.256 41.906 0.189 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 39.044 41.833 -0.742 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 39.805 41.143 0.370 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 24.274 30.222 24.635 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 24.266 31.162 24.452 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 23.519 29.879 24.157 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 24.406 10.513 64.025 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 24.777 11.395 64.034 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 24.449 10.225 64.937 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 82.468 78.218 45.788 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 82.282 77.300 45.983 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 82.256 78.314 44.859 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 35.781 14.512 17.265 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 36.728 14.623 17.182 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 35.413 15.075 16.583 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 87.313 38.696 57.447 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 88.123 38.243 57.684 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 86.639 38.018 57.486 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 27.050 13.727 28.582 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 26.872 14.645 28.377 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 27.685 13.452 27.920 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 35.257 9.299 26.811 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 35.076 10.176 27.149 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 34.707 8.720 27.339 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 81.459 91.627 25.192 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 80.642 91.276 24.835 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 81.194 92.416 25.664 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 76.071 21.362 44.708 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 76.263 21.866 43.918 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 75.408 20.728 44.434 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 72.519 25.855 9.311 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 71.819 26.383 8.927 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 72.071 25.095 9.682 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 25.768 12.643 -6.795 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 26.370 12.454 -6.075 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 25.474 13.539 -6.633 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 70.462 37.992 31.644 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 69.886 38.591 32.120 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 70.277 38.163 30.721 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 34.557 60.087 41.336 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 35.164 59.447 40.966 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 35.048 60.909 41.343 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 33.203 25.244 2.763 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 32.982 24.314 2.708 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 32.659 25.578 3.476 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 61.371 13.185 -12.618 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 61.589 13.855 -11.970 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 61.872 13.432 -13.395 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 24.603 95.044 13.835 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 24.399 95.385 12.965 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 25.214 94.325 13.674 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 76.336 26.344 27.666 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 77.035 25.899 28.144 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 76.440 27.268 27.894 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 33.751 54.586 -6.896 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 33.064 55.253 -6.911 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 34.048 54.569 -5.986 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 55.480 13.150 19.641 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 56.279 13.667 19.745 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 54.775 13.797 19.632 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 43.177 91.551 -9.919 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 42.775 92.397 -10.116 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 43.921 91.764 -9.355 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 21.242 10.449 60.623 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 20.402 10.144 60.279 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 21.190 11.403 60.572 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 23.548 56.322 -1.477 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 22.746 56.579 -1.932 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 23.444 55.384 -1.317 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 54.632 69.516 -5.241 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 54.503 68.721 -4.724 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 55.424 69.912 -4.878 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 27.346 68.438 -4.792 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 28.228 68.236 -5.105 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 26.793 67.760 -5.180 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 51.936 46.777 59.926 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 52.464 47.528 59.655 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 52.458 46.348 60.604 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 32.682 18.281 44.572 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 32.475 17.445 44.155 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 32.945 18.851 43.849 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 38.958 25.654 13.958 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 39.338 26.526 14.063 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 39.619 25.161 13.472 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 25.711 1.114 24.388 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 25.629 0.628 25.209 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 26.639 1.344 24.338 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 87.917 84.779 1.761 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 88.335 84.046 2.212 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 88.610 85.433 1.670 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 70.229 33.070 7.925 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 69.442 33.607 8.022 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 70.852 33.443 8.549 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 81.263 21.700 51.489 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 80.800 21.299 52.224 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 82.110 21.255 51.466 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 27.939 1.621 55.137 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 28.264 2.487 54.890 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 28.275 1.036 54.458 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 47.062 24.786 35.100 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 46.805 24.285 34.326 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 46.432 25.506 35.140 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 57.187 12.136 -3.286 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 58.130 12.242 -3.158 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 56.821 12.151 -2.402 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 22.581 69.204 39.034 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 22.857 68.401 38.592 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 23.389 69.704 39.150 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 63.403 76.746 18.823 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 63.719 76.647 17.924 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 63.368 75.852 19.164 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 56.736 27.456 0.191 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 56.565 27.349 -0.745 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 56.837 28.400 0.310 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 85.499 31.266 21.695 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 85.367 31.684 22.546 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 86.340 31.606 21.390 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 83.027 73.687 19.793 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 82.222 73.281 20.116 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 82.830 74.623 19.768 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 51.866 16.048 57.592 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 51.907 16.962 57.310 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 51.061 15.711 57.198 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 78.691 24.644 39.877 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 79.399 25.210 39.571 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 78.316 25.110 40.624 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 41.294 88.660 28.358 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 41.006 87.920 27.822 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 40.482 89.078 28.645 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 71.324 47.967 9.286 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 70.565 48.235 8.767 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 71.099 47.094 9.607 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 64.473 85.605 28.964 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 65.045 86.101 28.378 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 64.050 84.961 28.396 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 54.823 94.126 62.700 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 55.752 93.910 62.781 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 54.709 94.903 63.247 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 63.669 23.136 17.064 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 63.295 23.879 17.538 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 62.910 22.625 16.783 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 46.619 79.285 11.041 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 46.662 78.754 11.836 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 46.975 78.720 10.355 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 52.527 93.601 18.724 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 52.051 93.116 19.398 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 51.940 94.318 18.484 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 73.429 14.200 -7.127 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 72.761 14.228 -6.441 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 72.977 14.507 -7.913 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 61.711 5.822 53.441 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 61.249 5.252 52.826 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 62.590 5.447 53.502 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 28.067 79.608 -3.485 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 28.386 78.821 -3.928 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 28.473 79.577 -2.618 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 48.576 31.493 59.109 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 48.891 32.367 59.340 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 47.946 31.277 59.797 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 84.572 19.105 47.720 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 84.768 18.270 48.145 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 83.616 19.141 47.689 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 56.582 29.066 11.772 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 55.945 29.030 12.486 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 56.452 29.929 11.378 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 90.380 42.447 21.736 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 90.861 42.745 22.508 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 89.583 42.977 21.731 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 60.730 11.287 14.956 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 61.375 10.634 14.683 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 60.463 11.714 14.142 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 80.208 29.992 44.120 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 80.803 30.004 44.869 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 80.445 30.769 43.613 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 23.128 6.803 40.823 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 23.318 6.156 40.144 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 22.509 7.407 40.413 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 30.024 35.372 20.155 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 29.491 35.570 20.925 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 30.561 36.155 20.028 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 32.204 13.474 -2.788 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 31.514 12.857 -3.032 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 33.007 12.954 -2.800 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 64.287 86.673 64.985 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 64.438 87.348 65.647 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 64.403 87.126 64.150 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 22.979 47.824 60.620 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 22.242 47.892 60.013 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 22.891 46.954 61.009 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 59.641 29.710 -1.222 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 59.898 28.789 -1.257 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 59.632 29.993 -2.136 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 42.002 53.992 -6.468 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 41.893 53.079 -6.733 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 41.732 54.009 -5.550 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 23.912 10.994 -11.430 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 23.383 10.259 -11.121 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 23.862 11.639 -10.725 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 24.746 22.064 32.707 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 25.703 22.038 32.724 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 24.521 22.020 31.778 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 66.715 72.800 -9.750 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 67.073 71.962 -10.044 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 66.526 73.278 -10.557 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 39.203 7.992 7.093 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 38.284 8.220 7.229 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 39.496 8.577 6.394 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 88.567 88.150 35.959 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 88.676 87.203 35.874 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 88.528 88.469 35.058 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 54.799 22.727 38.770 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 54.907 21.809 39.018 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 55.641 22.973 38.387 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 33.769 41.704 24.753 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 34.451 41.619 25.419 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 34.238 41.968 23.961 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 47.770 2.070 -18.148 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 48.598 1.867 -17.713 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 47.098 1.760 -17.541 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 50.133 21.856 -3.835 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 49.608 22.476 -4.341 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 51.039 22.065 -4.064 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 33.430 91.752 8.857 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 32.723 91.768 9.503 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 34.232 91.804 9.378 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 47.364 28.027 -3.172 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 46.995 27.750 -2.333 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 46.733 27.721 -3.823 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 46.950 12.400 11.200 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 45.993 12.381 11.171 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 47.215 11.527 10.909 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 27.805 79.815 31.725 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 28.069 79.034 31.238 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 26.971 79.576 32.128 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 27.521 13.529 -1.866 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 27.227 14.425 -1.699 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 28.475 13.575 -1.806 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 28.539 20.872 60.050 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 29.340 20.467 59.719 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 28.696 20.984 60.988 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 74.326 72.476 8.709 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 73.702 71.914 8.250 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 74.440 72.061 9.564 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 58.505 17.314 66.187 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 58.192 16.646 66.796 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 57.708 17.715 65.840 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 22.936 20.575 1.805 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 23.389 20.042 2.458 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 22.732 21.391 2.260 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 39.962 62.321 44.501 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 39.789 62.642 43.616 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 40.809 62.702 44.733 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 41.683 24.642 14.637 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 41.443 24.324 13.767 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 42.517 25.093 14.507 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 47.689 48.102 -3.255 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 47.383 48.983 -3.038 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 47.350 47.551 -2.550 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 61.637 66.587 35.808 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 60.863 66.548 35.247 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 61.883 65.672 35.943 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 77.262 87.640 13.183 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 77.516 86.937 13.782 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 77.481 87.305 12.314 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 65.179 5.480 22.170 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 65.978 5.283 22.660 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 64.744 6.160 22.685 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 87.473 43.269 19.296 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 87.713 43.640 18.447 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 87.556 43.999 19.909 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 84.769 47.166 11.385 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 84.086 47.596 11.901 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 85.346 47.878 11.110 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 43.383 6.831 8.765 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 43.422 5.902 8.994 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 43.284 7.281 9.604 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 43.225 4.383 47.245 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 44.034 3.901 47.419 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 43.350 5.227 47.680 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 32.469 78.488 -16.454 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 31.546 78.351 -16.670 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 32.457 79.128 -15.743 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 30.051 22.085 -1.537 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 30.456 21.377 -2.038 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 30.095 21.791 -0.627 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 55.988 43.014 -11.905 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 55.945 42.068 -12.045 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 55.518 43.156 -11.083 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 61.484 59.059 41.199 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 60.979 59.651 40.641 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 61.222 58.182 40.918 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 38.412 35.538 -7.066 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 38.242 34.877 -6.395 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 38.572 36.344 -6.574 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 76.305 68.382 14.901 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 76.458 68.649 15.807 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 75.414 68.677 14.711 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 30.980 27.897 56.211 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 31.632 28.584 56.075 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 30.217 28.357 56.563 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 35.477 8.752 44.181 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 35.364 9.449 43.535 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 36.214 9.042 44.720 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 73.273 4.745 6.159 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 72.851 5.409 6.703 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 73.354 5.155 5.298 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 50.213 10.092 0.952 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 50.295 10.932 1.403 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 49.327 10.100 0.589 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 82.307 46.325 23.675 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 83.260 46.261 23.743 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 82.041 46.788 24.470 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 81.647 30.047 1.559 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 80.914 29.447 1.694 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 81.370 30.862 1.977 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 32.488 60.660 -18.983 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 32.205 61.562 -18.832 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 32.276 60.203 -18.170 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 85.765 92.647 14.661 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 86.559 92.356 15.107 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 85.656 92.032 13.936 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 66.825 15.247 -11.913 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 67.519 14.680 -11.576 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 66.879 15.153 -12.864 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 35.019 37.317 11.782 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 35.750 37.856 11.482 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 34.542 37.093 10.983 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 90.224 66.062 5.429 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 90.907 65.391 5.451 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 89.423 65.596 5.670 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 31.732 94.638 -7.418 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 30.827 94.933 -7.520 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 31.782 93.834 -7.936 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 75.922 88.120 -5.703 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 76.122 87.761 -6.567 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 75.311 88.836 -5.876 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 72.242 8.365 -4.714 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 71.298 8.507 -4.649 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 72.331 7.437 -4.933 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 49.156 4.228 33.044 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 49.991 4.067 33.483 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 49.307 5.015 32.521 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 57.641 56.451 36.249 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 57.068 55.864 36.744 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 57.262 56.471 35.370 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 85.346 46.541 40.786 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 84.808 45.929 41.289 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 84.990 46.499 39.898 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 69.370 18.588 48.457 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 68.581 18.817 47.965 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 69.842 17.983 47.885 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 86.303 54.781 15.832 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 85.995 53.934 16.154 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 86.636 55.228 16.610 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 64.667 48.150 14.911 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 63.998 48.428 15.536 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 65.077 47.388 15.322 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 20.408 62.079 49.740 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 20.234 63.017 49.816 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 20.681 61.958 48.831 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 37.992 15.698 31.923 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 37.554 15.718 31.072 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 38.595 16.441 31.900 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 85.208 15.449 56.132 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 84.969 16.297 56.506 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 84.478 15.229 55.552 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 89.094 31.269 0.291 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 89.150 30.387 0.658 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 89.980 31.622 0.381 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 50.989 1.434 4.440 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 50.928 0.577 4.863 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 51.505 1.275 3.650 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 55.673 40.082 56.940 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 55.145 40.655 56.384 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 56.569 40.400 56.830 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 69.954 26.537 35.943 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 70.692 27.113 35.740 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 70.330 25.657 35.946 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 66.085 79.674 51.955 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 66.646 78.974 52.292 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 65.419 79.220 51.440 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 59.740 26.466 6.927 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 60.614 26.730 7.213 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 59.144 26.966 7.485 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 29.366 28.476 37.917 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 29.837 27.652 37.789 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 29.399 28.907 37.063 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 84.157 14.542 44.852 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 83.213 14.705 44.850 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 84.293 13.915 44.142 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 90.453 53.271 0.091 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 90.516 53.150 1.038 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 90.344 54.215 -0.024 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 31.792 3.996 27.450 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 32.157 3.494 26.721 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 31.551 4.838 27.065 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 28.991 15.544 4.331 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 28.891 14.990 3.557 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 28.941 14.937 5.069 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 65.359 52.394 -3.383 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 64.872 51.572 -3.428 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 64.889 52.917 -2.735 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 85.168 66.652 31.199 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 84.733 67.496 31.317 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 84.863 66.343 30.345 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 21.066 45.959 11.422 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 20.581 46.778 11.327 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 20.758 45.592 12.250 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 63.353 96.278 5.401 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 63.967 95.847 4.807 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 63.519 97.213 5.281 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 28.891 13.824 2.232 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 29.557 13.411 1.682 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 28.069 13.416 1.960 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 32.711 63.449 25.356 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 33.412 63.963 24.956 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 33.100 63.091 26.154 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 81.805 25.083 59.273 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 81.381 24.226 59.225 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 81.385 25.597 58.583 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 77.511 0.392 7.382 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 78.439 0.587 7.249 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 77.499 -0.243 8.099 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 30.855 33.800 30.442 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 31.164 34.692 30.283 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 29.913 33.839 30.273 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 82.686 50.295 43.440 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 81.805 50.015 43.688 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 83.053 49.545 42.970 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 34.681 82.420 11.936 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 35.082 82.648 11.097 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 35.203 81.686 12.259 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 62.247 61.069 48.664 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 62.894 60.694 48.066 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 61.673 60.336 48.887 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 85.493 7.224 1.388 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 85.880 7.953 0.902 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 84.580 7.202 1.101 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 59.640 6.646 47.268 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 59.612 6.377 46.349 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 60.085 5.926 47.715 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 70.532 11.968 7.520 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 71.416 12.326 7.432 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 70.486 11.663 8.426 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 28.200 7.607 34.929 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 28.346 8.292 35.581 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 28.507 6.804 35.351 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 28.430 58.773 38.840 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 27.962 58.054 38.415 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 28.025 59.565 38.488 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 87.193 5.459 58.551 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 87.887 6.016 58.903 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 86.898 4.941 59.300 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 43.231 43.725 6.091 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 43.423 44.620 6.370 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 43.207 43.220 6.904 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 62.060 20.525 -19.116 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 63.009 20.605 -19.024 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 61.731 20.516 -18.217 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 62.743 24.543 30.016 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 61.889 24.970 30.087 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 62.981 24.332 30.919 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 52.443 72.680 59.933 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 51.507 72.841 60.045 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 52.489 71.840 59.476 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 89.557 19.275 49.200 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 89.904 20.156 49.338 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 89.214 19.290 48.306 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 40.675 5.656 55.416 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 41.334 5.989 54.807 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 40.224 6.438 55.733 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 37.162 18.071 -14.045 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 37.897 17.465 -14.137 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 36.749 18.080 -14.908 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 31.738 33.743 47.869 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 30.845 33.439 48.031 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 32.295 33.092 48.296 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 36.048 72.548 11.918 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 36.138 71.856 12.573 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 36.909 72.601 11.504 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 73.588 38.813 13.475 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 72.670 39.022 13.651 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 73.713 39.041 12.554 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 86.135 24.999 36.882 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 86.272 25.675 36.217 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 86.713 25.251 37.602 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 83.897 1.686 -19.273 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 83.320 2.444 -19.179 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 84.285 1.572 -18.406 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 81.712 33.597 36.252 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 81.713 32.686 36.548 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 82.295 34.048 36.863 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 40.563 21.480 40.798 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 41.288 20.871 40.655 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 40.894 22.097 41.450 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 66.790 43.945 59.244 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 67.409 44.671 59.326 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 67.331 43.197 58.988 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 81.564 35.010 19.757 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 81.085 35.781 19.455 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 81.810 34.551 18.954 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 46.711 88.767 3.964 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 47.621 88.897 4.233 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 46.553 87.832 4.095 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 25.427 52.843 58.363 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 25.233 52.775 59.298 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 24.665 52.455 57.932 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 81.701 38.427 -11.929 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 81.477 39.357 -11.968 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 82.318 38.358 -11.201 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 86.742 9.178 35.413 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 87.083 10.048 35.622 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 86.205 9.312 34.632 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 86.595 65.138 35.429 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 85.890 64.828 35.998 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 86.771 64.402 34.842 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 58.730 51.257 31.507 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 58.645 52.112 31.084 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 58.893 50.648 30.787 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 80.584 73.598 37.642 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 79.900 73.114 37.180 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 81.068 72.928 38.125 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 66.103 85.350 45.974 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 65.444 84.930 45.420 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 66.879 84.797 45.885 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 82.189 31.827 54.514 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 82.159 31.698 53.566 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 82.109 32.774 54.629 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 86.685 38.813 -2.083 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 86.810 38.495 -2.977 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 85.783 39.133 -2.065 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 37.234 56.141 -4.813 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 38.027 56.314 -4.304 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 36.542 56.609 -4.345 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 87.780 45.393 27.731 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 86.829 45.318 27.806 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 87.981 45.029 26.869 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 28.248 18.362 34.057 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 27.547 17.716 34.139 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 28.782 18.237 34.842 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 38.916 2.869 45.916 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 38.524 3.726 45.745 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 38.930 2.437 45.062 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 66.174 85.639 -10.060 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 66.440 86.458 -9.642 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 66.945 85.359 -10.552 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 50.441 13.145 42.758 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 51.380 13.141 42.942 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 50.157 12.249 42.940 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 54.227 0.566 -3.971 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 53.639 -0.144 -3.714 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 53.670 1.178 -4.451 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 63.807 28.003 42.528 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 64.099 28.360 43.367 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 62.971 28.438 42.360 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 32.096 71.965 39.095 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 32.993 72.239 38.907 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 31.903 71.302 38.431 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 89.421 36.808 -8.247 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 89.515 36.125 -7.583 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 90.319 37.067 -8.453 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 22.281 90.731 61.678 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 22.272 89.806 61.923 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 23.207 90.974 61.691 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 87.653 42.908 -12.917 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 86.738 43.142 -12.765 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 87.624 41.992 -13.194 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 48.520 9.154 -5.694 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 48.356 8.277 -6.041 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 48.032 9.182 -4.871 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 65.536 47.233 -13.637 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 66.332 47.677 -13.344 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 64.869 47.491 -13.000 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 82.659 13.868 -9.627 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 82.243 14.380 -10.321 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 83.394 13.432 -10.059 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 80.814 48.572 -15.293 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 80.206 48.747 -16.011 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 80.899 47.619 -15.278 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 33.064 45.835 -15.860 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 32.706 46.715 -15.976 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 33.609 45.693 -16.634 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 24.290 37.006 49.491 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 24.910 36.971 48.763 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 24.836 36.935 50.274 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 30.594 86.552 -2.006 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 31.447 86.659 -1.587 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 30.028 86.207 -1.316 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 76.814 6.133 -7.006 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 76.373 5.977 -6.170 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 76.561 7.023 -7.248 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 43.499 56.908 -2.851 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 44.080 57.642 -2.651 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 44.040 56.130 -2.714 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 85.486 54.321 26.551 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 85.985 55.138 26.562 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 85.577 53.997 25.655 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 75.339 59.861 40.814 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 74.712 60.582 40.870 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 74.807 59.097 40.589 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 69.550 83.312 64.527 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 69.896 83.868 63.829 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 69.978 82.466 64.395 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 80.378 88.900 1.458 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 79.491 88.549 1.541 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 80.656 88.644 0.579 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 62.861 30.619 -6.135 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 62.783 30.085 -5.345 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 62.213 31.314 -6.019 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 89.248 34.393 63.068 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 88.500 34.967 62.906 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 89.848 34.570 62.343 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 67.422 91.507 20.342 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 66.998 92.222 19.868 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 67.093 90.712 19.922 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 70.855 71.222 -11.254 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 70.554 70.648 -10.550 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 70.559 72.095 -10.994 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 37.888 51.511 27.993 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 38.708 52.006 27.999 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 37.648 51.435 28.917 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 79.291 4.652 44.971 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 79.538 4.792 44.057 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 78.335 4.623 44.960 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 42.727 46.748 64.533 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 42.357 46.561 63.671 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 42.794 47.703 64.564 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 26.129 49.228 63.352 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 25.884 49.610 64.194 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 26.753 49.850 62.978 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 83.083 94.493 -16.442 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 83.646 95.202 -16.131 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 83.227 94.469 -17.388 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 29.249 58.874 58.001 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 29.288 59.061 57.064 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 28.600 58.174 58.080 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 23.623 50.427 14.215 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 22.808 50.819 14.530 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 23.519 49.490 14.381 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 82.105 77.433 43.203 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 81.454 77.057 42.610 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 82.705 76.710 43.389 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 84.933 73.500 1.138 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 85.166 74.315 0.693 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 85.688 72.928 1.002 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 62.333 48.822 62.883 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 61.406 49.016 62.744 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 62.713 48.824 62.005 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 27.407 54.433 36.012 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 27.771 55.178 35.533 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 26.625 54.188 35.518 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 70.748 47.553 63.834 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 70.890 48.362 64.326 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 69.803 47.407 63.880 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 21.033 31.997 20.667 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 20.438 32.534 20.143 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 21.432 31.397 20.037 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 49.324 56.529 23.293 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 49.754 56.387 22.449 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 49.343 57.479 23.414 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 53.730 38.142 12.930 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 53.871 39.018 13.288 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 53.032 37.771 13.471 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 57.453 35.288 43.616 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 57.582 36.110 44.090 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 56.683 35.445 43.069 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 55.081 33.439 8.161 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 54.663 33.928 8.870 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 54.667 32.576 8.187 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 29.670 27.074 15.452 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 30.369 27.182 16.097 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 28.871 27.002 15.974 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 70.794 29.945 11.796 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 70.658 29.709 10.879 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 70.093 29.493 12.267 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 51.121 44.432 63.956 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 50.302 44.812 63.637 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 51.771 44.674 63.297 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 36.948 72.484 31.727 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 37.787 72.597 32.172 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 37.159 71.977 30.943 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 84.385 51.982 -4.625 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 84.655 51.278 -4.035 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 83.573 52.316 -4.244 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 22.222 89.500 39.391 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 22.781 90.227 39.663 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 22.760 88.720 39.525 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 42.340 77.036 -6.406 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 42.670 76.759 -5.552 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 42.859 77.810 -6.624 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 80.257 73.207 44.423 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 80.724 73.532 45.194 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 80.908 73.226 43.722 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 49.779 61.036 9.696 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 50.681 61.351 9.752 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 49.247 61.781 9.980 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 52.666 70.010 5.929 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 53.353 69.910 6.587 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 52.118 69.232 6.034 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 87.227 62.427 23.013 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 86.419 61.918 22.946 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 87.397 62.725 22.120 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 42.452 52.813 29.774 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 43.157 53.272 30.230 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 42.820 52.598 28.917 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 75.765 9.241 58.009 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 75.110 8.773 58.526 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 75.330 9.423 57.177 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 24.908 87.006 21.846 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 25.752 87.420 21.666 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 24.822 86.333 21.171 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 34.415 28.730 54.976 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 35.325 28.967 54.794 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 34.469 28.109 55.702 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 23.658 67.246 17.307 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 23.228 67.457 18.135 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 24.280 66.553 17.529 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 28.070 49.875 14.067 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 28.829 50.112 14.600 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 28.444 49.476 13.282 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 72.287 51.054 13.012 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 71.544 51.286 12.455 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 72.996 50.861 12.398 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 62.803 70.256 50.837 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 63.445 69.565 51.001 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 63.317 70.984 50.488 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 89.388 86.278 -13.331 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 88.871 85.585 -12.920 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 89.494 85.992 -14.238 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 67.484 47.114 3.142 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 67.682 46.650 3.956 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 66.846 46.557 2.697 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 24.889 42.249 7.392 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 25.259 42.856 8.034 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 24.041 42.629 7.164 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 80.548 47.551 63.849 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 80.762 48.450 63.599 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 79.602 47.561 63.991 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 58.858 51.102 1.573 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 58.527 51.921 1.940 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 58.103 50.716 1.128 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 41.105 24.999 -13.157 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 40.385 25.075 -13.784 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 41.632 24.271 -13.485 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 22.351 45.704 -5.195 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 22.937 45.280 -4.568 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 22.029 46.480 -4.736 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 56.444 76.904 -0.531 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 55.945 77.319 -1.235 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 55.902 77.023 0.250 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 22.334 34.425 40.840 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 22.906 33.849 40.332 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 22.617 35.309 40.608 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 74.944 36.792 7.135 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 74.044 36.829 7.457 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 75.373 36.145 7.696 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 82.870 82.187 37.073 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 82.269 81.554 37.465 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 82.680 82.151 36.136 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 57.191 54.061 -13.214 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 56.846 53.830 -12.351 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 57.930 54.640 -13.029 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 88.248 52.431 56.302 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 88.061 52.886 55.481 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 88.728 51.646 56.038 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 37.100 7.403 26.396 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 36.385 8.006 26.600 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 37.667 7.896 25.803 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 66.679 92.568 66.659 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 66.773 93.365 66.137 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 65.972 92.084 66.232 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 67.795 68.078 21.482 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 67.856 68.275 20.547 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 67.022 67.519 21.559 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 34.667 70.972 52.873 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 34.936 71.861 53.107 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 33.710 71.003 52.879 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 78.443 78.398 -7.880 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 77.611 78.357 -8.351 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 78.524 79.315 -7.615 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 52.792 84.589 38.182 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 53.489 85.217 38.371 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 52.912 84.368 37.259 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 22.507 19.940 -7.230 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 22.959 20.278 -6.457 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 23.167 19.962 -7.923 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 84.416 41.385 7.039 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 85.318 41.560 6.770 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 84.480 40.615 7.605 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 38.488 34.592 54.680 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 38.274 34.516 53.750 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 38.631 33.690 54.967 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 50.514 30.041 31.945 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 50.430 30.733 31.290 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 49.630 29.683 32.031 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 45.390 18.872 55.104 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 46.136 19.204 54.604 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 44.923 19.657 55.388 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 25.323 73.018 33.412 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 25.312 72.137 33.038 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 25.874 73.525 32.816 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 82.692 56.619 -1.738 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 82.802 56.729 -2.683 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 81.750 56.501 -1.618 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 78.609 83.457 22.418 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 78.206 82.733 22.897 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 79.450 83.109 22.120 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 35.603 82.166 16.966 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 35.383 81.984 16.052 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 35.509 81.322 17.408 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 34.909 65.280 11.847 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 35.270 66.075 11.455 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 35.574 65.000 12.477 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 73.697 45.571 44.657 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 73.899 45.457 43.729 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 74.549 45.707 45.073 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 44.399 77.897 -19.720 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 43.890 78.400 -19.085 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 45.109 78.484 -19.979 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 57.658 24.597 44.505 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 56.811 24.212 44.730 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 57.440 25.357 43.964 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 81.098 15.426 -11.213 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 80.887 16.166 -10.644 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 80.619 15.600 -12.023 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 60.597 71.874 55.002 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 60.734 70.961 55.255 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 60.899 71.920 54.095 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 72.109 65.249 -6.154 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 71.886 64.678 -5.419 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 71.306 65.297 -6.673 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 33.514 47.697 38.647 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 33.665 46.834 38.262 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 33.044 48.183 37.969 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 48.129 46.204 5.321 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 48.857 46.790 5.527 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 47.911 45.789 6.155 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 42.340 82.576 48.949 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 41.530 82.067 48.907 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 42.886 82.104 49.578 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 61.962 85.909 49.583 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 61.309 85.451 49.054 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 61.974 85.435 50.414 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 20.912 69.243 0.837 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 21.362 68.443 0.564 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 19.990 69.081 0.636 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 38.096 56.881 52.882 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 38.979 56.876 52.513 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 38.232 56.916 53.829 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 54.038 40.632 30.989 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 54.406 40.342 30.155 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 53.238 40.116 31.090 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 23.178 43.654 39.274 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 24.046 43.452 38.925 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 22.686 43.978 38.520 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 32.732 90.354 16.089 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 32.813 89.480 16.469 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 33.396 90.875 16.540 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 40.345 14.416 -12.474 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 40.625 14.945 -13.220 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 40.144 15.054 -11.789 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 85.363 71.857 56.529 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 86.004 71.150 56.465 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 85.699 72.539 55.947 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 80.758 43.430 19.338 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 81.636 43.129 19.102 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 80.818 44.385 19.317 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 57.008 6.054 24.718 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 57.861 5.785 25.058 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 57.051 7.010 24.690 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 75.783 47.878 30.593 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 75.370 48.598 31.069 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 75.097 47.214 30.521 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 36.113 20.168 5.918 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 35.775 21.064 5.923 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 36.752 20.157 5.205 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 73.639 16.918 -12.676 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 74.014 17.725 -13.028 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 73.869 16.246 -13.318 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 55.665 66.602 62.951 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 55.090 66.144 63.564 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 55.268 66.456 62.093 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 73.143 25.734 30.089 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 72.973 24.987 30.662 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 73.806 26.246 30.553 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 71.750 15.057 40.726 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 71.531 14.387 41.374 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 72.601 14.787 40.380 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 85.092 54.169 -12.898 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 85.331 55.035 -12.567 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 84.635 53.751 -12.168 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 70.041 32.945 33.217 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 69.566 32.134 33.398 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 69.359 33.577 32.990 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 52.669 60.683 17.647 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 52.070 60.417 18.344 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 52.128 60.698 16.857 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 24.186 78.683 29.244 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 23.881 77.839 29.578 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 23.746 78.780 28.400 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 67.903 54.436 65.717 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 68.582 55.023 66.048 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 67.297 55.009 65.247 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 81.702 80.730 2.990 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 82.561 80.708 3.412 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 81.272 81.500 3.361 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 67.291 46.635 11.078 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 66.550 47.241 11.052 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 67.094 46.048 11.808 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 33.778 96.538 -6.636 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 34.503 96.482 -7.259 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 32.995 96.385 -7.165 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 43.575 42.193 49.706 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 43.670 41.733 48.872 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 43.357 43.092 49.460 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 85.470 17.237 49.908 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 85.230 16.537 49.302 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 86.422 17.171 49.987 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 42.725 13.809 -11.166 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 42.579 13.769 -10.221 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 41.867 13.626 -11.550 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 44.007 31.594 66.300 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 43.832 31.239 67.171 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 44.105 32.536 66.439 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 57.906 8.507 24.995 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 57.819 9.303 25.519 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 58.271 8.806 24.162 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 70.633 68.504 -3.160 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 69.768 68.420 -3.561 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 70.503 68.237 -2.250 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 77.891 15.848 46.231 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 78.530 15.337 45.733 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 77.081 15.342 46.171 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 23.059 58.179 11.305 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 22.168 57.830 11.273 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 23.591 57.451 11.625 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 48.734 70.903 -19.116 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 49.390 71.288 -18.536 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 48.512 70.067 -18.707 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 75.605 57.044 -5.572 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 76.119 57.139 -6.374 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 75.799 56.158 -5.266 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 78.568 64.319 6.984 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 79.174 63.943 6.345 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 78.071 64.970 6.489 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 33.987 80.052 17.709 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 33.878 79.349 17.068 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 33.754 79.651 18.546 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 86.939 63.172 30.125 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 87.192 64.058 30.386 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 87.770 62.719 29.979 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 27.172 16.222 47.239 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 26.841 16.736 46.502 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 28.031 16.598 47.427 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 24.299 64.297 29.826 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 23.653 63.977 29.197 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 24.886 64.849 29.309 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 30.453 69.321 28.914 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 30.592 69.591 28.007 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 31.222 69.647 29.382 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 77.569 67.477 7.632 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 78.057 67.479 6.809 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 77.828 66.662 8.062 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 70.299 89.100 3.316 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 70.264 88.187 3.033 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 69.851 89.108 4.162 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 25.115 90.087 1.321 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 25.363 89.886 2.223 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 24.334 90.634 1.403 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 64.228 27.295 21.861 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 63.828 26.746 21.186 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 63.636 28.042 21.945 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 24.011 70.914 19.902 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 24.793 70.500 19.537 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 23.672 70.277 20.531 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 37.473 38.240 35.977 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 38.138 37.954 35.350 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 36.662 38.270 35.470 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 79.732 18.690 10.426 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 79.226 17.897 10.252 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 79.192 19.190 11.038 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 30.577 30.424 22.891 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 29.792 29.929 22.655 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 31.297 29.939 22.487 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 72.531 76.092 2.031 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 72.951 75.268 2.277 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 71.792 75.830 1.482 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 68.900 73.076 15.545 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 69.508 73.433 16.193 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 68.033 73.221 15.924 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 34.918 41.646 17.930 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 35.480 41.302 17.236 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 34.632 40.871 18.414 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 68.713 18.580 12.273 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 68.699 18.318 11.353 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 67.792 18.707 12.501 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 53.112 66.949 9.012 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 53.788 66.280 9.118 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 52.766 67.084 9.894 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 58.943 67.134 21.353 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 59.079 66.559 20.600 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 59.622 66.876 21.977 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 33.696 63.643 -12.224 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 32.970 63.156 -12.613 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 34.301 62.968 -11.916 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 75.817 32.249 1.428 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 75.089 32.324 2.045 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 75.399 32.088 0.582 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 67.007 60.938 23.196 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 66.547 60.486 23.903 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 66.331 61.110 22.540 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 40.689 39.395 38.866 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 40.479 40.260 38.512 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 41.645 39.383 38.918 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 32.260 86.256 5.302 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 31.655 85.936 5.971 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 33.129 86.105 5.671 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 85.587 18.883 44.477 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 84.920 19.407 44.920 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 85.587 19.205 43.576 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 48.893 5.698 52.967 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 48.575 4.814 52.781 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 49.685 5.785 52.437 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 65.400 65.196 46.349 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 65.397 65.257 45.394 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 64.808 64.469 46.545 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 76.429 7.232 38.015 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 76.966 6.472 37.793 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 75.575 6.864 38.241 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 68.270 56.384 -3.410 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 68.849 55.780 -2.946 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 67.769 56.816 -2.718 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 60.421 5.667 2.235 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 60.877 5.266 1.496 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 60.542 6.609 2.109 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 78.711 3.589 35.008 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 79.469 3.192 35.438 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 78.231 2.849 34.636 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 61.344 17.761 23.274 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 61.725 18.165 22.494 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 60.902 18.480 23.726 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 75.568 42.306 15.294 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 75.049 42.568 16.054 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 74.933 41.913 14.694 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 24.979 89.910 -18.316 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 24.894 90.801 -18.654 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 25.482 90.007 -17.507 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 85.592 76.643 -4.295 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 84.920 76.057 -3.946 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 85.710 76.359 -5.201 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 37.138 83.928 63.810 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 37.548 83.309 63.206 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 36.203 83.873 63.611 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 21.088 52.063 5.328 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 20.925 52.489 6.170 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 20.553 51.270 5.352 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 62.836 52.947 5.008 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 62.288 53.666 5.323 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 62.737 52.262 5.670 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 74.637 92.015 5.499 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 74.712 92.499 6.322 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 74.413 91.123 5.765 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 84.505 6.052 37.913 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 83.710 6.042 37.379 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 84.754 5.131 37.989 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 65.872 30.856 -10.395 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 66.596 31.446 -10.187 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 65.142 31.174 -9.864 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 56.399 32.395 12.290 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 56.875 32.913 11.641 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 55.569 32.858 12.404 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 31.224 8.806 46.025 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 30.501 9.426 46.123 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 31.305 8.394 46.886 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 88.365 62.586 64.415 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 87.717 62.778 63.737 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 88.322 61.636 64.527 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 76.805 91.174 29.252 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 76.841 91.642 28.418 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 76.257 90.409 29.074 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 66.641 33.893 -8.336 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 66.818 34.530 -7.644 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 67.428 33.907 -8.882 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 65.355 47.700 51.397 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 65.667 48.526 51.766 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 65.818 47.621 50.562 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 48.798 78.501 -9.458 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 48.719 77.558 -9.309 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 48.740 78.887 -8.584 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 51.714 38.197 36.865 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 51.956 37.904 35.987 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 52.186 39.022 36.982 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 67.328 44.090 0.394 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 67.707 43.249 0.648 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 66.604 44.222 1.005 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 68.671 93.910 28.342 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 67.764 93.655 28.515 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 69.184 93.131 28.557 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 30.587 58.292 13.720 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 30.508 57.755 12.932 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 30.478 57.674 14.443 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 81.954 67.040 44.159 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 81.212 67.589 43.908 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 81.695 66.155 43.903 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 50.779 38.108 -10.156 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 50.317 38.034 -10.991 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 51.411 37.389 -10.166 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 62.681 7.694 -10.410 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 63.060 6.830 -10.572 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 62.053 7.551 -9.702 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 73.580 56.810 9.312 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 73.052 56.243 9.875 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 73.153 57.665 9.364 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 20.360 66.823 9.441 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 19.966 66.606 8.595 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 20.889 67.601 9.267 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 68.613 96.580 -9.388 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 68.433 95.783 -8.890 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 67.750 96.900 -9.648 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 64.635 96.237 19.439 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 63.738 96.480 19.209 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 64.545 95.705 20.230 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 28.445 63.413 2.020 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 29.302 63.788 2.223 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 28.383 62.640 2.581 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 50.055 57.739 44.189 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 49.577 58.563 44.094 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 50.974 57.979 44.070 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 88.718 52.453 20.890 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 87.839 52.248 20.573 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 89.237 51.677 20.677 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 24.382 33.467 -2.616 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 24.485 34.300 -2.155 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 25.187 33.373 -3.125 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 50.440 16.419 23.315 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 49.639 16.939 23.386 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 51.148 17.048 23.454 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 20.952 58.700 39.997 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 21.168 59.547 40.388 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 20.158 58.866 39.488 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 65.148 56.116 16.779 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 65.457 56.355 15.906 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 64.403 55.536 16.620 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 79.337 34.990 37.745 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 80.126 34.465 37.884 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 79.228 35.478 38.561 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 30.140 69.638 4.742 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 30.947 69.131 4.834 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 30.363 70.507 5.076 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 49.573 96.144 1.261 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 50.069 95.744 1.976 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 48.821 95.565 1.137 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 76.836 18.510 1.024 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 76.584 17.587 0.981 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 77.751 18.522 0.743 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 20.621 15.287 43.809 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 21.462 15.498 44.215 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 20.051 15.056 44.542 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 21.092 36.138 -13.204 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 20.926 35.196 -13.185 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 20.865 36.439 -12.324 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 28.129 29.855 40.127 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 28.579 29.671 39.302 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 27.399 29.235 40.145 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 57.774 92.453 60.158 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 58.535 91.905 59.966 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 57.041 92.002 59.738 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 57.303 62.475 -15.927 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 56.624 61.849 -15.674 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 57.943 62.435 -15.216 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 34.936 51.276 44.737 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 35.612 51.682 44.195 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 35.346 51.177 45.596 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 69.710 21.089 38.484 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 69.116 20.434 38.850 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 70.315 20.586 37.939 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 79.982 88.088 32.925 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 79.116 88.480 33.035 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 80.439 88.680 32.328 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 70.341 45.018 27.927 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 70.241 45.966 28.013 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 70.742 44.896 27.067 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 28.629 19.460 23.363 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 29.071 18.826 23.928 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 28.412 20.189 23.945 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 38.237 40.531 -17.771 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 37.790 40.117 -18.510 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 37.563 41.066 -17.352 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 26.223 27.230 21.227 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 26.930 27.746 21.615 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 25.571 27.878 20.961 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 42.005 7.002 6.481 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 42.544 6.980 7.272 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 41.218 7.480 6.741 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 42.326 48.460 49.234 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 42.339 49.285 49.719 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 42.895 48.617 48.479 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 41.887 38.839 15.801 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 42.320 38.574 16.612 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 42.360 38.373 15.112 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 26.001 5.395 26.576 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 26.726 4.861 26.252 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 25.242 5.098 26.075 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 73.264 39.280 46.692 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 73.248 40.222 46.523 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 74.175 39.093 46.921 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 20.958 95.972 49.096 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 20.295 96.306 49.700 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 20.578 95.168 48.743 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 53.936 14.107 57.728 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 54.658 14.619 57.363 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 53.151 14.606 57.503 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 51.365 22.331 42.131 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 50.863 22.915 42.699 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 51.624 21.606 42.700 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 48.415 26.194 -9.957 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 48.562 26.031 -9.026 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 49.086 25.675 -10.401 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 62.449 96.101 49.845 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 62.139 95.200 49.749 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 63.349 96.082 49.519 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 31.898 16.301 42.651 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 32.502 16.320 41.909 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 32.180 15.548 43.171 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 90.599 55.172 24.032 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 90.099 54.378 23.844 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 90.248 55.826 23.427 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 90.429 50.387 56.227 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 90.616 51.080 55.594 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 90.226 49.621 55.691 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 54.059 28.698 12.806 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 53.224 28.962 13.192 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 53.966 28.894 11.874 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 71.505 28.564 14.745 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 70.852 28.799 15.405 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 72.099 29.315 14.717 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 77.690 51.856 57.068 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 77.139 51.305 57.624 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 77.073 52.308 56.492 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 71.172 89.110 -7.043 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 71.291 88.839 -7.954 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 70.752 88.360 -6.623 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 70.460 71.650 13.728 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 69.986 70.876 13.425 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 69.804 72.165 14.197 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 48.986 24.842 42.889 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 49.273 25.703 42.586 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 49.247 24.812 43.810 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 38.202 24.217 10.640 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 37.481 24.711 11.030 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 38.295 24.581 9.760 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 52.293 92.799 50.261 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 52.296 91.847 50.361 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 52.968 92.973 49.604 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 87.841 96.788 -2.864 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 87.110 96.200 -2.673 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 88.430 96.269 -3.411 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 33.036 93.486 50.237 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 33.095 92.539 50.112 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 33.775 93.841 49.742 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 32.942 45.249 36.674 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 32.045 45.481 36.433 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 33.200 44.587 36.032 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 41.836 36.293 56.408 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 41.360 35.932 55.660 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 41.911 37.228 56.216 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 72.912 77.373 56.831 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 72.870 77.200 55.891 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 73.245 78.268 56.895 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 47.216 49.235 52.138 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 47.349 49.987 52.716 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 47.653 49.479 51.322 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 61.949 90.723 60.429 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 61.276 90.271 59.920 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 62.674 90.842 59.815 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 55.639 87.572 17.498 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 56.093 88.149 16.885 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 56.207 87.547 18.268 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 25.214 55.892 29.685 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 24.440 55.718 29.148 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 25.946 55.563 29.165 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 47.717 13.088 -5.282 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 48.189 12.925 -4.465 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 48.251 12.667 -5.956 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 29.356 79.930 -0.871 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 29.720 79.180 -0.400 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 30.103 80.309 -1.333 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 31.445 37.005 55.077 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 31.120 36.113 54.957 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 31.334 37.418 54.220 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 30.504 82.484 30.215 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 29.799 82.781 30.790 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 30.080 82.338 29.370 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 69.280 71.300 50.592 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 68.574 71.946 50.623 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 69.294 71.003 49.682 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 30.601 30.094 8.090 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 29.802 29.848 7.624 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 30.952 30.833 7.593 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 47.162 45.900 7.922 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 47.716 45.702 8.677 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 46.519 46.527 8.254 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 22.858 51.901 46.931 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 22.370 52.299 46.210 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 23.721 51.713 46.561 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 90.158 22.068 55.414 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 90.162 23.020 55.312 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 91.067 21.844 55.612 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 46.341 68.541 3.057 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 47.206 68.693 3.438 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 46.194 67.601 3.161 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 90.268 10.981 42.772 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 90.063 10.087 42.498 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 90.884 11.299 42.112 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 69.314 10.035 5.292 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 69.640 10.621 5.975 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 70.029 9.415 5.147 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 58.651 82.626 23.358 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 57.863 82.264 23.765 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 59.055 81.880 22.915 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 27.980 21.698 17.189 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 27.309 22.303 16.873 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 28.191 22.011 18.068 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 45.856 22.341 64.235 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 46.034 22.240 63.300 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 45.094 22.919 64.273 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 74.930 36.870 2.393 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 74.625 36.061 2.804 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 75.323 36.586 1.568 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 70.817 3.476 63.935 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 69.880 3.405 63.756 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 70.944 2.986 64.747 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 63.430 61.992 -8.131 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 63.647 62.130 -7.209 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 62.903 61.192 -8.136 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 77.078 36.082 45.574 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 77.300 37.010 45.648 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 77.923 35.640 45.491 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 71.040 44.488 15.195 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 70.979 44.344 14.251 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 70.162 44.772 15.452 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 66.971 32.615 24.356 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 66.876 33.474 23.943 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 67.765 32.249 23.966 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 47.555 32.800 67.493 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 47.345 31.930 67.152 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 48.233 33.131 66.904 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 54.005 21.901 -19.837 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 53.895 22.831 -19.641 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 53.133 21.605 -20.098 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 48.554 37.861 14.991 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 48.131 37.007 14.900 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 48.746 37.935 15.926 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 87.585 80.204 -13.771 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 87.531 79.996 -12.838 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 87.871 79.389 -14.183 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 79.668 78.645 34.784 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 80.374 78.276 35.314 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 79.287 79.329 35.334 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 51.023 7.721 12.618 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 51.360 7.157 13.314 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 51.584 8.496 12.645 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 24.364 37.193 28.089 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 24.163 36.846 27.220 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 25.145 36.713 28.364 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 62.389 27.878 57.720 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 61.628 28.387 57.999 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 62.046 27.273 57.063 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 22.489 41.296 27.505 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 22.717 40.392 27.290 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 21.767 41.220 28.129 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 40.966 95.710 45.422 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 40.293 95.623 44.747 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 41.455 96.495 45.175 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 22.568 74.259 6.539 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 23.083 74.005 7.305 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 22.173 75.096 6.783 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 63.132 38.374 -3.067 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 62.245 38.663 -2.855 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 63.171 37.470 -2.757 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 23.691 93.121 35.787 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 22.839 93.069 35.354 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 23.507 92.915 36.704 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 81.572 12.088 -15.788 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 82.142 11.905 -16.535 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 80.897 11.410 -15.829 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 22.354 29.061 52.566 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 22.796 29.682 51.987 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 21.471 28.983 52.204 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 28.220 48.619 29.792 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 28.232 47.665 29.716 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 27.340 48.871 29.512 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 80.836 29.888 52.464 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 81.668 29.423 52.373 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 80.949 30.685 51.946 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 78.654 39.736 5.237 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 79.020 40.486 5.706 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 78.873 38.981 5.783 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 65.492 75.959 2.562 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 64.809 75.288 2.541 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 65.952 75.808 3.387 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 27.165 75.423 -12.107 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 28.009 75.874 -12.078 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 26.781 75.577 -11.244 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 72.386 28.531 -18.980 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 72.402 28.780 -19.904 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 72.903 27.727 -18.939 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 51.457 33.480 37.019 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 50.663 32.955 36.921 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 51.168 34.269 37.477 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 65.556 59.599 -6.103 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 65.768 59.643 -5.171 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 64.898 60.282 -6.231 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 52.537 65.479 57.344 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 53.450 65.468 57.631 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 52.499 64.830 56.641 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 32.301 13.507 -6.855 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 31.616 12.866 -7.042 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 32.315 14.074 -7.626 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 39.458 66.449 14.546 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 39.954 66.229 13.757 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 39.868 65.931 15.239 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 39.484 81.432 17.317 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 40.231 80.905 17.601 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 38.782 81.201 17.926 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 55.622 2.365 -17.301 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 55.483 3.196 -16.848 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 54.741 2.034 -17.472 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 62.104 34.841 13.798 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 61.267 34.919 14.256 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 62.035 35.455 13.066 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 50.850 37.541 48.692 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 50.382 38.328 48.972 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 50.597 37.424 47.776 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 69.531 40.736 27.093 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 68.943 40.158 26.606 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 68.967 41.444 27.405 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 85.171 64.769 10.211 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 85.049 64.365 9.352 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 84.892 64.097 10.834 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 27.493 51.201 -17.460 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 27.923 51.998 -17.150 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 26.581 51.298 -17.185 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 29.007 73.483 62.833 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 28.832 72.694 63.346 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 28.175 73.676 62.400 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 67.377 80.002 -7.378 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 67.863 79.609 -6.653 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 67.132 79.261 -7.932 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 67.344 35.889 47.562 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 67.126 36.711 47.124 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 68.300 35.890 47.612 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 64.431 30.735 59.593 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 63.562 30.335 59.620 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 64.287 31.595 59.198 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 28.139 7.671 55.765 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 28.709 7.044 56.210 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 28.086 7.351 54.865 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 70.227 93.519 18.471 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 69.770 92.891 17.911 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 69.772 94.348 18.322 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 89.458 64.509 1.711 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 89.425 65.417 2.011 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 89.914 64.041 2.410 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 38.548 0.677 15.610 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 37.638 0.890 15.817 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 38.656 -0.228 15.901 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 88.695 51.748 48.158 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 87.766 51.852 48.368 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 88.881 50.828 48.345 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 67.279 71.793 53.743 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 67.846 71.457 54.437 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 66.677 71.072 53.554 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 60.033 64.836 30.879 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 59.168 64.431 30.948 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 59.866 65.775 30.963 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 82.182 11.630 -5.337 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 81.241 11.775 -5.237 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 82.569 12.501 -5.251 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 30.552 30.976 50.701 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 30.301 31.848 50.395 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 30.082 30.867 51.528 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 82.523 42.970 31.603 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 81.745 42.736 32.110 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 83.253 42.837 32.208 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 21.126 7.442 51.310 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 20.331 7.046 50.953 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 21.765 7.380 50.600 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 30.859 42.886 52.866 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 30.848 42.497 51.991 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 31.692 42.606 53.243 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 58.466 59.900 28.577 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 58.964 59.511 27.858 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 57.612 60.104 28.195 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 31.049 92.707 5.494 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 30.793 92.955 6.382 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 30.310 92.196 5.165 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 66.675 37.070 28.280 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 67.084 36.211 28.169 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 66.733 37.476 27.416 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 83.910 33.746 61.173 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 83.714 33.713 62.110 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 84.387 34.568 61.057 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 60.179 69.173 36.703 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 60.686 68.379 36.536 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 59.495 69.167 36.033 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 38.792 67.932 34.610 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 39.553 67.573 35.066 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 39.106 68.751 34.228 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 86.194 34.510 18.240 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 85.682 34.643 19.039 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 86.453 33.590 18.271 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 46.306 27.403 -7.684 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 47.164 27.281 -8.090 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 46.352 26.903 -6.869 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 44.209 42.961 -6.035 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 43.691 43.526 -5.462 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 44.424 42.202 -5.493 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 67.992 10.728 -12.580 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 68.254 11.604 -12.297 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 68.132 10.175 -11.810 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 55.707 50.451 -17.310 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 54.963 50.385 -16.711 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 56.473 50.492 -16.738 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 54.292 61.702 23.224 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 53.984 62.023 22.376 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 54.616 60.820 23.044 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 33.333 21.391 45.590 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 34.171 21.030 45.881 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 33.119 20.894 44.800 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 78.467 93.992 53.998 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 79.360 93.804 54.286 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 78.427 94.948 53.951 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 37.696 89.982 42.034 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 38.367 89.989 42.716 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 37.506 89.054 41.894 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 48.838 81.067 58.140 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 49.657 80.582 58.040 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 48.415 80.670 58.901 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 62.755 9.103 43.961 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 62.332 9.732 44.546 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 62.445 8.249 44.262 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 83.044 19.488 0.924 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 83.963 19.718 1.059 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 82.558 20.262 1.211 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 63.388 47.103 37.393 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 62.796 46.979 36.651 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 64.073 46.447 37.266 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 72.018 34.255 44.191 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 71.298 34.083 44.798 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 72.575 33.478 44.254 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 22.823 55.997 15.674 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 23.770 56.131 15.644 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 22.473 56.829 15.992 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 87.702 14.361 56.446 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 87.013 14.778 55.929 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 88.286 15.078 56.691 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 28.360 21.479 31.062 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 29.139 20.995 30.787 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 28.107 21.985 30.290 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 54.106 37.416 7.701 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 54.876 37.709 8.190 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 53.687 38.224 7.407 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 62.154 10.638 53.402 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 63.109 10.662 53.345 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 61.865 11.398 52.896 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 62.233 20.676 38.038 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 61.876 21.561 37.964 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 61.500 20.102 37.819 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 47.146 30.483 65.879 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 47.890 30.251 65.324 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 46.446 30.702 65.264 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 43.225 78.829 29.916 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 43.304 79.627 29.393 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 43.175 78.124 29.271 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 48.948 25.373 -2.608 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 48.745 26.308 -2.630 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 49.022 25.164 -1.677 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 50.462 8.525 5.328 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 49.644 8.637 5.812 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 50.499 7.589 5.132 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 55.215 47.489 -4.454 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 54.729 47.892 -3.735 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 56.101 47.841 -4.373 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 31.200 1.317 51.547 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 31.424 2.246 51.604 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 32.042 0.873 51.445 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 67.370 0.934 39.017 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 68.080 0.854 38.379 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 67.027 0.045 39.106 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 73.036 61.187 55.588 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 72.158 61.101 55.216 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 72.891 61.257 56.532 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 45.031 16.036 24.178 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 45.799 15.909 23.621 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 44.547 16.749 23.760 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 45.476 19.377 58.087 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 46.110 18.950 57.512 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 45.912 20.180 58.371 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 22.812 29.381 6.562 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 22.072 29.748 6.077 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 23.547 29.956 6.349 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 24.198 95.226 50.977 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 24.813 95.086 50.257 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 24.473 96.054 51.370 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 46.643 78.807 28.140 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 47.328 78.140 28.186 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 45.836 78.312 28.001 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 83.521 59.833 0.239 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 83.093 59.485 1.021 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 83.898 60.666 0.522 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 30.338 7.412 32.575 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 29.393 7.260 32.573 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 30.438 8.308 32.252 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 31.658 9.499 8.828 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 32.353 8.848 8.925 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 30.986 9.227 9.453 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 50.240 1.838 -16.664 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 50.102 1.625 -15.741 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 50.431 2.776 -16.667 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 51.699 1.218 9.608 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 51.806 1.370 8.669 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 51.840 2.076 10.007 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 72.738 51.995 33.189 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 72.443 52.861 33.468 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 72.814 51.494 34.001 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 71.886 19.112 37.660 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 71.685 18.894 36.750 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 71.658 18.322 38.151 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 84.046 22.329 -17.842 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 84.907 22.747 -17.865 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 84.228 21.418 -17.612 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 83.834 0.545 10.298 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 84.059 1.357 10.751 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 83.434 0.831 9.476 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 25.799 19.173 12.856 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 26.057 18.484 13.468 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 25.341 18.712 12.153 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 20.676 29.074 42.206 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 20.237 28.455 41.623 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 20.798 29.860 41.674 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 28.049 70.585 45.153 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 28.068 69.804 45.706 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 28.634 70.377 44.424 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 74.224 71.732 21.293 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 73.353 71.881 21.661 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 74.216 70.815 21.020 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 39.855 88.411 -14.194 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 40.419 88.641 -14.933 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 38.970 88.619 -14.495 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 25.124 58.181 -9.903 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 26.062 58.098 -10.074 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 25.070 58.722 -9.115 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 50.305 89.680 -17.891 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 50.506 89.085 -17.169 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 49.563 90.197 -17.576 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 66.162 13.856 23.842 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 66.730 14.273 23.195 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 65.911 14.565 24.434 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 48.889 66.236 -19.382 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 49.762 66.545 -19.141 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 49.046 65.579 -20.060 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 24.175 45.609 63.569 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 24.122 44.787 64.057 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 24.835 46.122 64.034 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 64.159 3.385 50.204 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 64.591 4.091 50.684 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 64.867 2.785 49.970 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 64.809 39.463 46.264 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 65.383 39.316 47.016 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 63.959 39.120 46.541 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 23.573 43.370 64.965 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 22.637 43.211 65.085 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 23.810 42.844 64.201 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 32.453 54.702 40.007 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 32.981 54.208 39.380 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 31.884 55.247 39.464 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 64.341 44.959 32.024 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 63.487 44.883 32.451 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 64.138 45.013 31.090 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 30.247 88.069 14.435 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 30.658 88.813 13.995 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 30.966 87.458 14.596 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 88.322 75.951 10.604 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 89.236 76.134 10.384 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 87.931 75.661 9.780 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 25.778 32.916 61.284 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 25.605 33.726 60.803 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 25.039 32.832 61.886 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 23.618 43.998 15.503 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 23.603 43.078 15.240 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 24.051 43.996 16.357 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 55.882 29.516 17.669 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 55.139 29.092 18.099 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 55.547 30.372 17.401 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 68.054 89.001 4.606 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 67.655 89.499 3.892 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 67.688 88.121 4.517 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 67.102 24.434 -12.481 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 66.337 23.904 -12.256 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 67.370 24.831 -11.653 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 27.779 78.259 9.518 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 28.647 78.609 9.720 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 27.462 77.910 10.351 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 83.439 68.933 31.689 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 84.156 69.512 31.947 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 82.645 69.437 31.870 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 76.130 40.283 53.765 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 75.560 40.444 53.013 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 75.778 39.490 54.169 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 85.264 41.195 55.701 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 85.592 41.736 56.420 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 84.643 41.760 55.240 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 43.714 91.877 4.261 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 44.105 91.713 5.119 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 42.995 91.249 4.201 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 88.092 29.372 -11.564 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 87.418 29.014 -12.142 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 88.784 29.666 -12.156 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 46.335 55.015 9.223 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 46.399 55.551 10.013 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 46.305 54.114 9.545 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 57.365 62.386 39.231 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 56.748 61.764 38.846 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 57.307 63.160 38.671 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 44.919 92.725 20.422 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 45.056 92.039 19.768 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 44.817 92.252 21.248 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 88.907 72.668 -0.662 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 89.745 72.952 -1.026 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 88.730 71.831 -1.090 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 56.838 45.232 -17.266 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 57.384 44.516 -16.943 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 57.431 45.769 -17.791 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 79.158 33.422 46.579 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 79.880 34.026 46.403 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 78.809 33.207 45.714 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 87.074 9.347 58.051 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 87.284 10.281 58.056 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 86.984 9.127 57.124 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 70.311 33.383 30.437 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 70.704 34.246 30.568 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 70.361 32.964 31.296 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 89.642 85.503 24.047 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 89.970 86.124 24.697 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 88.722 85.376 24.278 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 87.657 32.848 42.827 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 88.213 32.582 43.559 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 87.092 32.091 42.667 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 20.884 46.706 36.627 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 21.513 46.072 36.281 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 20.798 47.361 35.935 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 47.748 69.435 -11.539 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 48.495 69.117 -11.032 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 47.131 68.703 -11.541 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 78.721 0.983 -3.440 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 79.036 1.563 -4.133 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 79.268 1.194 -2.683 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 26.350 59.751 35.236 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 26.209 58.948 35.738 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 26.684 59.449 34.391 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 61.911 78.893 47.082 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 61.619 79.069 46.188 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 61.177 78.431 47.488 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 76.413 63.989 23.726 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 76.337 63.768 22.797 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 75.792 63.406 24.163 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 90.317 71.904 20.750 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 90.351 71.613 19.839 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 89.468 72.337 20.833 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 44.707 42.239 58.507 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 44.896 43.177 58.487 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 44.750 42.005 59.434 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 64.037 81.794 0.744 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 64.756 81.464 0.206 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 64.421 81.911 1.613 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 54.964 22.939 58.334 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 55.269 23.813 58.577 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 55.621 22.619 57.717 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 86.626 43.519 31.195 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 86.174 43.315 30.376 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 86.451 44.448 31.341 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 74.245 56.423 21.109 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 73.513 55.998 21.556 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 73.917 57.294 20.887 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 79.556 30.651 35.930 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 78.942 31.259 36.342 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 80.416 31.047 36.068 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 44.246 33.758 2.032 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 44.479 34.499 2.592 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 45.046 33.567 1.542 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 38.552 33.415 12.103 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 37.871 33.664 12.729 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 39.344 33.842 12.429 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 34.841 76.809 17.407 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 34.356 77.382 18.002 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 34.343 76.835 16.590 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 60.519 31.153 54.879 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 59.990 30.557 55.409 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 60.030 31.244 54.061 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 66.428 11.307 24.387 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 66.095 11.069 25.252 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 66.305 12.255 24.335 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 62.319 59.701 57.498 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 62.362 60.197 56.681 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 62.119 58.805 57.225 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 78.225 36.261 66.880 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 77.457 36.231 67.451 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 78.968 36.144 67.472 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 37.851 45.448 10.362 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 37.864 46.348 10.035 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 38.005 45.531 11.303 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 59.364 82.700 45.862 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 59.865 82.396 45.104 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 58.452 82.665 45.576 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 86.029 8.281 38.043 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 85.623 7.429 37.878 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 86.191 8.641 37.171 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 42.419 17.189 46.206 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 43.307 17.296 45.865 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 42.127 18.080 46.399 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 41.031 3.602 48.946 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 41.737 3.380 48.339 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 41.456 3.654 49.801 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 40.008 92.022 6.668 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 40.476 92.547 6.019 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 40.681 91.460 7.053 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 32.436 51.142 39.809 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 32.210 51.992 40.185 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 32.146 51.198 38.898 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 29.211 36.387 66.580 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 29.423 35.925 65.769 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 30.054 36.502 67.019 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 47.704 21.866 -2.069 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 48.476 22.229 -2.502 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 47.243 21.389 -2.759 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 89.379 40.710 -10.035 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 90.256 41.079 -9.927 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 89.454 40.129 -10.792 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 42.375 8.063 11.384 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 42.324 8.575 12.192 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 41.782 8.509 10.780 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 90.679 47.732 28.520 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 91.140 48.000 27.725 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 90.113 48.474 28.731 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 85.338 79.628 49.852 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 85.990 79.022 50.204 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 85.492 79.624 48.908 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 44.618 56.585 16.304 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 45.115 57.183 16.862 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 44.639 55.748 16.770 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 77.919 34.951 -2.971 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 78.027 35.030 -3.919 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 78.548 35.572 -2.606 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 21.090 26.118 -13.814 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 21.807 25.711 -13.327 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 21.410 26.169 -14.714 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 71.895 41.579 9.969 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 71.670 42.435 9.604 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 71.479 41.568 10.831 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 71.318 0.638 18.200 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 71.964 1.093 18.741 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 70.488 0.768 18.658 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 27.899 5.663 -7.210 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 27.679 4.811 -6.834 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 27.321 5.746 -7.969 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 87.112 20.698 60.741 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 87.606 20.182 60.103 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 87.685 21.437 60.947 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 91.029 40.156 20.816 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 90.716 41.002 21.136 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 90.241 39.616 20.754 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 22.058 4.790 38.795 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 21.453 4.532 39.490 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 22.303 3.966 38.373 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 48.816 33.984 42.997 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 49.723 33.905 43.292 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 48.793 34.806 42.506 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 47.471 23.025 -12.540 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 48.214 23.287 -11.997 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 46.864 22.607 -11.931 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 33.497 53.558 54.997 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 32.862 53.978 55.578 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 33.725 54.236 54.361 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 61.077 33.222 56.849 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 60.185 33.500 57.056 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 60.966 32.482 56.253 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 49.056 38.497 -7.161 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 50.001 38.380 -7.069 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 48.791 38.953 -6.362 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 89.276 36.690 31.790 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 89.452 37.052 30.921 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 89.027 37.447 32.320 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 46.284 13.528 50.421 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 46.152 12.705 49.950 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 46.369 14.188 49.733 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 55.037 58.867 63.507 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 55.322 58.098 63.014 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 54.771 58.522 64.359 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 67.306 21.578 45.905 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 67.239 22.030 45.063 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 67.886 22.131 46.428 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 66.194 40.507 -10.842 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 66.704 40.054 -11.514 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 65.491 40.941 -11.327 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 39.944 76.110 32.657 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 40.298 76.460 33.474 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 39.756 75.191 32.851 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 74.468 64.288 30.151 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 73.829 65.002 30.148 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 73.940 63.494 30.075 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 31.042 9.152 50.281 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 30.522 8.354 50.185 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 31.753 8.904 50.872 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 49.439 80.896 42.928 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 49.712 81.054 43.832 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 49.094 80.003 42.934 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 90.081 35.907 39.751 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 90.978 36.016 40.067 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 89.570 36.539 40.257 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 72.610 51.005 15.573 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 71.789 50.657 15.921 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 72.476 51.035 14.626 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 89.506 20.110 36.406 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 89.920 20.949 36.203 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 88.580 20.323 36.527 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 74.747 39.795 23.505 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 74.778 39.290 22.693 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 73.923 40.280 23.455 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 53.316 95.110 -2.693 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 52.663 94.469 -2.971 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 53.979 94.595 -2.234 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 86.945 30.805 14.943 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 86.859 30.980 14.005 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 86.194 30.250 15.153 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 89.150 73.779 63.120 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 89.607 74.467 63.604 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 89.094 73.049 63.737 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 70.215 64.537 45.920 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 69.667 65.316 46.015 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 69.863 64.088 45.151 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 52.402 42.299 11.079 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 52.424 43.256 11.106 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 51.484 42.076 11.230 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 21.964 44.651 50.553 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 22.835 44.258 50.500 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 21.420 43.977 50.961 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 66.510 30.570 41.722 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 66.237 30.013 42.451 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 67.054 31.246 42.128 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 34.241 21.586 58.919 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 34.121 22.523 58.768 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 34.264 21.203 58.042 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 26.767 76.291 38.262 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 26.367 76.156 39.122 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 27.655 76.592 38.455 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 35.063 50.550 40.022 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 35.702 51.262 39.987 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 34.218 50.979 39.886 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 74.728 89.778 17.453 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 74.888 88.837 17.525 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 75.058 90.141 18.275 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 81.039 6.048 47.442 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 81.287 5.130 47.327 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 80.088 6.027 47.547 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 26.702 39.311 39.084 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 27.148 39.851 38.431 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 26.161 39.928 39.577 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 65.848 38.019 18.918 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 65.120 37.434 19.130 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 65.885 38.020 17.962 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 87.059 18.470 -9.820 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 87.602 18.821 -9.113 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 87.161 17.521 -9.752 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 58.316 87.218 15.458 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 58.057 88.119 15.652 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 58.929 86.989 16.157 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 42.753 82.087 29.823 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 42.619 82.889 30.329 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 43.235 81.508 30.413 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 46.971 39.474 44.938 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 47.377 38.704 45.336 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 47.100 39.354 43.997 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 34.054 72.045 41.342 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 34.432 71.330 40.829 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 33.204 72.210 40.935 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 69.625 23.107 51.140 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 69.874 22.182 51.148 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 68.675 23.100 51.261 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 33.688 48.500 33.555 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 32.946 48.969 33.937 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 33.905 47.828 34.202 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 35.527 87.587 -0.977 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 35.308 88.273 -0.347 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 34.681 87.220 -1.236 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 70.259 48.575 -13.396 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 70.073 47.683 -13.689 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 70.956 48.474 -12.748 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 31.623 37.249 -19.458 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 31.821 36.616 -18.768 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 31.570 38.090 -19.005 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 36.644 80.796 5.879 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 37.180 80.912 5.095 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 35.875 81.345 5.728 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 55.960 44.885 -13.816 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 55.825 44.116 -13.262 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 56.884 44.845 -14.062 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 62.132 17.307 43.632 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 62.133 17.059 42.707 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 62.739 18.046 43.683 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 87.026 71.339 1.387 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 87.647 70.619 1.270 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 87.560 72.066 1.708 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 47.832 19.870 54.480 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 48.202 20.729 54.274 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 47.674 19.466 53.626 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 32.626 61.002 -4.821 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 31.699 61.236 -4.874 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 32.826 61.025 -3.885 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 78.300 74.350 13.233 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 78.654 74.790 14.006 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 78.312 73.420 13.459 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 32.875 47.890 59.584 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 33.429 48.263 58.898 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 33.421 47.219 59.995 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 20.515 46.880 17.820 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 21.181 47.316 18.351 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 20.343 47.490 17.103 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 35.623 49.013 13.275 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 35.471 48.966 14.219 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 36.574 48.961 13.182 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 78.029 38.476 58.087 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 77.928 37.760 57.460 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 78.500 39.155 57.604 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 66.866 58.304 44.847 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 67.301 59.019 44.382 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 65.932 58.453 44.697 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 44.247 54.216 31.373 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 44.179 54.882 32.057 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 44.678 54.663 30.645 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 81.482 65.458 13.336 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 80.810 64.860 13.008 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 81.068 65.902 14.076 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 90.426 89.930 14.417 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 91.115 90.071 15.066 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 89.658 90.368 14.783 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 34.318 82.675 5.588 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 34.471 82.524 4.655 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 33.685 83.392 5.615 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 71.862 58.057 15.112 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 71.380 58.562 15.767 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 72.294 57.365 15.613 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 25.199 62.700 47.063 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 25.273 63.507 47.572 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 25.741 62.068 47.534 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 26.504 79.404 20.612 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 26.745 79.884 19.819 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 25.708 79.836 20.921 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 38.648 52.850 37.209 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 37.734 53.117 37.112 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 39.128 53.671 37.312 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 27.451 24.956 49.379 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 27.430 24.165 48.841 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 26.530 25.163 49.536 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 27.499 79.400 0.898 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 27.932 78.553 1.002 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 27.584 79.601 -0.034 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 62.444 88.319 20.909 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 62.814 88.264 21.790 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 62.936 89.023 20.486 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 47.149 53.322 52.423 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 46.309 52.895 52.260 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 47.084 54.162 51.968 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 62.765 39.973 1.535 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 62.219 40.243 2.274 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 62.724 39.017 1.544 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 41.532 66.785 67.012 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 41.615 67.205 66.156 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 40.598 66.589 67.093 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 35.301 59.452 -0.982 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 35.195 59.169 -0.074 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 36.071 60.019 -0.969 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 78.179 8.085 46.257 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 77.695 8.895 46.420 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 77.844 7.770 45.418 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 60.244 49.180 15.599 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 60.905 49.567 16.173 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 59.603 48.795 16.197 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 48.376 28.500 -15.782 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 48.561 27.740 -16.334 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 48.054 28.127 -14.961 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 23.203 0.447 65.479 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 22.345 0.362 65.896 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 23.829 0.328 66.193 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 25.498 76.650 -14.710 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 25.943 77.067 -13.972 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 26.141 76.034 -15.061 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 42.498 19.294 27.842 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 42.424 19.178 26.895 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 42.232 18.451 28.208 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 48.050 28.360 29.116 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 47.953 29.019 28.429 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 47.343 28.550 29.733 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 24.130 55.870 55.656 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 24.103 56.544 54.977 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 23.210 55.667 55.828 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 83.937 55.375 -9.350 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 83.357 54.993 -10.009 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 84.445 54.635 -9.019 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 58.099 57.523 23.934 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 57.332 57.020 23.660 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 57.825 57.960 24.740 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 29.416 55.808 53.340 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 29.181 55.021 53.832 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 29.908 56.343 53.964 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 82.912 56.243 1.237 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 81.984 56.461 1.326 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 83.123 56.455 0.328 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 29.970 74.012 1.462 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 29.774 73.137 1.796 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 30.773 74.268 1.915 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 87.847 87.819 -6.318 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 87.359 86.997 -6.272 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 88.565 87.639 -6.925 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 79.590 72.057 -4.665 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 80.243 72.268 -3.998 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 78.858 72.645 -4.480 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 51.028 21.582 66.818 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 50.260 21.744 66.270 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 50.834 20.758 67.264 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 82.131 22.559 48.873 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 81.938 22.165 49.724 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 81.685 23.406 48.893 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 57.054 83.059 41.948 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 56.128 82.820 41.905 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 57.504 82.363 41.471 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 77.575 82.356 -14.565 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 78.158 82.344 -13.806 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 77.756 83.192 -14.995 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 22.223 68.360 58.907 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 21.871 67.706 59.511 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 21.623 69.102 58.980 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 41.426 61.628 -4.388 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 40.849 62.384 -4.278 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 41.350 61.146 -3.564 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 55.547 67.461 21.454 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 55.172 67.558 20.579 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 56.237 68.123 21.494 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 87.899 38.609 15.399 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 87.703 38.116 14.603 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 87.936 37.947 16.089 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 36.606 21.651 55.966 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 37.365 21.277 56.413 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 35.871 21.103 56.240 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 45.412 37.578 15.925 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 45.758 37.780 16.794 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 45.213 36.642 15.958 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 70.882 46.417 32.825 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 70.343 46.071 32.114 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 70.543 47.300 32.975 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 44.385 2.549 52.257 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 44.424 1.842 52.901 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 45.265 2.582 51.882 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 72.525 83.747 27.265 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 72.342 83.170 26.523 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 71.662 84.024 27.572 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 35.374 58.429 -3.691 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 35.518 59.326 -3.994 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 35.657 58.437 -2.777 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 35.255 38.093 34.568 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 34.477 37.703 34.968 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 35.059 38.110 33.631 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 85.036 54.666 37.987 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 85.718 54.563 38.651 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 84.257 54.919 38.482 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 29.377 6.010 36.993 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 30.086 5.750 36.406 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 29.711 5.824 37.870 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 65.945 49.910 52.617 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 65.715 49.453 53.425 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 66.012 50.830 52.872 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 83.611 15.283 60.923 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 83.262 16.069 60.502 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 83.250 14.557 60.416 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 57.195 25.232 17.921 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 56.541 25.266 18.620 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 57.732 26.013 18.058 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 76.206 86.673 23.800 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 77.020 86.250 23.524 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 75.514 86.105 23.462 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 55.273 79.633 57.233 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 54.478 79.149 57.010 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 55.533 80.058 56.416 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 22.275 44.149 -13.933 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 22.546 43.232 -13.973 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 22.828 44.592 -14.577 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 56.821 45.790 4.417 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 55.948 45.546 4.109 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 56.831 46.747 4.376 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 50.396 71.273 -1.541 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 50.814 71.333 -2.400 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 51.119 71.129 -0.931 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 75.565 72.500 48.960 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 75.283 71.588 49.030 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 75.755 72.621 48.029 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 22.125 61.648 6.181 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 21.722 61.265 5.402 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 23.041 61.373 6.137 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 24.390 59.806 66.635 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 24.705 58.948 66.351 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 24.557 59.822 67.578 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 23.703 26.671 29.700 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 24.240 27.318 29.242 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 23.183 26.259 29.011 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 79.016 73.959 17.959 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 78.424 73.779 17.230 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 78.487 74.458 18.581 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 44.788 30.033 30.979 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 44.470 29.821 31.857 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 44.956 29.183 30.573 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 49.848 20.893 -10.854 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 49.805 19.940 -10.928 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 49.785 21.207 -11.757 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 79.430 61.301 11.563 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 78.500 61.076 11.564 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 79.778 60.887 12.353 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 50.654 95.874 5.822 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 49.792 96.110 5.479 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 50.470 95.436 6.653 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 50.188 16.950 54.253 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 50.150 17.464 55.060 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 50.977 17.261 53.808 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 75.711 39.505 3.037 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 75.238 39.733 3.838 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 75.821 38.555 3.086 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 51.195 15.264 26.290 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 51.433 15.087 25.380 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 50.687 16.074 26.252 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 68.607 77.796 -13.852 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 69.056 78.533 -14.264 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 68.935 77.025 -14.315 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 56.683 68.121 -10.440 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 55.864 68.535 -10.710 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 57.205 68.837 -10.076 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 66.671 85.258 56.221 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 67.481 85.044 55.758 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 66.394 84.432 56.617 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 58.253 6.123 59.074 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 57.983 5.421 59.666 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 57.926 5.853 58.216 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 71.571 65.327 64.948 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 70.997 64.671 65.343 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 72.136 65.615 65.665 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 27.940 83.114 -0.002 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 27.481 82.886 -0.810 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 28.352 82.297 0.280 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 88.845 25.698 13.588 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 88.161 26.145 13.089 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 88.479 24.833 13.775 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 79.808 39.682 40.489 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 79.070 40.284 40.590 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 79.877 39.544 39.544 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 22.231 45.291 61.730 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 21.400 45.581 62.105 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 22.864 45.393 62.441 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 37.754 40.812 -7.890 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 37.952 39.901 -8.105 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 36.918 40.985 -8.322 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 41.115 45.553 57.316 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 41.613 45.807 58.093 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 41.134 44.596 57.320 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 76.570 4.222 44.734 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 76.637 4.932 44.096 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 75.819 3.707 44.442 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 21.592 83.639 52.618 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 21.454 84.378 52.026 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 22.542 83.519 52.636 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 80.160 22.406 35.129 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 80.062 22.931 34.335 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 80.996 21.952 35.015 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 35.416 42.522 -7.411 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 35.286 43.121 -6.675 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 35.369 43.082 -8.187 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 43.250 60.826 -6.332 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 42.551 61.010 -5.705 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 44.028 61.230 -5.949 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 33.359 53.833 51.932 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 32.721 53.284 52.388 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 32.858 54.249 51.230 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 27.656 68.954 24.767 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 27.359 68.737 25.651 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 27.318 69.835 24.609 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 36.714 26.018 53.613 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 36.784 25.697 54.512 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 37.620 26.134 53.328 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 24.616 87.765 18.520 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 24.620 86.871 18.862 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 25.539 88.019 18.501 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 74.733 38.224 54.696 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 74.855 37.319 54.985 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 73.853 38.239 54.320 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 88.187 70.532 40.848 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 88.922 70.637 40.244 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 88.575 70.152 41.636 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 24.512 79.864 24.427 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 23.984 80.477 23.916 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 25.148 80.415 24.882 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 51.290 87.471 46.894 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 51.480 87.004 46.080 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 51.083 86.781 47.525 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 57.954 53.240 2.738 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 58.868 53.516 2.802 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 57.522 53.664 3.480 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 90.365 30.796 -5.992 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 91.160 31.325 -5.933 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 90.127 30.618 -5.082 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 39.903 33.055 65.859 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 38.968 32.897 65.728 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 40.311 32.199 65.727 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 47.071 20.703 -8.851 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 47.275 20.395 -7.968 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 47.554 20.112 -9.429 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 35.460 60.920 -11.098 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 35.957 60.105 -11.176 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 34.657 60.668 -10.642 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 35.246 48.333 10.383 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 36.159 48.292 10.098 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 35.272 48.831 11.200 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 37.430 70.488 -14.642 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 37.501 71.156 -15.324 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 38.332 70.335 -14.361 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 75.974 89.821 -18.963 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 76.213 89.508 -19.835 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 75.055 90.076 -19.043 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 45.527 59.781 51.618 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 44.708 59.570 51.171 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 45.753 60.656 51.304 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 70.280 85.705 40.369 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 69.862 84.860 40.536 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 71.210 85.548 40.531 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 32.316 40.925 35.342 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 31.609 40.432 35.758 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 32.299 40.644 34.427 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 39.509 49.826 -8.802 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 39.282 50.726 -8.568 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 40.376 49.691 -8.419 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 58.567 2.733 44.479 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 59.277 2.146 44.216 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 58.243 2.363 45.300 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 64.432 50.467 -13.321 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 64.262 51.406 -13.401 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 64.684 50.346 -12.406 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 59.518 95.529 42.696 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 58.984 95.265 41.947 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 59.811 96.415 42.483 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 58.696 38.518 48.028 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 59.600 38.267 47.841 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 58.250 38.456 47.184 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 68.606 17.607 57.272 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 68.319 17.816 56.383 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 67.869 17.861 57.828 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 27.394 38.803 7.554 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 27.711 38.918 8.450 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 27.628 39.618 7.110 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 30.200 66.132 22.259 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 30.952 66.053 22.846 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 30.223 65.334 21.731 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 58.957 6.440 62.223 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 59.548 5.834 62.669 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 58.426 5.883 61.653 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 28.538 36.310 -6.019 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 29.464 36.490 -6.184 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 28.124 36.376 -6.879 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 83.319 86.535 -3.632 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 83.508 85.949 -2.899 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 84.099 87.085 -3.706 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 32.336 0.204 9.735 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 32.107 0.616 8.903 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 33.281 0.061 9.681 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 48.640 7.196 26.997 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 48.504 6.559 26.296 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 48.102 7.947 26.747 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 27.747 79.076 -10.973 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 28.019 78.925 -11.878 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 28.479 78.754 -10.446 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 62.097 26.780 8.479 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 62.462 25.954 8.162 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 61.605 26.539 9.264 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 58.006 24.714 -0.990 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 57.418 24.253 -0.392 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 58.097 25.588 -0.610 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 78.805 20.717 37.023 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 79.529 20.101 36.910 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 79.041 21.468 36.479 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 75.529 52.897 66.882 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 75.248 52.332 67.601 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 75.046 53.713 67.014 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 78.537 4.635 -5.214 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 78.597 5.047 -6.075 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 79.041 5.209 -4.637 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 43.851 26.457 36.461 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 44.485 26.649 35.770 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 44.030 27.108 37.139 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 72.398 16.671 -10.257 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 72.852 17.378 -9.798 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 72.611 16.808 -11.180 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 41.414 48.407 -13.814 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 41.759 48.442 -12.922 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 42.156 48.649 -14.368 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 45.659 61.182 -12.982 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 45.510 60.241 -12.884 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 45.517 61.539 -12.105 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 89.445 20.887 52.459 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 89.623 21.102 53.375 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 89.877 20.045 52.322 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 40.164 43.951 8.648 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 40.219 44.883 8.858 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 39.367 43.653 9.086 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 59.102 41.124 38.573 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 59.848 41.666 38.830 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 58.370 41.737 38.512 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 79.827 12.488 -11.424 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 79.611 13.382 -11.156 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 80.154 12.071 -10.627 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 21.722 91.512 23.099 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 22.477 91.253 22.571 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 21.678 92.463 23.005 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 68.791 16.658 37.573 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 68.611 17.421 37.024 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 68.143 16.008 37.302 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 74.359 46.793 64.338 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 73.671 46.940 64.988 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 74.606 47.671 64.048 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 89.054 48.444 49.299 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 88.466 47.702 49.443 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 89.681 48.129 48.648 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 31.957 58.542 66.789 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 31.571 58.016 67.490 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 32.202 59.365 67.214 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 75.318 77.840 -11.888 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 75.017 76.956 -12.101 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 75.395 77.844 -10.934 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 36.000 17.176 63.226 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 35.833 16.239 63.123 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 35.152 17.589 63.061 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 31.543 53.242 -19.058 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 32.047 54.036 -18.880 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 32.201 52.551 -19.127 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 43.597 67.324 -2.680 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 44.066 67.711 -1.940 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 43.229 66.512 -2.331 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 31.867 24.418 60.623 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 32.253 25.278 60.456 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 31.984 23.940 59.802 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 73.141 31.061 9.020 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 73.718 31.695 9.445 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 73.414 30.214 9.374 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 83.079 20.061 -5.283 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 83.250 19.122 -5.211 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 82.722 20.173 -6.164 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 87.502 89.720 -1.946 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 86.695 89.771 -1.433 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 87.990 90.508 -1.705 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 31.723 62.965 -2.179 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 32.178 62.124 -2.124 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 32.196 63.534 -1.573 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 26.230 23.710 44.274 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 26.393 23.478 45.189 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 27.036 24.139 43.988 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 38.912 28.712 29.986 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 39.561 28.090 29.658 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 39.370 29.195 30.675 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 71.685 50.312 -3.303 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 71.157 51.100 -3.175 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 71.064 49.657 -3.624 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 58.441 31.172 17.335 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 57.779 30.503 17.510 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 58.840 31.344 18.188 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 28.305 3.105 14.162 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 29.107 3.616 14.058 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 28.008 3.302 15.050 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 26.963 72.554 3.560 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 26.775 73.237 4.203 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 26.806 72.972 2.713 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 66.320 18.866 -19.531 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 65.963 19.235 -18.723 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 65.809 19.276 -20.229 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 25.817 24.820 60.680 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 24.883 24.708 60.506 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 26.245 24.573 59.860 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 72.551 28.069 0.149 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 73.098 27.632 -0.504 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 73.029 27.963 0.971 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 48.212 86.692 41.962 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 48.705 85.873 42.011 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 47.935 86.860 42.863 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 41.422 46.830 -17.145 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 40.904 46.615 -17.920 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 41.751 47.713 -17.313 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 75.085 56.722 65.723 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 75.716 57.073 66.352 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 74.594 56.065 66.217 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 72.046 86.813 -17.353 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 71.814 86.603 -16.449 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 71.511 87.577 -17.567 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 29.522 94.466 7.377 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 28.883 94.142 8.011 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 30.318 94.611 7.889 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 66.648 60.532 -3.655 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 67.350 61.101 -3.340 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 66.495 59.919 -2.935 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 82.389 24.204 -1.649 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 82.933 23.567 -1.187 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 82.922 24.998 -1.681 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 77.073 89.618 38.205 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 76.787 90.228 37.525 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 76.920 90.086 39.026 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 79.507 15.045 -13.612 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 79.130 14.290 -14.064 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 78.983 15.789 -13.909 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 73.977 47.551 34.779 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 74.503 46.990 34.209 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 73.233 47.815 34.237 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 59.717 10.155 -5.920 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 59.209 9.348 -5.837 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 60.241 10.027 -6.712 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 67.142 33.865 11.565 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 67.549 34.642 11.949 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 66.213 33.949 11.782 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 51.356 2.317 65.918 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 50.523 2.238 65.454 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 51.333 3.191 66.306 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 27.134 51.847 55.229 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 26.456 52.497 55.410 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 27.302 51.432 56.075 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 81.900 15.290 -3.112 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 81.237 14.967 -3.721 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 81.840 14.703 -2.358 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 76.255 27.955 0.574 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 75.849 28.500 -0.100 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 75.600 27.906 1.270 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 81.744 41.223 28.215 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 81.566 41.130 27.279 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 81.243 41.995 28.479 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 39.178 16.346 -11.087 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 38.635 15.564 -10.986 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 38.763 17.000 -10.525 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 24.045 20.134 42.011 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 24.788 20.104 41.407 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 23.274 20.113 41.443 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 85.304 42.015 41.930 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 85.415 41.744 42.841 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 86.095 42.515 41.729 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 27.947 33.979 28.751 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 27.952 34.307 27.852 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 27.992 33.028 28.660 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 78.560 37.706 2.783 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 78.282 37.222 2.005 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 78.723 37.030 3.441 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 47.781 55.896 -5.429 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 48.593 56.402 -5.416 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 47.661 55.611 -4.523 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 23.297 87.244 3.645 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 23.341 88.116 4.037 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 22.494 87.255 3.125 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 60.953 26.002 10.800 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 60.690 25.129 11.092 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 60.268 26.582 11.132 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 82.476 70.787 -17.330 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 81.670 70.972 -16.847 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 82.669 71.600 -17.796 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 38.361 14.128 63.737 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 38.526 14.209 62.797 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 37.420 14.273 63.828 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 75.875 40.525 62.737 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 76.135 39.668 62.401 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 76.693 40.925 63.032 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 71.929 45.477 55.520 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 71.029 45.754 55.350 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 72.301 45.322 54.652 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 49.678 41.126 11.265 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 50.136 40.371 11.633 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 48.963 41.296 11.877 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 64.237 8.678 28.481 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 64.300 8.612 29.434 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 64.216 7.771 28.178 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 33.301 52.074 48.635 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 33.073 52.961 48.355 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 34.188 52.154 48.984 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 56.253 87.618 -11.483 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 55.825 86.779 -11.318 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 57.189 87.416 -11.470 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 34.160 66.061 -13.749 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 33.416 66.501 -13.340 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 34.069 65.144 -13.490 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 36.398 18.337 -6.265 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 36.395 17.418 -6.533 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 37.317 18.531 -6.080 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 49.956 29.377 43.005 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 50.786 29.436 42.532 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 49.532 30.221 42.852 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 77.984 82.983 54.155 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 78.402 82.129 54.266 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 77.145 82.787 53.738 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 89.618 68.405 -17.846 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 89.764 68.996 -17.107 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 89.817 67.535 -17.499 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 63.266 72.405 44.523 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 64.214 72.278 44.479 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 63.155 73.349 44.634 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 72.462 12.279 53.905 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 72.094 11.984 54.739 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 71.706 12.358 53.324 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 33.646 35.378 10.505 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 32.829 35.420 10.008 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 33.380 35.098 11.381 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 74.954 54.115 35.731 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 74.043 54.161 36.019 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 74.918 53.657 34.892 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 48.092 44.516 44.764 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 47.833 45.211 45.370 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 47.895 44.869 43.896 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 25.828 25.189 5.069 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 25.604 24.599 5.789 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 25.070 25.769 4.989 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 40.342 52.740 47.895 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 40.766 53.551 47.612 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 39.550 53.029 48.349 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 39.350 61.919 60.179 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 38.903 62.594 59.667 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 39.715 61.324 59.524 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 48.353 56.644 -18.462 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 48.118 56.210 -17.642 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 49.227 56.999 -18.304 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 76.218 74.812 29.924 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 76.727 74.024 30.117 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 76.279 74.910 28.974 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 43.497 35.956 39.535 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 43.893 36.720 39.954 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 43.736 36.038 38.611 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 54.236 69.252 -11.067 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 53.472 69.263 -11.644 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 53.888 68.992 -10.214 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 48.686 94.979 43.456 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 47.925 94.792 42.906 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 49.297 94.266 43.270 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 21.691 62.783 -1.316 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 22.534 63.151 -1.050 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 21.167 63.542 -1.572 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 53.235 80.397 4.241 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 53.961 79.846 3.950 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 53.606 80.932 4.944 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 53.161 66.786 30.609 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 52.433 66.279 30.249 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 53.835 66.751 29.931 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 56.367 36.739 47.325 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 57.054 36.995 47.941 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 56.674 37.061 46.477 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 33.281 72.428 1.932 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 33.300 71.506 2.190 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 34.149 72.759 2.163 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 43.185 59.051 15.788 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 43.648 59.846 16.054 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 43.840 58.540 15.313 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 86.904 70.902 -14.647 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 86.661 70.134 -15.163 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 86.069 71.302 -14.403 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 34.909 18.320 -12.489 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 34.725 19.225 -12.740 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 35.694 18.088 -12.986 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 48.095 22.836 41.052 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 48.472 23.057 41.904 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 48.592 23.362 40.426 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 81.030 47.668 30.875 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 80.750 48.569 31.032 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 81.825 47.569 31.399 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 59.576 0.629 61.415 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 60.411 0.657 61.882 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 59.165 -0.185 61.706 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 60.821 49.243 42.771 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 61.259 48.397 42.860 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 61.517 49.848 42.515 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 68.827 59.327 41.110 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 68.585 59.820 41.894 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 68.005 59.218 40.632 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 68.331 5.233 54.824 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 68.869 4.568 55.252 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 68.546 6.046 55.281 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 78.228 93.593 40.790 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 77.453 93.033 40.742 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 78.539 93.650 39.887 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 42.988 70.642 3.269 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 42.573 69.929 3.754 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 43.905 70.617 3.543 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 73.970 32.466 -5.767 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 73.864 33.251 -5.229 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 73.908 31.740 -5.146 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 76.408 1.940 -17.695 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 76.166 2.597 -18.348 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 77.272 2.213 -17.388 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 36.186 67.640 11.642 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 36.930 67.546 12.237 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 36.446 68.340 11.042 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 55.491 34.884 -4.817 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 55.389 35.836 -4.843 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 55.558 34.676 -3.885 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 37.273 65.878 25.047 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 37.736 65.351 25.699 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 37.958 66.402 24.632 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 24.936 71.041 48.356 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 25.151 70.419 49.051 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 25.691 71.629 48.318 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 51.180 70.909 -9.651 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 51.196 70.105 -9.132 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 50.249 71.088 -9.788 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 33.507 21.508 63.190 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 33.302 21.321 62.274 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 32.705 21.892 63.543 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 80.863 56.413 33.952 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 81.306 57.241 34.139 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 79.954 56.660 33.780 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 53.276 18.987 9.678 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 54.018 18.484 10.011 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 53.629 19.470 8.931 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 86.887 85.556 24.159 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 86.068 85.117 24.391 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 86.885 86.358 24.681 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 43.551 59.968 62.167 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 43.160 60.662 61.636 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 43.473 60.282 63.068 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 85.960 69.631 49.288 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 86.671 69.855 49.888 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 86.400 69.405 48.468 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 57.335 85.527 31.776 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 57.688 86.417 31.772 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 56.646 85.539 31.112 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 88.862 12.785 48.561 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 89.513 12.196 48.942 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 89.352 13.301 47.921 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 86.550 20.688 -16.506 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 85.675 20.459 -16.818 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 86.519 20.525 -15.563 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 88.595 36.580 8.771 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 87.680 36.507 9.042 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 88.908 35.676 8.738 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 29.289 36.296 -16.350 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 29.212 37.146 -16.783 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 29.034 35.662 -17.019 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 22.083 26.559 -16.332 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 21.499 26.888 -17.015 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 22.849 26.237 -16.806 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 60.976 0.594 3.338 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 61.628 -0.068 3.570 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 60.192 0.339 3.824 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 65.979 95.813 -3.987 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 66.081 95.604 -3.058 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 66.785 96.273 -4.220 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 85.551 80.416 37.254 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 85.220 81.300 37.407 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 86.215 80.522 36.573 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 63.561 10.768 18.375 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 62.617 10.690 18.511 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 63.941 10.102 18.949 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 23.841 9.873 -1.176 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 24.406 9.387 -1.776 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 22.954 9.593 -1.401 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 25.495 3.126 15.643 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 25.788 2.232 15.466 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 26.193 3.506 16.177 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 54.270 49.449 43.308 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 55.068 49.252 42.818 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 54.567 49.583 44.208 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 38.128 10.552 1.092 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 37.373 10.906 0.621 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 38.143 9.624 0.858 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 89.560 7.897 54.901 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 89.001 7.451 54.265 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 89.653 7.271 55.619 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 53.062 91.236 63.749 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 53.032 90.300 63.948 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 52.723 91.660 64.537 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 58.832 17.393 52.071 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 58.767 18.295 52.384 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 58.820 17.467 51.117 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 69.424 33.102 -7.316 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 69.110 32.267 -7.663 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 70.159 33.336 -7.882 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 57.660 13.422 36.544 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 57.130 14.212 36.439 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 58.290 13.458 35.823 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 83.688 74.512 6.417 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 83.873 73.578 6.513 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 84.090 74.751 5.582 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 81.191 62.205 35.443 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 80.355 61.939 35.824 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 81.049 63.107 35.156 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 75.739 74.164 40.043 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 75.024 73.932 39.450 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 75.962 75.065 39.809 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 48.960 2.267 64.388 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 48.532 3.020 63.982 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 48.242 1.754 64.759 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 30.982 15.610 -5.168 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 31.396 15.459 -6.018 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 31.232 14.850 -4.642 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 65.835 37.585 56.497 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 65.763 37.933 57.386 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 65.349 36.761 56.522 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 80.866 16.846 50.495 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 80.080 16.685 49.972 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 80.577 17.445 51.183 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 59.135 12.735 0.399 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 58.323 12.441 -0.013 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 59.316 13.584 -0.005 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 76.963 92.998 33.687 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 76.369 92.396 33.239 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 77.701 92.451 33.955 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 79.826 52.990 27.430 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 79.258 52.323 27.815 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 79.223 53.642 27.072 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 38.760 43.502 -18.864 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 38.802 43.833 -17.966 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 39.645 43.627 -19.207 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 24.457 4.142 40.067 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 25.386 4.291 40.241 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 24.341 4.392 39.151 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 66.916 31.822 35.436 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 67.035 31.537 34.530 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 66.444 32.652 35.367 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 51.753 63.825 59.484 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 51.884 64.420 58.746 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 52.011 62.967 59.149 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 27.511 90.945 58.465 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 28.290 90.535 58.090 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 27.804 91.815 58.736 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 26.384 13.021 64.832 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 27.270 13.293 65.073 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 26.005 13.790 64.406 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 41.300 39.999 61.969 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 41.556 40.871 61.670 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 41.699 39.401 61.337 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 37.771 40.996 35.225 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 38.637 41.392 35.324 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 37.881 40.097 35.536 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 63.022 78.506 -19.736 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 62.817 77.633 -20.071 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 63.843 78.392 -19.256 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 68.683 69.730 61.606 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 68.354 69.647 60.712 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 68.517 68.875 62.004 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 24.443 78.643 8.198 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 24.809 79.464 8.527 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 24.889 78.499 7.363 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 53.733 17.294 -8.024 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 53.041 17.751 -7.546 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 53.527 16.366 -7.918 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 61.753 67.331 32.588 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 61.419 67.558 31.720 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 60.978 67.324 33.149 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 27.466 9.340 47.728 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 28.059 9.951 47.291 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 26.820 9.900 48.159 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 55.095 87.360 65.458 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 55.171 86.406 65.437 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 55.988 87.675 65.323 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 62.150 28.171 49.090 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 61.582 28.269 49.855 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 63.003 27.934 49.454 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 37.558 26.248 20.289 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 37.226 26.687 19.506 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 36.926 25.549 20.459 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 78.799 23.058 -0.560 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 79.433 23.185 0.145 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 78.530 23.944 -0.803 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 75.974 42.879 33.509 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 76.774 42.471 33.176 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 75.291 42.598 32.901 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 45.295 34.174 -10.090 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 44.858 34.972 -9.792 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 45.752 33.848 -9.314 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 24.053 41.442 36.517 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 24.450 40.755 35.981 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 23.199 41.088 36.766 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 39.074 18.196 31.830 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 38.411 18.839 31.579 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 39.133 18.271 32.782 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 43.487 34.877 -15.572 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 44.210 35.496 -15.671 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 43.627 34.480 -14.713 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 44.671 18.931 35.480 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 45.121 18.611 34.698 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 45.266 19.585 35.848 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 61.326 49.496 1.219 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 60.584 50.100 1.198 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 61.662 49.561 2.113 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 43.074 48.358 41.765 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 42.750 49.002 41.135 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 43.946 48.127 41.444 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 79.307 73.123 27.198 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 80.121 72.713 26.904 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 79.081 72.657 28.003 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 33.181 56.287 42.137 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 33.760 55.612 42.491 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 32.656 55.831 41.479 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 51.001 30.654 50.585 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 50.459 31.421 50.397 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 51.855 30.867 50.211 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 75.992 69.130 60.453 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 75.334 68.723 61.017 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 76.549 68.404 60.172 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 77.695 52.949 13.250 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 77.740 53.791 12.797 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 77.346 53.160 14.115 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 20.694 38.734 52.934 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 21.308 39.044 53.601 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 19.900 39.248 53.082 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 35.641 74.733 8.712 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 35.246 74.032 8.194 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 36.414 74.332 9.108 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 74.349 28.414 2.504 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 74.939 29.113 2.785 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 74.250 27.858 3.276 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 44.054 13.932 46.329 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 43.981 13.100 45.859 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 44.620 14.470 45.776 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 78.009 43.171 -9.661 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 78.375 44.044 -9.803 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 78.123 43.012 -8.724 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 54.155 34.878 36.732 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 53.265 34.537 36.819 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 54.195 35.219 35.838 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 66.406 40.456 63.158 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 67.312 40.309 62.887 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 66.466 40.679 64.087 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 73.722 69.843 11.708 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 73.579 69.445 12.566 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 73.180 69.328 11.111 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 84.574 76.773 13.609 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 85.310 76.940 14.198 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 83.843 76.567 14.191 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 23.310 48.737 54.826 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 23.053 48.842 55.742 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 24.267 48.758 54.841 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 67.437 16.504 -5.229 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 66.510 16.268 -5.187 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 67.715 16.546 -4.314 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 33.296 95.748 16.228 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 34.208 96.035 16.180 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 32.789 96.559 16.237 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 86.894 14.712 51.101 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 87.334 15.509 50.807 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 86.492 14.954 51.936 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 75.405 57.475 11.160 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 74.723 57.083 10.616 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 74.951 57.742 11.960 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 65.285 56.462 -0.412 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 64.781 56.907 0.270 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 65.584 57.166 -0.988 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 26.010 40.147 60.423 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 25.815 40.969 60.872 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 25.168 39.863 60.066 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 49.358 91.859 17.718 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 50.177 92.263 17.430 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 49.178 91.187 17.061 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 83.600 64.062 47.865 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 84.177 64.456 47.210 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 83.239 63.288 47.432 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 66.403 63.190 60.201 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 67.103 62.562 60.022 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 66.363 63.238 61.156 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 36.851 61.793 41.326 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 37.017 61.817 40.384 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 37.095 62.666 41.635 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 46.445 3.464 -8.564 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 45.542 3.327 -8.276 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 46.389 3.513 -9.518 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 32.714 64.253 58.997 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 31.813 64.243 59.317 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 32.637 64.089 58.057 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 48.771 38.408 36.341 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 48.429 37.530 36.174 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 49.607 38.433 35.876 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 25.392 14.786 -10.537 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 24.670 14.986 -11.132 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 26.181 14.924 -11.062 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 29.401 66.706 4.332 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 28.957 65.985 4.780 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 29.272 67.461 4.907 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 21.730 73.291 51.498 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 21.821 72.573 50.873 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 22.103 74.049 51.048 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 56.342 14.211 26.950 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 55.842 14.777 26.362 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 56.603 13.469 26.404 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 22.880 94.540 6.027 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 23.686 95.015 5.825 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 22.268 94.802 5.339 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 22.022 3.066 64.187 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 22.218 2.435 64.880 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 22.825 3.108 63.668 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 37.673 27.685 3.665 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 38.532 27.523 4.054 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 37.060 27.224 4.237 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 21.535 57.695 60.585 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 21.814 57.442 59.705 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 22.326 58.039 60.998 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 66.439 11.524 -19.956 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 66.704 11.227 -19.085 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 66.077 12.398 -19.811 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 64.219 48.429 30.323 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 63.970 48.622 29.419 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 63.559 48.875 30.854 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 87.528 76.933 48.207 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 87.933 76.066 48.189 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 86.809 76.876 47.577 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 80.023 63.376 63.711 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 79.575 63.185 64.535 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 80.059 62.534 63.257 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 77.198 61.215 32.623 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 77.269 61.057 33.564 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 76.595 60.541 32.311 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 77.102 64.148 52.843 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 77.647 63.865 52.109 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 76.593 63.372 53.078 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 45.648 62.860 3.549 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 44.708 62.676 3.534 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 45.890 62.795 4.472 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 60.627 89.337 -9.571 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 59.852 89.895 -9.640 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 61.339 89.872 -9.921 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 68.030 51.522 60.065 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 68.637 51.612 59.330 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 68.591 51.523 60.841 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 90.847 23.637 47.156 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 90.527 23.286 46.325 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 90.055 23.881 47.634 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 88.311 44.880 64.488 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 87.375 44.715 64.378 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 88.395 45.195 65.388 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 24.701 59.224 9.627 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 24.203 59.170 10.443 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 25.421 59.823 9.824 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 36.347 26.073 -15.042 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 35.973 25.818 -15.885 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 35.778 26.776 -14.730 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 63.067 82.212 58.375 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 62.208 81.907 58.083 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 62.977 83.163 58.432 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 89.385 66.256 -15.688 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 88.784 65.602 -16.044 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 88.940 66.594 -14.911 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 60.502 30.625 -13.140 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 60.500 31.504 -12.762 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 59.604 30.313 -13.028 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 45.255 28.618 40.790 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 45.399 28.348 41.697 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 45.706 29.459 40.715 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 40.600 19.732 35.401 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 40.149 19.772 34.557 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 40.505 18.822 35.681 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 63.484 14.087 27.421 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 63.463 14.569 28.247 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 63.265 14.740 26.756 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 72.305 37.196 16.959 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 73.101 36.981 16.473 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 71.591 36.918 16.385 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 78.708 47.441 -6.019 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 78.387 46.999 -5.232 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 78.430 48.351 -5.913 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 80.749 27.043 9.123 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 80.854 26.854 8.191 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 80.224 26.315 9.458 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 43.624 12.524 58.310 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 42.842 12.119 57.934 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 44.346 11.966 58.022 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 57.661 79.974 35.394 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 57.757 80.764 34.862 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 56.963 79.479 34.964 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 50.398 68.023 27.596 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 49.966 67.234 27.923 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 50.089 68.111 26.695 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 24.731 5.560 14.660 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 24.959 4.718 15.053 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 24.976 6.207 15.322 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 77.506 83.605 26.347 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 76.912 83.313 27.039 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 76.936 83.775 25.597 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 79.867 55.608 8.313 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 80.794 55.404 8.191 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 79.454 54.759 8.475 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 43.270 40.010 38.056 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 43.765 39.494 37.420 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 43.615 40.898 37.966 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 25.228 90.043 9.825 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 24.424 90.562 9.822 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 25.794 90.480 10.462 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 31.181 78.808 59.885 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 31.776 79.148 59.217 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 31.480 77.912 60.040 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 87.095 54.021 -2.802 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 87.280 53.111 -3.036 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 87.943 54.380 -2.542 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 67.489 34.095 62.216 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 67.306 33.245 61.816 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 68.370 34.317 61.914 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 38.789 2.142 33.190 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 38.981 2.121 32.252 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 38.903 1.237 33.478 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 35.338 4.932 6.550 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 34.613 4.352 6.316 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 35.654 4.595 7.388 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 33.779 51.485 59.774 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 33.797 52.354 60.176 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 33.729 50.880 60.514 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 24.302 40.556 51.080 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 24.486 40.269 51.975 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 23.526 40.057 50.823 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 36.201 37.000 5.006 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 36.601 36.834 5.859 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 35.406 37.495 5.205 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 77.289 61.037 -3.928 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 76.872 60.965 -3.069 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 76.623 60.730 -4.544 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 59.318 21.577 58.160 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 58.772 21.217 58.859 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 59.044 22.491 58.087 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 39.217 82.637 -10.913 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 38.303 82.918 -10.943 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 39.261 82.040 -10.166 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 59.687 23.516 11.286 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 59.227 23.843 10.513 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 58.995 23.356 11.928 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 46.706 7.180 63.266 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 46.741 7.021 64.209 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 46.778 6.311 62.872 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 82.054 85.687 42.777 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 82.280 84.835 42.405 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 81.987 86.270 42.020 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 86.368 23.507 48.848 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 86.243 22.669 49.293 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 87.241 23.794 49.119 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 25.839 30.754 6.780 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 25.652 30.643 7.712 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 25.163 31.355 6.469 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 30.369 66.742 11.678 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 31.072 67.237 11.257 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 30.417 65.873 11.282 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 85.736 31.483 35.324 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 85.270 30.667 35.507 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 86.346 31.581 36.055 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 74.075 58.418 13.520 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 73.197 58.443 13.900 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 74.502 57.677 13.950 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 25.494 11.301 29.165 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 25.792 10.677 28.502 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 25.967 12.109 28.962 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 80.621 37.780 35.056 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 80.181 36.933 34.979 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 81.299 37.639 35.717 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 55.085 43.171 31.951 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 54.783 42.355 31.553 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 55.066 43.807 31.236 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 61.437 70.419 -19.059 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 61.849 70.107 -19.865 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 60.901 69.683 -18.763 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 67.143 63.542 -18.289 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 67.085 64.264 -18.915 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 67.522 62.820 -18.790 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 23.911 1.472 39.041 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 22.968 1.440 38.878 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 24.078 2.376 39.305 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 42.458 27.232 58.856 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 41.569 27.458 58.582 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 42.677 27.886 59.521 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 73.087 67.864 58.947 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 73.327 68.078 58.045 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 72.335 68.426 59.134 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 83.884 53.762 60.676 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 83.293 54.179 60.050 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 84.578 54.406 60.816 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 79.232 5.022 57.677 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 79.626 4.631 58.456 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 79.927 5.565 57.304 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 58.278 43.779 55.925 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 57.352 43.633 55.734 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 58.354 43.632 56.868 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 26.167 40.595 57.538 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 25.211 40.598 57.492 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 26.363 40.675 58.472 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 23.213 76.977 4.192 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 22.835 77.799 3.878 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 22.780 76.300 3.672 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 36.833 87.502 -9.180 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 36.564 87.688 -8.280 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 37.071 88.355 -9.541 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 35.980 18.287 40.727 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 36.790 17.859 40.449 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 36.098 19.205 40.484 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 90.083 71.049 -12.359 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 90.114 70.164 -11.997 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 89.571 71.550 -11.725 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 54.337 37.766 53.366 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 53.678 37.347 53.920 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 53.893 38.531 53.001 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 67.506 31.495 27.008 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 67.293 31.964 26.201 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 67.945 30.697 26.713 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 65.205 16.337 51.379 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 64.668 16.599 50.631 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 65.224 17.111 51.942 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 71.022 23.649 10.742 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 71.203 23.154 9.943 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 70.410 23.099 11.231 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 33.765 77.123 52.411 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 33.375 76.480 51.819 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 34.704 77.076 52.232 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 52.922 87.960 10.297 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 52.458 87.895 11.132 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 52.796 87.105 9.885 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 60.810 78.028 61.322 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 61.189 78.808 61.729 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 61.166 78.024 60.434 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 27.472 8.536 -6.737 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 27.477 8.352 -7.676 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 28.219 9.119 -6.602 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 53.552 93.535 60.018 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 53.579 93.446 59.065 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 54.336 94.040 60.234 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 49.550 82.292 -2.416 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 49.657 81.958 -1.526 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 49.612 81.516 -2.973 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 21.310 76.429 -17.949 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 21.923 77.081 -18.289 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 21.578 76.300 -17.039 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 23.739 21.645 -5.458 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 23.725 22.475 -4.982 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 23.691 20.976 -4.776 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 30.303 77.136 -8.167 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 30.004 77.907 -8.648 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 29.782 76.415 -8.521 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 90.356 13.002 -1.761 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 91.212 13.425 -1.825 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 90.456 12.182 -2.245 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 20.619 16.073 38.349 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 20.782 16.900 37.895 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 19.745 16.174 38.725 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 29.618 32.089 65.971 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 29.503 31.581 65.167 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 30.135 31.520 66.542 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 39.837 23.522 34.578 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 40.333 24.107 35.151 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 39.103 24.053 34.270 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 55.011 6.262 -10.284 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 55.013 5.404 -9.859 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 55.667 6.188 -10.978 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 30.418 35.648 27.749 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 30.374 36.348 27.098 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 30.245 34.848 27.253 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 25.241 3.091 30.516 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 24.888 2.265 30.186 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 24.778 3.237 31.341 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 38.138 26.205 8.237 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 37.223 26.452 8.098 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 38.581 27.030 8.434 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 90.274 94.463 60.566 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 91.226 94.466 60.670 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 89.974 95.213 61.079 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 36.095 25.916 12.061 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 36.803 26.253 12.609 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 35.296 26.255 12.465 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 57.879 59.554 52.837 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 57.710 58.711 52.417 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 58.479 59.348 53.555 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 57.453 85.593 26.763 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 58.031 84.885 27.047 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 56.578 85.308 27.025 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 37.312 83.586 50.465 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 38.189 83.416 50.807 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 37.073 84.439 50.829 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 78.524 36.353 27.061 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 78.644 37.293 27.194 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 79.278 36.086 26.536 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 70.803 64.294 60.402 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 71.087 64.779 61.177 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 71.614 64.098 59.931 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 68.586 60.759 37.949 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 68.352 61.643 37.668 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 67.799 60.428 38.382 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 27.876 27.913 -3.153 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 27.914 27.957 -4.109 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 27.192 28.538 -2.911 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 66.831 1.582 34.337 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 67.339 2.285 33.932 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 67.067 1.618 35.264 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 58.057 23.931 55.030 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 58.579 24.724 54.904 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 58.393 23.317 54.377 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 65.012 57.798 41.608 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 64.610 57.909 42.470 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 64.383 57.270 41.116 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 31.168 39.771 58.765 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 30.777 39.347 58.001 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 30.451 39.837 59.396 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 55.263 47.969 -18.819 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 56.059 47.505 -19.080 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 55.551 48.568 -18.130 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 30.427 93.546 59.413 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 30.362 94.234 60.075 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 29.585 93.572 58.957 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 78.674 16.185 49.201 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 78.451 16.633 48.385 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 78.268 15.322 49.119 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 49.384 7.591 56.991 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 49.468 8.322 56.379 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 49.434 7.995 57.857 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 42.385 10.215 0.494 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 42.057 9.565 -0.127 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 42.776 9.698 1.198 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 54.952 35.564 42.085 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 55.076 35.930 41.209 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 54.089 35.877 42.356 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 79.947 76.248 63.978 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 80.892 76.363 63.877 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 79.838 75.316 64.166 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 35.780 64.436 1.235 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 36.532 64.197 0.693 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 36.114 64.412 2.131 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 58.865 40.330 57.786 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 58.491 39.954 58.583 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 58.938 41.266 57.974 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 25.749 0.594 -6.377 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 26.192 -0.141 -5.954 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 24.966 0.740 -5.848 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 84.378 46.576 44.415 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 84.193 45.699 44.079 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 85.048 46.439 45.085 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 68.642 58.612 -15.398 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 68.576 59.532 -15.653 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 68.581 58.129 -16.222 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 30.586 43.315 63.578 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 30.237 42.431 63.466 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 30.877 43.345 64.490 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 44.803 46.075 31.041 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 44.609 45.476 30.320 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 44.610 46.944 30.690 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 42.564 48.758 52.425 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 43.464 48.473 52.583 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 42.060 47.946 52.380 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 80.067 7.995 4.885 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 80.209 7.230 5.442 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 79.504 8.569 5.404 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 64.969 40.264 -2.430 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 64.412 39.529 -2.687 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 64.368 40.892 -2.028 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 85.941 47.497 46.966 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 86.614 47.243 47.597 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 85.216 47.816 47.504 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 81.918 38.993 -19.521 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 82.365 38.810 -20.347 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 81.285 39.678 -19.736 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 46.592 14.557 65.234 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 46.610 13.828 65.854 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 45.737 14.490 64.810 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 38.506 17.771 61.689 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 37.666 17.470 62.034 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 38.335 17.951 60.765 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 88.240 18.691 65.106 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 88.119 19.555 65.499 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 87.539 18.621 64.459 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 30.971 36.184 64.102 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 31.244 35.592 63.401 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 31.789 36.463 64.513 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 32.586 70.024 24.007 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 32.154 70.068 23.153 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 33.311 69.412 23.878 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 37.283 86.536 65.512 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 37.125 85.683 65.107 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 37.585 87.091 64.793 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 69.250 13.379 60.639 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 68.655 12.888 60.073 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 69.943 12.755 60.856 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 86.048 59.475 -13.554 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 86.417 60.197 -14.062 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 86.742 58.816 -13.533 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 77.711 51.225 27.754 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 77.287 51.315 26.900 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 77.079 51.590 28.374 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 85.374 14.901 -19.366 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 85.886 14.827 -18.561 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 84.487 15.103 -19.068 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 45.562 34.967 -2.040 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 44.658 35.241 -1.887 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 46.004 35.118 -1.204 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 69.977 32.533 -4.760 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 69.705 32.818 -5.632 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 69.618 31.650 -4.673 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 64.506 71.438 -16.235 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 63.647 71.850 -16.143 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 65.068 72.131 -16.583 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 57.355 6.648 65.047 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 57.094 6.612 65.967 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 58.187 6.175 65.014 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 37.284 53.690 30.148 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 38.185 53.737 29.829 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 36.746 53.749 29.359 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 35.204 54.543 25.378 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 35.443 53.806 24.815 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 35.661 55.293 24.998 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 59.065 18.288 -14.855 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 59.260 17.458 -14.419 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 58.855 18.890 -14.142 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 65.114 13.778 20.850 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 64.470 14.485 20.796 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 65.961 14.224 20.835 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 21.469 71.121 61.998 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 22.091 71.835 61.859 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 21.468 70.639 61.171 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 52.406 7.133 15.541 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 53.037 7.779 15.224 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 52.027 7.532 16.324 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 68.104 24.801 59.881 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 68.834 24.387 59.422 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 68.020 24.304 60.695 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 48.999 29.781 17.531 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 48.728 29.071 18.113 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 48.193 30.050 17.090 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 41.982 0.426 49.347 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 41.164 0.904 49.211 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 41.829 -0.430 48.947 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 78.837 42.345 -6.929 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 78.543 42.875 -6.188 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 79.685 41.998 -6.653 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 38.993 34.883 8.529 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 38.483 35.353 7.869 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 38.347 34.609 9.180 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 83.865 26.613 -1.500 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 84.545 27.142 -1.082 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 83.171 27.238 -1.709 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 86.633 26.446 12.129 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 86.298 27.337 12.033 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 85.849 25.903 12.215 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 68.860 55.275 62.993 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 68.527 55.863 62.315 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 68.081 54.838 63.336 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 79.173 73.517 63.844 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 79.217 73.453 62.890 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 78.628 72.775 64.109 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 87.755 59.460 4.252 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 88.012 58.692 3.742 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 87.952 59.223 5.158 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 47.365 43.215 7.720 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 47.101 44.123 7.576 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 46.834 42.924 8.462 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 74.652 33.500 21.650 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 73.725 33.553 21.420 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 75.114 33.718 20.840 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 67.022 28.893 58.566 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 66.348 29.105 59.211 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 66.887 27.964 58.375 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 35.525 32.565 29.480 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 36.255 33.095 29.159 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 35.109 33.109 30.148 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 79.974 91.464 47.219 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 79.483 91.495 46.398 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 80.764 90.968 47.008 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 47.717 50.420 40.747 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 48.533 49.920 40.714 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 47.831 51.108 40.090 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 83.644 73.801 -11.195 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 83.550 74.538 -10.592 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 84.295 73.234 -10.783 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 50.488 60.702 -18.584 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 51.161 61.264 -18.967 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 49.717 60.843 -19.133 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 47.239 10.749 1.977 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 46.728 10.238 1.349 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 47.569 10.101 2.601 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 84.013 25.924 41.222 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 84.744 26.496 41.457 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 84.264 25.064 41.557 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 74.263 94.443 -13.894 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 74.695 93.736 -13.415 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 74.873 94.664 -14.598 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 79.941 9.006 43.010 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 79.927 9.930 43.258 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 80.423 8.575 43.715 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 21.320 5.592 33.576 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 20.643 5.350 34.209 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 21.942 6.116 34.080 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 64.085 31.430 47.616 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 64.156 31.457 48.570 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 63.975 32.345 47.357 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 53.055 85.521 -4.754 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 52.253 86.040 -4.686 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 52.768 84.617 -4.622 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 64.941 58.516 20.168 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 64.714 58.515 19.238 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 64.122 58.303 20.615 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 33.442 42.072 50.508 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 32.546 41.742 50.446 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 33.391 42.967 50.171 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 42.249 60.085 44.209 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 42.470 60.278 43.298 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 42.377 60.915 44.668 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 89.641 17.930 52.455 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 89.412 18.156 51.553 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 90.577 17.734 52.423 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 88.752 24.246 49.882 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 89.144 23.377 49.962 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 88.823 24.623 50.758 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 54.124 13.166 28.589 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 53.660 13.801 29.135 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 54.755 13.689 28.095 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 53.118 1.942 38.555 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 53.499 2.411 37.813 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 53.512 1.070 38.515 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 82.240 43.932 64.434 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 82.256 44.709 64.993 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 81.735 44.199 63.667 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 21.800 39.128 36.879 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 21.442 39.048 35.996 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 21.045 39.344 37.426 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 53.955 70.461 -16.864 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 54.264 71.338 -17.090 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 53.016 70.569 -16.713 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 28.463 62.343 47.501 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 29.146 61.746 47.805 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 27.925 61.813 46.913 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 45.245 5.121 43.623 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 45.691 5.962 43.730 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 45.933 4.467 43.745 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 25.634 12.077 37.766 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 24.744 12.102 37.414 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 25.730 12.907 38.235 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 35.306 37.142 63.044 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 35.517 38.063 62.893 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 36.017 36.819 63.596 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 81.384 15.380 44.740 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 81.679 16.276 44.904 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 80.777 15.459 44.004 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 87.541 10.078 -14.253 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 87.237 9.712 -13.422 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 88.184 10.741 -14.002 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 64.195 81.191 -4.495 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 63.930 80.768 -5.312 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 64.282 80.471 -3.870 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 72.530 61.233 -15.343 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 73.163 61.938 -15.201 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 71.859 61.375 -14.675 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 24.163 29.286 -12.137 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 23.836 29.012 -12.994 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 23.515 28.954 -11.515 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 76.771 9.886 39.077 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 76.751 10.024 40.024 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 76.221 9.115 38.935 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 44.860 81.454 18.463 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 44.589 80.741 19.040 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 44.376 81.303 17.651 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 82.473 66.142 32.139 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 82.349 67.074 32.318 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 83.179 66.114 31.493 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 59.757 50.089 -13.930 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 60.339 49.541 -14.458 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 60.346 50.673 -13.453 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 60.901 33.780 32.701 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 61.316 34.236 31.968 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 60.005 33.620 32.407 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 88.231 81.729 48.712 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 88.406 82.258 47.934 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 87.605 81.068 48.418 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 78.400 28.230 38.426 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 78.150 27.655 37.704 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 79.134 28.740 38.085 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 80.016 30.478 -1.965 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 79.302 30.872 -1.464 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 80.811 30.761 -1.513 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 27.077 73.882 59.012 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 26.638 73.183 58.528 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 28.010 73.688 58.921 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 68.067 39.540 -15.617 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 68.704 40.236 -15.455 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 68.516 38.737 -15.354 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 56.815 18.053 20.490 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 55.966 17.620 20.581 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 56.601 18.978 20.365 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 34.257 0.071 5.195 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 33.855 0.799 4.721 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 34.684 0.481 5.947 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 21.857 82.173 47.409 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 21.211 82.682 47.900 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 22.000 82.675 46.607 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 22.290 29.065 62.635 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 21.758 28.705 63.345 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 22.048 29.990 62.601 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 25.061 41.487 33.533 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 24.205 41.913 33.573 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 24.872 40.598 33.233 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 21.220 29.492 -17.335 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 20.516 29.147 -16.786 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 21.000 29.198 -18.220 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 31.539 9.586 22.349 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 31.863 9.219 23.171 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 31.685 10.529 22.433 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 49.118 8.197 42.957 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 48.934 7.571 43.657 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 48.747 7.794 42.171 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 81.682 86.122 55.008 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 82.090 85.301 54.733 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 82.415 86.726 55.128 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 46.818 63.738 -0.552 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 47.283 63.740 -1.388 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 47.126 62.947 -0.108 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 33.662 39.480 66.326 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 33.653 39.694 67.259 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 32.748 39.564 66.052 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 33.112 84.573 34.464 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 32.482 84.761 33.767 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 33.049 83.628 34.596 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 56.926 8.992 47.074 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 57.525 8.703 47.762 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 56.848 9.937 47.205 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 54.857 68.496 -18.687 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 54.943 69.374 -18.315 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 54.121 68.106 -18.216 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 85.003 71.938 19.693 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 84.429 71.173 19.654 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 84.421 72.663 19.921 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 67.819 6.766 45.109 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 67.299 5.985 44.921 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 68.444 6.484 45.776 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 62.376 21.956 58.297 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 61.471 21.654 58.375 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 62.859 21.433 58.937 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 56.618 71.200 -4.194 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 57.439 71.377 -3.735 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 55.958 71.168 -3.502 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 81.647 67.041 51.621 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 81.815 67.051 52.563 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 82.323 66.467 51.262 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 50.904 14.919 32.853 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 51.217 14.017 32.923 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 49.976 14.834 32.635 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 86.932 49.457 11.264 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 87.536 48.829 10.868 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 87.499 50.127 11.646 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 41.817 32.290 47.981 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 41.482 33.100 48.365 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 41.184 31.621 48.243 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 25.910 5.242 22.125 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 25.487 4.416 22.360 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 25.834 5.288 21.172 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 66.961 9.540 58.891 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 66.701 9.136 59.719 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 67.772 9.092 58.650 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 87.039 76.111 -13.109 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 86.650 76.941 -13.382 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 86.701 75.470 -13.734 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 46.464 17.541 3.740 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 46.359 18.398 3.325 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 45.736 17.484 4.359 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 53.778 26.930 36.598 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 53.187 26.190 36.739 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 54.305 26.971 37.397 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 60.901 38.280 58.878 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 61.391 37.585 58.439 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 60.409 38.707 58.176 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 29.562 46.090 57.697 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 29.877 46.684 58.378 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 29.985 46.398 56.896 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 66.662 33.385 5.755 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 66.518 33.627 6.670 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 65.847 33.621 5.313 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 35.600 13.331 57.900 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 35.218 12.489 57.653 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 35.962 13.678 57.085 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 89.580 30.024 31.299 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 89.213 30.554 30.591 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 90.471 29.825 31.012 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 54.396 37.377 -8.970 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 55.090 37.989 -9.216 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 54.321 37.470 -8.020 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 39.731 27.428 -14.641 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 39.736 27.174 -13.718 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 39.592 28.375 -14.629 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 24.110 45.639 45.292 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 23.610 45.279 46.025 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 23.446 45.931 44.668 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 22.788 85.197 30.194 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 21.897 84.913 30.397 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 23.303 84.931 30.956 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 23.941 70.535 41.411 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 24.537 70.061 40.831 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 23.624 69.871 42.024 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 73.218 12.407 9.761 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 72.278 12.401 9.942 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 73.428 13.329 9.614 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 64.643 38.771 -19.417 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 64.950 37.873 -19.545 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 63.965 38.700 -18.745 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 36.102 33.343 18.068 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 36.681 33.923 18.561 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 36.640 33.024 17.343 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 89.293 93.958 47.932 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 89.199 93.378 48.688 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 88.733 94.708 48.134 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 21.461 69.547 45.339 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 22.324 69.628 44.933 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 20.947 70.257 44.955 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 63.477 11.145 34.941 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 63.913 11.258 34.096 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 62.544 11.124 34.728 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 78.150 96.977 -10.681 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 78.302 96.046 -10.514 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 77.238 97.023 -10.968 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 33.267 22.667 2.292 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 33.499 22.897 1.393 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 33.709 21.832 2.448 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 37.989 19.855 47.623 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 37.033 19.816 47.628 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 38.199 20.501 46.948 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 40.621 7.713 36.849 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 41.294 8.391 36.781 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 40.561 7.528 37.786 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 68.165 60.960 60.038 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 68.900 60.394 60.274 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 68.154 60.953 59.081 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 60.521 62.773 59.572 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 59.741 63.029 60.064 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 60.860 63.594 59.215 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 77.443 25.385 51.145 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 78.229 25.931 51.186 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 77.492 24.959 50.290 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 24.823 58.592 -17.894 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 23.955 58.259 -17.667 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 25.006 59.258 -17.231 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 67.661 34.658 14.796 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 67.649 33.789 14.397 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 66.917 34.656 15.398 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 54.721 64.373 37.977 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 53.946 64.905 37.793 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 54.370 63.528 38.258 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 86.628 26.916 -17.986 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 85.966 26.829 -18.672 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 87.252 27.553 -18.334 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 55.481 44.787 52.684 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 56.124 45.234 53.235 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 55.951 44.030 52.334 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 42.349 93.765 -18.443 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 41.629 94.257 -18.048 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 42.244 92.875 -18.106 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 64.521 17.712 49.208 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 63.946 17.489 48.476 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 64.685 18.650 49.107 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 81.146 39.796 54.072 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 80.898 39.131 54.715 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 80.432 40.433 54.098 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 90.675 48.405 -4.246 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 89.969 47.791 -4.448 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 90.491 49.170 -4.792 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 69.458 27.416 -5.019 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 69.218 27.451 -5.945 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 68.659 27.129 -4.575 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 25.849 66.241 36.131 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 26.284 65.487 35.733 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 26.155 66.991 35.622 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 56.251 32.267 56.017 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 56.753 32.915 55.522 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 55.339 32.530 55.899 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 32.054 68.272 41.218 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 32.831 68.474 40.697 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 32.091 68.886 41.952 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 48.595 52.855 -19.095 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 47.879 53.468 -19.260 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 48.183 52.123 -18.635 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 47.242 53.764 5.604 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 47.988 53.745 6.203 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 47.539 53.278 4.835 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 36.108 36.777 22.118 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 36.997 36.438 22.012 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 36.104 37.599 21.626 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 23.317 26.289 12.962 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 22.662 25.592 12.991 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 24.100 25.867 12.609 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 42.000 33.759 -19.290 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 41.664 33.781 -18.394 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 41.259 33.460 -19.817 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 57.791 67.758 64.489 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 56.995 67.700 63.961 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 57.855 68.683 64.726 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 58.370 35.039 62.024 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 58.586 35.603 61.281 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 58.259 35.643 62.759 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 76.922 34.962 59.104 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 76.761 35.628 59.773 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 76.220 35.089 58.466 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 33.586 13.521 -15.489 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 32.767 13.529 -15.985 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 33.788 14.446 -15.345 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 66.157 58.543 61.583 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 65.893 59.077 60.834 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 66.455 59.176 62.236 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 26.093 64.180 25.246 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 26.258 63.284 25.540 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 26.959 64.522 25.024 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 37.014 70.776 -19.159 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 37.893 71.155 -19.166 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 36.922 70.364 -20.018 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 24.590 23.591 11.483 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 25.079 24.413 11.478 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 25.263 22.911 11.506 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 84.606 42.850 46.988 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 83.977 43.566 47.074 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 84.106 42.064 47.211 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 33.074 25.987 -18.762 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 32.279 25.841 -18.249 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 32.863 25.650 -19.632 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 35.470 84.954 -17.489 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 34.716 84.808 -18.061 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 36.135 85.334 -18.063 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 22.602 87.567 59.548 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 23.141 88.043 60.180 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 22.191 88.252 59.020 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 74.271 59.100 6.213 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 74.918 59.788 6.371 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 73.463 59.437 6.599 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 32.945 75.808 24.595 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 33.491 76.391 24.067 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 32.264 75.507 23.994 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 66.338 71.049 66.404 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 66.974 70.342 66.296 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 66.864 71.849 66.393 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 57.275 2.890 40.025 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 57.380 2.118 40.581 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 58.135 3.310 40.032 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 62.314 6.798 45.445 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 61.659 6.157 45.166 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 62.967 6.283 45.918 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 75.974 61.336 46.436 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 75.628 60.760 45.754 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 76.761 61.720 46.048 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 30.209 74.038 40.305 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 31.028 73.688 39.955 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 29.570 73.898 39.606 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 42.283 20.575 64.611 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 41.753 20.572 63.813 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 41.877 19.912 65.170 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 72.178 67.373 5.109 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 72.574 67.105 4.281 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 71.372 66.859 5.168 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 29.133 9.265 36.743 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 29.898 8.814 37.101 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 28.504 9.280 37.464 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 74.014 32.527 53.364 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 74.673 32.479 54.056 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 74.220 31.793 52.785 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 25.298 63.361 18.012 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 25.633 62.466 18.066 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 25.056 63.582 18.911 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 83.263 79.462 64.112 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 82.418 79.162 63.777 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 83.113 80.375 64.358 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 43.353 87.030 -2.239 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 44.183 87.412 -1.953 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 42.880 87.759 -2.641 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 85.187 79.167 8.677 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 84.611 78.494 8.313 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 85.183 79.000 9.620 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 80.433 35.707 -17.084 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 79.851 36.342 -16.668 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 80.672 36.110 -17.919 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 55.594 32.257 34.528 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 55.459 32.773 33.733 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 54.810 32.418 35.054 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 48.993 62.567 63.145 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 48.147 62.119 63.144 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 48.861 63.331 62.584 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 34.819 70.451 -17.270 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 35.664 70.582 -17.701 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 34.545 69.575 -17.542 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 36.886 42.933 -14.562 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 37.383 42.120 -14.465 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 36.685 43.199 -13.665 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 56.573 18.046 58.006 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 56.716 18.413 57.134 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 55.910 18.614 58.399 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 88.668 42.204 32.394 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 88.602 41.300 32.087 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 88.037 42.685 31.858 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 46.031 94.909 58.111 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 46.986 94.970 58.107 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 45.847 94.008 57.844 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 22.231 38.757 28.926 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 22.980 38.399 28.450 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 22.608 39.420 29.504 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 53.112 54.706 -0.536 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 53.133 55.660 -0.617 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 52.866 54.549 0.376 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 60.481 19.543 66.044 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 60.037 18.695 66.077 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 61.243 19.437 66.614 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 64.576 41.949 58.401 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 64.650 41.285 57.716 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 64.984 42.729 58.025 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 25.295 84.369 23.428 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 25.665 84.922 24.117 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 24.861 84.982 22.835 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 75.600 67.282 -0.660 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 74.790 67.532 -1.105 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 76.295 67.533 -1.267 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 90.406 82.832 35.111 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 89.595 83.162 35.499 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 90.804 82.303 35.801 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 40.672 41.416 49.696 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 40.334 42.311 49.710 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 41.209 41.375 48.904 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 90.843 70.338 59.060 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 90.746 70.197 58.118 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 89.946 70.439 59.381 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 50.259 41.183 -2.489 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 51.009 41.611 -2.903 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 50.646 40.606 -1.831 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 84.651 51.475 67.110 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 83.791 51.352 66.709 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 85.024 52.228 66.652 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 48.080 23.353 52.143 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 47.362 23.637 51.578 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 47.697 23.318 53.019 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 65.404 84.000 2.617 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 66.002 83.758 1.910 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 65.389 83.234 3.191 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 57.690 34.190 10.588 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 58.070 34.652 9.841 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 57.774 34.804 11.318 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 88.651 28.679 6.070 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 89.234 29.423 5.922 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 89.223 27.913 6.018 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 46.807 48.467 57.696 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 46.175 48.318 58.399 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 46.842 49.419 57.601 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 66.716 88.022 62.046 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 67.092 87.416 62.685 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 66.989 87.675 61.197 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 50.512 81.332 -15.478 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 49.967 81.211 -16.256 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 50.462 80.494 -15.018 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 24.880 28.570 27.271 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 25.337 29.110 26.626 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 24.200 28.120 26.768 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 58.666 9.002 2.590 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 59.416 8.670 3.084 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 58.800 9.949 2.557 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 35.067 46.906 -4.185 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 34.132 46.894 -4.391 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 35.482 47.253 -4.975 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 58.374 91.186 20.852 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 57.519 90.759 20.916 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 58.977 90.482 20.617 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 56.945 91.343 -8.679 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 56.563 90.477 -8.820 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 56.947 91.452 -7.728 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 29.123 94.679 29.982 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 29.470 95.568 30.057 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 29.824 94.183 29.558 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 89.054 93.969 58.461 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 88.417 93.262 58.560 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 89.558 93.954 59.274 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 48.820 10.787 -10.037 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 48.879 11.629 -10.489 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 48.919 11.006 -9.110 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 39.157 47.780 16.012 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 39.022 48.464 16.668 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 40.080 47.541 16.102 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 81.634 52.585 41.162 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 80.686 52.619 41.292 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 81.752 52.012 40.405 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 39.646 82.870 51.901 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 39.816 82.987 52.835 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 39.974 83.673 51.495 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 71.428 71.090 31.050 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 70.512 71.314 31.214 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 71.899 71.918 31.147 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 68.822 5.141 24.774 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 68.272 4.437 25.117 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 69.694 4.954 25.121 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 78.820 89.325 -5.941 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 78.531 89.134 -5.049 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 78.034 89.642 -6.385 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 78.016 73.422 49.484 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 77.205 72.920 49.397 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 78.533 72.932 50.123 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 34.646 94.620 -4.928 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 34.627 95.502 -5.299 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 33.863 94.195 -5.277 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 68.510 95.885 -12.128 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 68.561 96.223 -11.233 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 67.597 95.616 -12.231 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 21.453 43.116 46.020 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 22.340 42.792 46.179 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 20.929 42.740 46.728 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 23.354 50.897 0.607 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 24.245 50.698 0.898 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 23.450 51.132 -0.315 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 58.713 45.192 1.266 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 57.787 45.433 1.238 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 59.054 45.644 2.038 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 58.493 78.627 62.629 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 58.989 79.216 63.197 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 59.141 78.285 62.013 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 55.153 27.127 39.208 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 55.687 27.815 39.606 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 54.320 27.168 39.678 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 57.198 91.034 57.477 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 57.921 91.633 57.289 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 57.398 90.250 56.966 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 34.535 10.824 -9.685 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 33.591 10.670 -9.661 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 34.862 10.201 -10.334 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 45.909 18.116 -16.143 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 46.772 18.523 -16.223 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 45.347 18.628 -16.725 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 30.487 68.848 62.106 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 30.491 67.987 61.687 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 30.777 68.679 63.002 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 74.961 14.545 -1.415 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 74.321 13.998 -0.959 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 74.868 15.409 -1.014 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 42.166 34.431 -6.600 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 43.119 34.480 -6.677 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 42.012 34.179 -5.689 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 25.197 48.223 -12.378 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 25.528 48.947 -12.908 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 25.614 47.444 -12.747 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 31.605 55.444 65.673 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 31.345 55.269 66.577 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 31.007 54.915 65.145 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 83.693 67.473 61.937 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 83.532 66.690 61.410 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 83.665 68.195 61.310 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 31.848 43.878 -5.859 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 31.675 43.495 -4.998 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 32.114 44.778 -5.672 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 47.381 6.335 66.154 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 47.703 6.245 67.052 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 46.931 7.180 66.144 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 40.278 85.577 38.369 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 39.950 84.774 38.773 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 40.399 85.350 37.447 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 75.584 50.262 31.992 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 75.735 50.117 32.926 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 75.309 51.177 31.933 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 72.755 59.432 26.686 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 72.858 59.976 27.467 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 71.919 59.707 26.309 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 37.604 24.014 51.434 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 38.233 24.393 52.047 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 38.040 24.060 50.583 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 88.300 3.627 39.253 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 88.467 3.991 38.383 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 89.139 3.253 39.522 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 56.237 30.583 49.476 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 56.938 30.712 48.837 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 56.471 31.154 50.208 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 47.175 75.681 -19.502 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 46.490 75.573 -20.161 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 47.501 74.795 -19.346 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 64.328 5.264 -14.852 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 65.024 5.814 -15.212 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 64.722 4.394 -14.783 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 89.652 64.371 45.708 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 88.745 64.677 45.680 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 89.650 63.569 45.185 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 70.930 88.422 57.575 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 71.303 87.542 57.513 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 70.045 88.284 57.913 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 86.887 3.888 -8.581 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 87.541 3.581 -9.210 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 86.998 4.839 -8.564 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 66.301 -0.161 -1.152 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 66.946 0.288 -1.697 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 65.666 0.517 -0.923 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 83.420 86.731 28.789 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 82.960 86.666 29.626 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 83.830 85.874 28.673 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 65.562 14.391 7.824 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 66.193 13.679 7.934 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 66.071 15.106 7.444 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 38.522 25.867 31.678 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 38.098 25.414 30.950 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 39.440 25.601 31.624 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 45.567 9.672 4.398 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 46.252 9.172 4.843 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 45.793 10.587 4.562 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 71.175 33.323 57.525 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 70.410 33.899 57.524 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 71.575 33.453 56.665 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 60.133 22.214 52.307 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 59.197 22.286 52.121 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 60.539 22.085 51.450 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 28.900 68.650 13.124 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 29.205 68.834 14.013 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 29.477 67.954 12.811 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 46.710 14.532 -8.691 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 46.409 14.717 -9.581 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 46.103 13.867 -8.366 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 85.865 90.167 28.213 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 85.910 89.598 28.981 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 86.623 89.917 27.684 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 89.881 7.893 42.566 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 89.734 7.253 41.870 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 90.731 7.655 42.936 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 78.566 4.829 6.910 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 78.522 4.888 7.864 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 79.408 5.224 6.684 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 46.249 41.251 -12.024 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 45.928 41.298 -11.124 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 47.161 41.536 -11.969 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 85.129 5.139 -6.509 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 85.761 5.408 -7.176 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 84.899 4.240 -6.746 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 21.023 47.383 63.059 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 21.146 48.332 63.066 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 20.104 47.262 62.823 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 39.793 82.763 24.281 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 40.383 82.078 23.966 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 38.951 82.321 24.392 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 87.002 9.753 41.081 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 87.493 9.810 40.261 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 87.455 10.352 41.674 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 69.191 3.045 22.523 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 69.023 3.212 23.450 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 69.150 3.909 22.112 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 64.631 79.364 34.096 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 64.378 78.461 34.285 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 64.580 79.433 33.143 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 25.090 3.884 -12.025 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 26.043 3.816 -12.077 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 24.787 3.693 -12.912 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 41.678 1.933 -13.357 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 41.609 2.801 -13.755 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 40.771 1.658 -13.224 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 86.457 51.447 29.370 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 87.074 51.507 28.641 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 87.009 51.431 30.152 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 37.865 22.173 -15.697 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 38.078 22.919 -15.136 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 36.946 22.303 -15.931 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 53.525 61.101 64.412 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 52.931 61.589 63.842 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 53.928 60.449 63.838 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 33.434 56.427 50.300 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 33.070 57.134 50.833 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 34.375 56.600 50.281 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 79.090 17.363 39.132 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 79.965 17.747 39.180 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 79.065 16.731 39.851 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 35.738 18.578 -16.315 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 35.863 19.228 -17.007 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 35.403 19.080 -15.572 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 20.971 85.495 61.104 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 21.752 85.028 61.402 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 21.287 86.068 60.405 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 57.290 30.044 0.167 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 58.062 30.359 -0.304 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 57.377 30.416 1.045 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 27.216 28.356 54.688 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 27.564 27.871 55.437 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 27.866 28.228 53.997 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 89.097 22.445 60.135 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 88.837 22.368 59.217 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 89.814 21.818 60.234 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 68.369 90.237 66.565 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 68.022 91.120 66.685 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 69.192 90.365 66.092 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 36.218 44.891 20.184 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 37.090 45.153 19.888 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 36.071 44.039 19.772 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 40.092 83.001 55.166 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 40.402 82.711 56.024 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 40.326 83.928 55.126 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 88.807 78.117 23.037 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 88.626 77.861 23.941 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 88.030 78.606 22.766 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 34.134 64.182 48.799 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 34.769 64.756 49.228 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 34.284 64.317 47.863 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 44.078 50.199 -7.031 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 44.820 49.708 -6.680 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 43.809 50.773 -6.314 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 87.353 12.231 58.152 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 87.513 13.052 57.687 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 86.941 12.497 58.974 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 33.880 13.026 40.079 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 33.622 13.426 39.249 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 33.096 13.078 40.625 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 68.454 77.345 24.916 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 68.306 76.634 24.292 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 69.127 77.887 24.506 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 77.287 24.253 48.621 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 76.753 23.490 48.841 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 77.375 24.218 47.668 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 40.203 55.569 -8.438 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 41.080 55.469 -8.068 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 39.869 56.377 -8.049 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 39.327 32.903 52.306 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 38.926 32.456 51.560 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 39.964 33.501 51.914 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 43.114 35.772 -9.257 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 42.474 36.453 -9.053 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 42.827 35.013 -8.750 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 39.419 23.946 38.200 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 40.075 24.462 38.668 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 39.922 23.264 37.755 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 51.409 5.542 34.331 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 51.914 5.842 35.086 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 51.678 6.121 33.617 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 75.241 35.814 47.770 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 74.704 35.057 47.537 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 75.972 35.788 47.153 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 30.399 72.470 42.785 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 29.704 71.824 42.908 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 30.258 72.810 41.902 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 75.035 96.310 55.970 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 75.139 95.370 56.119 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 75.045 96.405 55.018 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 54.155 34.889 10.281 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 53.457 34.326 10.617 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 53.783 35.770 10.300 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 33.764 79.138 -9.793 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 33.554 79.790 -9.125 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 34.235 78.453 -9.320 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 80.617 53.477 65.875 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 79.821 53.668 66.373 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 80.409 53.742 64.980 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 43.636 53.835 43.245 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 43.532 54.740 42.954 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 43.372 53.308 42.491 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 65.396 26.649 46.359 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 66.000 26.202 45.766 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 64.583 26.727 45.859 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 88.375 44.630 58.944 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 88.583 43.865 59.480 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 87.804 45.163 59.498 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 23.833 96.127 11.357 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 23.180 95.441 11.222 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 24.101 96.381 10.473 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 42.491 16.871 33.913 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 43.146 16.340 33.459 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 42.634 17.759 33.587 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 46.557 63.078 15.303 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 46.910 63.689 14.656 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 47.219 62.390 15.369 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 57.147 60.817 35.939 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 56.428 60.790 36.571 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 56.744 60.572 35.106 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 55.841 87.502 -0.240 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 56.538 86.878 -0.037 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 55.122 86.960 -0.566 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 49.378 30.600 -10.528 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 49.193 31.426 -10.079 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 49.142 29.924 -9.893 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 64.599 47.619 -10.426 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 64.048 48.346 -10.137 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 65.423 47.740 -9.954 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 54.623 38.914 60.934 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 54.975 38.136 60.500 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 54.555 39.567 60.237 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 29.391 42.360 4.706 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 28.619 42.401 5.270 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 29.048 42.470 3.820 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 57.716 66.054 44.912 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 57.735 66.387 44.015 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 56.801 65.814 45.059 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 39.195 43.609 60.038 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 40.102 43.552 59.737 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 39.103 42.890 60.662 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 25.095 21.087 61.707 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 25.729 21.788 61.556 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 24.935 20.717 60.838 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 48.817 81.573 30.385 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 48.423 81.112 31.125 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 49.570 81.036 30.140 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 69.069 31.754 51.429 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 68.340 31.558 50.841 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 68.669 31.818 52.296 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 60.964 50.337 58.018 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 60.715 51.210 58.323 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 60.383 49.742 58.492 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 40.123 57.834 -14.050 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 40.994 57.468 -13.894 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 40.040 58.539 -13.408 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 49.625 90.973 20.542 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 49.494 91.583 19.817 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 49.296 90.136 20.215 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 26.024 69.296 50.072 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 25.917 68.670 49.356 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 26.944 69.558 50.027 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 42.504 86.467 32.843 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 41.602 86.749 32.998 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 43.038 87.092 33.332 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 21.529 6.365 47.223 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 22.327 5.840 47.162 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 21.652 6.900 48.007 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 63.542 92.427 1.691 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 63.396 91.641 2.217 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 62.674 92.663 1.366 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 88.470 82.418 66.653 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 87.581 82.774 66.631 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 88.356 81.506 66.921 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 22.016 39.571 61.698 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 21.252 39.314 62.214 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 22.429 40.267 62.209 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 82.038 3.827 60.413 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 82.464 3.366 59.690 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 81.108 3.822 60.186 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 81.873 69.180 46.884 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 81.059 68.685 46.796 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 82.561 68.514 46.883 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 35.476 37.707 31.793 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 36.387 37.952 31.628 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 35.073 37.685 30.926 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 53.406 73.541 42.048 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 52.520 73.466 42.401 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 53.951 73.043 42.658 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 31.302 86.060 53.097 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 30.377 86.165 52.875 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 31.508 86.824 53.635 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 40.197 76.799 -15.305 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 39.882 75.912 -15.130 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 41.104 76.680 -15.588 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 22.799 19.260 -4.041 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 23.168 19.243 -3.158 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 22.796 18.344 -4.318 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 68.704 76.289 1.958 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 68.791 75.383 2.252 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 68.185 76.715 2.641 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 55.097 46.122 37.022 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 54.842 46.909 36.541 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 54.512 45.439 36.693 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 73.908 36.153 23.477 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 72.977 36.126 23.256 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 74.356 36.105 22.633 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 42.186 45.768 43.585 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 41.648 46.532 43.792 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 43.083 46.048 43.768 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 35.143 53.420 50.000 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 35.728 54.168 49.879 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 34.656 53.623 50.798 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 46.719 55.723 44.721 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 46.744 55.313 43.857 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 46.226 56.533 44.588 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 22.166 75.502 38.117 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 22.222 74.546 38.100 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 22.734 75.789 37.403 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 35.923 46.751 -14.227 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 35.244 47.280 -14.646 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 36.746 47.158 -14.499 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 29.944 88.775 17.103 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 30.186 88.716 16.179 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 28.990 88.692 17.108 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 44.296 81.800 60.587 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 43.572 81.508 61.141 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 44.448 81.070 59.987 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 38.518 46.147 63.422 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 38.781 45.281 63.110 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 38.840 46.186 64.322 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 49.827 26.180 52.631 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 49.948 25.404 52.084 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 49.850 26.913 52.017 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 29.117 42.184 -9.901 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 28.877 42.714 -9.141 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 29.567 42.794 -10.486 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 33.788 22.188 66.915 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 33.772 21.390 67.445 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 32.923 22.578 67.043 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 42.749 2.818 -18.365 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 42.757 1.878 -18.548 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 43.444 2.942 -17.718 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 75.365 54.838 -18.002 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 76.242 54.456 -18.027 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 75.368 55.393 -17.221 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 47.027 36.152 5.049 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 47.067 35.683 5.883 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 47.935 36.191 4.752 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 41.203 53.926 -12.840 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 41.842 53.213 -12.841 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 41.415 54.437 -12.059 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 30.186 50.032 15.908 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 30.844 49.381 16.151 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 30.673 50.855 15.850 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 72.489 15.062 56.450 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 72.480 15.365 55.542 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 71.569 15.074 56.716 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 81.844 78.864 11.114 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 81.592 78.003 10.782 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 82.544 79.151 10.528 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 59.887 92.620 33.044 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 60.782 92.519 32.720 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 59.368 92.809 32.261 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 80.998 59.253 -14.967 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 81.051 59.002 -14.045 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 80.887 60.204 -14.950 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 43.882 52.373 34.122 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 44.153 51.467 33.975 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 43.900 52.773 33.252 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 36.869 60.150 33.812 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 37.332 59.779 33.060 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 37.326 59.794 34.574 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 49.776 29.878 -4.726 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 50.282 30.571 -4.301 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 49.115 29.632 -4.079 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 81.855 47.639 26.146 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 81.246 48.266 25.756 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 82.446 48.175 26.675 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 49.601 51.179 25.511 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 50.290 50.988 24.874 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 49.131 50.351 25.610 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 38.966 20.194 58.571 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 39.631 20.517 57.963 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 39.453 19.978 59.366 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 35.875 57.458 55.916 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 35.530 58.200 56.414 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 35.723 57.693 55.001 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 46.349 15.623 41.534 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 46.163 15.974 40.663 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 45.489 15.409 41.895 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 86.458 1.735 51.196 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 86.011 0.993 50.787 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 85.887 1.988 51.922 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 72.550 63.276 46.369 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 73.041 63.510 45.581 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 71.637 63.457 46.144 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 37.316 2.564 53.004 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 38.140 2.850 53.398 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 36.668 2.669 53.701 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 58.205 47.448 -18.803 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 58.813 47.787 -19.460 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 58.621 47.647 -17.965 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 27.593 80.181 16.127 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 26.789 79.712 15.907 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 27.368 80.691 16.905 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 39.598 85.904 17.333 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 38.723 85.524 17.250 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 39.915 85.594 18.181 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 48.645 42.511 -0.715 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 49.096 43.337 -0.541 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 49.106 42.141 -1.468 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 43.792 43.378 -10.496 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 43.116 42.868 -10.942 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 43.986 44.096 -11.098 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 20.917 41.529 25.413 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 21.404 42.096 24.815 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 21.535 41.334 26.117 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 59.798 9.353 56.127 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 60.086 8.851 55.365 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 59.790 8.719 56.844 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 83.327 48.065 32.281 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 83.618 48.817 31.764 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 84.126 47.734 32.691 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 40.621 17.043 40.565 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 40.692 16.189 40.991 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 40.176 16.862 39.737 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 48.106 28.607 60.104 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 47.671 28.395 59.278 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 48.666 29.355 59.895 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 56.760 61.945 54.135 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 57.290 61.345 53.610 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 56.927 62.808 53.756 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 82.895 49.615 61.980 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 82.436 50.412 62.247 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 83.707 49.625 62.487 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 61.323 46.445 42.272 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 61.874 46.639 41.514 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 60.927 45.598 42.070 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 34.625 92.158 13.970 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 34.808 91.278 14.299 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 35.130 92.737 14.540 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 82.693 48.276 45.866 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 81.931 48.099 45.315 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 83.380 47.710 45.514 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 66.345 54.183 2.937 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 65.426 54.205 3.207 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 66.685 53.370 3.311 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 41.337 68.713 64.861 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 41.032 68.831 63.961 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 40.767 69.277 65.383 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 54.657 17.416 62.728 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 54.659 16.846 61.958 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 53.820 17.879 62.682 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 65.394 15.607 -7.952 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 64.536 15.442 -8.343 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 65.573 16.527 -8.148 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 82.045 18.659 7.803 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 81.664 18.255 8.582 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 82.539 17.954 7.384 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 43.891 95.493 41.361 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 44.025 95.729 40.443 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 43.204 94.826 41.338 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 68.496 88.888 15.606 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 68.106 88.880 16.480 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 69.440 88.893 15.766 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 74.217 72.428 13.010 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 73.430 72.668 12.522 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 74.343 71.498 12.822 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 31.609 9.190 61.117 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 32.475 9.537 60.903 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 31.218 8.980 60.269 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 30.112 81.012 50.323 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 30.927 81.488 50.159 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 30.118 80.299 49.685 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 30.425 6.304 41.441 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 30.450 5.848 40.600 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 30.838 5.697 42.055 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 90.025 66.477 18.464 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 90.192 65.976 17.665 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 90.806 67.020 18.574 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 89.168 52.845 23.557 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 89.209 52.765 22.604 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 88.275 52.583 23.781 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 40.409 78.584 47.048 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 40.665 77.859 46.478 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 39.640 78.964 46.623 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 88.252 16.171 -15.817 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 87.925 15.436 -16.335 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 89.145 15.919 -15.580 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 87.920 63.768 37.701 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 88.686 63.234 37.491 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 87.691 64.194 36.875 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 21.425 17.899 12.251 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 21.488 18.608 11.612 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 20.575 18.031 12.672 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 33.940 51.873 65.629 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 34.265 51.162 65.077 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 33.522 51.430 66.368 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 65.937 26.770 24.093 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 65.302 27.313 23.626 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 66.286 26.179 23.426 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 69.857 78.570 7.407 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 69.663 79.010 8.235 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 69.380 79.076 6.750 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 31.479 78.623 -11.856 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 32.395 78.747 -11.607 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 31.125 79.511 -11.915 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 46.172 12.425 21.721 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 46.768 12.550 20.983 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 45.617 13.205 21.715 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 77.389 49.230 4.729 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 77.556 48.490 5.313 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 78.163 49.786 4.817 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 51.453 36.759 13.700 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 50.763 37.397 13.882 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 51.226 36.000 14.238 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 46.376 84.746 -4.073 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 45.657 84.125 -3.955 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 46.918 84.359 -4.759 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 60.619 40.956 23.178 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 60.634 41.831 22.791 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 59.691 40.781 23.337 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 70.704 90.423 -1.782 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 70.921 91.188 -1.250 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 69.995 90.721 -2.353 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 31.776 65.087 28.233 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 31.773 65.567 27.405 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 32.431 64.400 28.110 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 53.400 34.468 60.348 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 53.332 34.334 59.403 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 52.768 35.162 60.537 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 22.854 33.668 18.828 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 22.468 34.469 19.184 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 22.215 33.357 18.188 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 43.237 6.609 49.179 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 42.417 6.727 49.659 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 43.135 7.145 48.393 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 33.678 20.917 39.003 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 34.466 21.052 38.476 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 33.133 20.334 38.473 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 61.802 80.785 66.337 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 61.979 81.382 67.065 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 62.115 79.934 66.644 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 44.267 23.161 2.020 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 44.890 23.603 2.596 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 44.813 22.671 1.405 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 40.687 39.232 1.451 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 40.778 38.640 2.197 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 41.572 39.563 1.298 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 21.534 86.446 -11.234 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 20.685 86.635 -10.834 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 21.376 85.675 -11.778 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 34.202 2.075 52.702 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 33.925 2.941 52.998 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 34.594 1.671 53.476 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 69.874 38.539 64.091 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 69.802 39.040 63.278 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 69.112 38.804 64.605 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 31.320 44.368 49.942 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 30.505 44.435 49.444 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 32.003 44.612 49.317 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 68.511 7.404 42.545 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 67.603 7.666 42.395 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 68.534 7.130 43.462 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 54.620 0.088 63.710 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 54.062 0.589 63.115 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 55.485 0.491 63.623 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 60.574 6.556 41.131 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 59.810 7.133 41.147 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 61.308 7.123 41.368 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 43.425 40.524 43.600 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 43.272 41.426 43.884 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 42.576 40.231 43.268 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 30.232 47.228 14.897 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 30.923 47.456 14.275 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 29.991 48.060 15.304 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 75.651 0.740 5.458 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 76.504 0.631 5.878 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 75.201 1.392 5.995 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 54.766 18.748 -10.271 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 54.635 18.169 -9.520 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 54.741 19.630 -9.901 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 28.702 89.076 55.581 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 27.941 88.615 55.933 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 28.349 89.901 55.247 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 38.711 65.933 10.865 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 38.051 65.241 10.916 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 39.418 65.631 11.435 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 20.844 30.342 22.856 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 20.867 30.623 21.942 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 20.878 31.156 23.359 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 85.345 46.346 -6.319 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 85.045 45.606 -5.792 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 84.543 46.730 -6.673 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 60.374 84.699 40.741 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 60.108 84.490 41.637 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 60.959 83.985 40.491 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 36.150 44.331 -19.458 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 36.211 44.903 -18.693 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 36.923 43.769 -19.400 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 52.339 13.043 6.403 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 52.340 13.993 6.522 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 52.080 12.694 7.255 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 55.189 73.834 59.978 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 54.643 73.883 60.763 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 54.630 73.414 59.324 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 88.204 44.781 -19.969 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 88.920 44.776 -19.333 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 87.589 45.433 -19.634 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 86.153 21.327 46.611 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 85.932 21.959 47.295 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 85.528 20.612 46.733 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 47.110 9.929 34.609 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 47.951 10.342 34.413 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 47.214 9.023 34.318 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 68.115 25.455 55.299 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 68.630 25.707 54.532 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 67.802 24.573 55.098 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 33.999 21.014 16.780 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 34.413 21.686 16.239 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 33.087 21.294 16.854 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 70.490 51.764 58.332 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 69.880 52.430 58.014 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 70.417 51.050 57.699 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 80.967 24.911 62.626 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 81.704 24.881 62.016 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 80.819 25.844 62.778 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 60.333 43.055 64.565 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 59.684 42.706 63.954 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 60.194 44.002 64.549 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 79.393 74.019 10.760 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 78.702 74.307 11.357 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 79.054 74.219 9.887 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 61.300 73.052 -15.629 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 61.734 73.036 -14.776 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 60.376 72.893 -15.432 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 74.379 25.145 -17.804 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 74.603 24.496 -17.138 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 74.870 25.927 -17.552 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 62.088 64.660 32.704 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 61.517 64.436 31.970 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 62.103 65.617 32.714 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 80.388 70.882 66.671 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 79.559 71.085 66.239 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 80.142 70.640 67.563 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 47.503 34.686 38.874 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 46.950 35.449 38.705 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 48.141 34.990 39.519 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 55.842 46.356 64.591 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 56.541 45.808 64.947 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 55.054 46.072 65.054 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 29.015 47.153 62.627 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 29.324 47.957 63.044 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 29.638 46.997 61.917 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 87.690 66.478 60.563 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 87.059 66.276 61.254 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 88.233 67.176 60.930 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 34.619 41.558 3.140 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 35.443 41.248 2.764 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 34.774 42.484 3.328 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 22.553 19.205 49.989 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 22.944 19.103 49.121 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 21.611 19.241 49.825 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 64.560 95.848 38.057 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 64.020 96.589 38.332 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 64.713 95.995 37.124 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 42.436 6.202 -12.112 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 42.338 5.403 -11.593 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 42.526 6.900 -11.463 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 52.973 79.687 -17.015 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 52.709 80.172 -16.233 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 52.159 79.552 -17.499 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 78.548 56.323 46.029 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 78.295 57.055 45.467 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 78.066 56.469 46.843 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 29.713 96.253 41.471 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 29.869 95.918 42.354 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 29.307 97.109 41.607 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 36.938 11.298 -17.247 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 36.330 11.666 -17.888 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 36.511 10.496 -16.945 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 28.014 78.875 26.881 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 27.096 78.917 26.611 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 28.051 78.141 27.494 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 25.364 30.228 46.145 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 25.160 29.372 46.523 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 25.957 30.034 45.419 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 29.285 49.981 6.129 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 29.505 49.089 5.861 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 29.969 50.218 6.756 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 37.586 6.045 34.717 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 37.119 5.892 33.896 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 36.895 6.181 35.365 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 57.128 75.468 -18.589 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 57.337 75.518 -17.656 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 56.180 75.336 -18.616 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 76.218 70.076 41.979 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 76.379 69.734 41.099 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 76.621 70.944 41.977 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 46.927 55.817 -16.130 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 47.793 55.836 -15.723 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 46.320 55.989 -15.409 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 78.075 58.835 53.503 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 78.224 58.297 54.281 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 78.924 58.859 53.062 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 52.102 81.730 1.413 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 52.641 81.019 1.761 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 51.324 81.293 1.067 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 88.769 57.386 55.870 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 88.576 57.719 56.746 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 88.071 57.740 55.319 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 83.392 89.583 63.040 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 82.871 89.561 62.238 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 83.297 88.706 63.412 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 79.934 31.764 -7.596 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 79.758 32.441 -6.942 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 80.844 31.912 -7.855 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 41.847 52.597 8.434 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 42.165 53.395 8.856 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 42.114 51.891 9.024 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 31.101 45.623 -13.782 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 30.820 46.527 -13.638 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 31.785 45.689 -14.449 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 42.987 36.736 1.304 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 43.439 37.480 0.906 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 43.598 36.409 1.965 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 72.203 93.966 34.391 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 71.696 94.437 33.729 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 72.850 94.603 34.694 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 52.739 81.721 49.541 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 51.825 81.861 49.292 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 53.158 81.394 48.745 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 42.308 42.877 28.830 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 42.647 42.160 28.294 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 43.003 43.535 28.818 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 29.318 24.772 58.759 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 29.467 25.402 59.464 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 29.623 25.219 57.970 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 31.953 56.858 45.374 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 32.392 57.670 45.626 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 32.358 56.186 45.923 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 80.097 14.608 53.403 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 79.219 14.271 53.580 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 80.503 13.942 52.848 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 30.377 94.980 50.786 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 30.120 95.832 50.433 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 30.662 94.480 50.021 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 74.002 64.455 43.681 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 73.280 64.353 43.061 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 74.744 64.024 43.257 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 81.335 55.361 -18.237 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 82.261 55.307 -18.002 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 81.078 54.456 -18.411 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 44.369 81.526 25.980 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 44.309 80.601 26.219 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 45.299 81.736 26.064 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 51.841 82.126 9.220 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 52.288 81.579 9.866 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 51.225 81.533 8.790 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 55.730 77.271 5.695 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 56.124 77.116 6.554 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 56.007 76.523 5.166 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 87.161 8.261 62.703 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 87.608 9.081 62.492 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 87.850 7.597 62.673 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 77.904 90.706 -12.315 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 78.375 91.529 -12.446 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 78.523 90.029 -12.587 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 28.198 31.048 31.350 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 27.445 30.967 30.764 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 27.912 31.664 32.024 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 81.109 22.662 5.570 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 82.038 22.432 5.556 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 81.082 23.571 5.272 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 22.744 36.288 54.637 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 22.768 37.245 54.603 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 21.831 36.064 54.457 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 39.965 13.247 16.101 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 40.497 13.345 16.891 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 40.551 13.493 15.385 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 45.897 94.439 -13.578 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 45.794 94.936 -14.389 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 46.238 93.590 -13.858 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 35.390 64.559 33.680 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 35.217 65.126 32.929 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 36.335 64.626 33.819 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 45.585 6.959 -2.001 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 46.083 6.835 -1.193 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 45.659 7.895 -2.188 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 70.157 7.728 -11.694 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 70.739 8.404 -11.347 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 69.292 8.137 -11.701 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 44.875 96.119 35.612 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 44.564 96.997 35.835 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 45.800 96.240 35.400 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 85.402 59.689 57.016 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 85.405 59.375 57.920 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 84.888 59.040 56.537 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 49.559 26.415 61.138 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 50.305 26.707 60.612 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 48.864 27.042 60.937 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 68.874 42.608 14.105 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 68.211 42.184 13.561 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 68.387 42.952 14.854 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 90.111 94.038 -7.062 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 90.613 94.372 -6.319 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 89.738 94.819 -7.470 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 28.862 54.648 9.510 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 29.598 55.172 9.828 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 28.207 55.292 9.243 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 57.756 30.954 -7.356 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 57.204 31.589 -7.812 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 57.237 30.683 -6.599 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 90.499 83.997 67.420 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 90.700 84.445 66.598 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 89.879 83.311 67.174 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 29.423 79.657 -8.633 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 28.847 79.580 -7.873 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 29.425 80.592 -8.839 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 49.536 77.256 57.425 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 49.553 76.641 58.158 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 49.849 78.081 57.796 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 38.054 63.944 45.514 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 37.921 64.749 45.014 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 38.595 63.395 44.946 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 90.439 91.624 36.482 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 90.357 91.332 35.574 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 89.883 91.024 36.978 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 53.355 4.465 1.077 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 53.900 4.927 1.715 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 53.414 4.995 0.282 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 66.777 74.413 -0.773 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 65.891 74.054 -0.731 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 66.807 75.062 -0.070 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 35.413 85.678 12.829 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 35.945 84.957 12.494 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 34.789 85.862 12.126 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 63.716 83.018 38.445 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 63.982 83.729 37.862 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 64.464 82.421 38.454 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 43.365 80.858 51.239 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 42.947 80.324 51.914 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 43.501 80.256 50.507 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 48.160 22.942 61.603 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 48.385 23.661 61.013 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 48.694 23.094 62.382 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 58.465 86.537 -13.123 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 59.308 86.872 -13.427 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 58.673 86.048 -12.327 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 76.647 30.680 -4.969 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 77.034 30.110 -4.305 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 76.312 31.429 -4.475 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 57.246 3.381 28.133 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 56.636 3.841 28.709 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 57.663 2.730 28.696 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 39.441 40.887 31.888 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 40.204 41.449 31.753 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 39.649 40.387 32.678 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 28.356 48.972 35.047 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 28.982 48.802 34.343 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 28.278 49.925 35.074 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 72.645 22.598 46.646 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 71.825 22.626 47.138 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 72.486 21.959 45.951 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 68.433 85.702 -19.067 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 67.807 85.123 -19.502 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 69.116 85.852 -19.721 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 43.490 39.635 2.889 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 44.261 39.604 3.456 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 42.889 40.232 3.335 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 78.489 11.566 -5.382 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 78.247 10.645 -5.481 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 77.772 12.049 -5.793 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 66.927 89.566 47.505 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 67.434 90.051 48.156 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 66.454 90.241 47.018 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 23.448 83.889 63.666 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 23.603 84.659 64.214 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 24.137 83.924 63.003 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 51.118 34.534 -14.854 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 50.557 34.294 -14.116 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 51.763 35.134 -14.479 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 86.336 27.472 42.312 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 86.935 26.892 42.782 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 86.830 28.284 42.196 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 42.488 63.712 -11.106 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 41.873 64.363 -10.767 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 42.686 63.154 -10.354 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 30.674 38.571 23.195 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 31.511 38.181 22.941 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 30.763 38.739 24.133 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 75.828 20.759 35.415 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 75.527 19.904 35.724 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 76.680 20.879 35.834 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 48.212 96.173 4.698 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 47.684 96.778 4.176 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 47.592 95.506 4.992 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 84.772 77.898 11.123 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 84.836 77.164 10.512 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 84.591 77.490 11.970 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 37.824 58.048 -15.634 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 38.170 58.509 -16.399 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 38.598 57.835 -15.113 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 85.271 42.392 29.102 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 84.850 41.563 29.331 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 85.697 42.221 28.262 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 24.788 23.943 7.428 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 24.411 24.306 8.229 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 24.037 23.613 6.936 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 85.987 84.268 17.959 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 86.903 84.216 17.684 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 85.810 83.419 18.363 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 64.075 8.520 16.884 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 64.547 8.067 17.583 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 63.838 9.366 17.264 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 40.004 9.368 -14.680 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 40.514 8.559 -14.704 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 40.091 9.733 -15.560 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 79.004 46.906 -19.325 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 79.015 47.555 -18.622 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 78.261 47.158 -19.873 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 75.067 3.111 46.753 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 75.765 2.461 46.836 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 75.414 3.760 46.141 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 61.370 66.454 64.803 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 61.892 66.525 65.602 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 61.958 66.747 64.106 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 38.162 44.994 5.964 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 38.819 44.377 5.641 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 38.382 45.117 6.888 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 23.058 12.240 52.171 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 22.378 12.832 52.492 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 23.595 12.781 51.592 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 65.161 17.725 44.563 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 65.696 17.810 43.774 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 65.226 18.579 44.990 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 27.415 36.583 5.302 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 27.837 35.726 5.240 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 27.558 36.856 6.208 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 25.381 80.135 43.127 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 26.233 79.847 42.798 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 25.541 80.359 44.044 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 62.519 15.847 25.665 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 62.825 16.754 25.668 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 61.860 15.819 24.972 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 66.699 3.304 -7.311 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 65.764 3.232 -7.119 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 66.756 3.220 -8.263 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 54.658 74.954 55.780 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 53.838 74.895 56.270 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 55.276 75.353 56.392 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 28.481 92.374 -1.257 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 27.687 91.842 -1.313 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 28.720 92.545 -2.168 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 35.002 90.750 36.202 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 35.461 90.484 35.405 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 35.698 91.016 36.803 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 60.068 48.483 36.011 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 59.545 49.188 35.629 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 60.082 48.674 36.948 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 23.755 48.379 -2.578 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 24.281 48.976 -2.047 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 22.857 48.519 -2.279 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 52.601 12.796 -0.417 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 52.711 13.736 -0.557 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 51.967 12.732 0.298 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 26.374 51.902 21.132 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 25.695 51.869 20.458 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 27.112 51.426 20.752 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 65.182 61.741 53.313 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 65.234 61.911 54.254 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 64.591 60.992 53.236 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 22.365 18.849 -17.149 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 22.860 19.667 -17.097 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 21.486 19.117 -17.417 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 22.535 58.074 48.224 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 22.217 58.360 49.080 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 22.462 58.850 47.669 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 76.507 89.187 -10.539 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 75.749 89.712 -10.281 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 77.121 89.819 -10.912 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 26.682 12.242 0.540 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 27.082 11.374 0.479 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 26.830 12.635 -0.321 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 57.542 23.728 -10.706 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 56.907 23.578 -11.406 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 58.146 22.989 -10.767 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 43.053 84.988 63.152 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 43.835 85.531 63.057 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 42.383 85.439 62.638 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 41.004 25.237 39.938 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 40.961 25.154 40.891 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 41.829 25.694 39.774 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 64.764 91.343 58.867 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 64.409 92.176 58.558 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 64.228 90.679 58.433 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 26.706 84.320 59.102 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 27.091 84.277 58.227 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 27.227 84.979 59.562 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 55.356 18.661 37.086 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 54.938 19.346 36.564 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 56.230 18.570 36.707 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 71.259 25.355 65.697 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 71.340 25.839 64.875 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 70.322 25.365 65.890 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 49.838 9.682 61.527 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 49.980 8.761 61.306 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 49.148 9.665 62.190 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 88.267 91.924 52.322 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 88.973 92.341 51.828 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 87.513 91.950 51.732 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 60.767 27.041 1.441 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 60.517 27.098 0.519 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 60.951 27.946 1.696 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 30.639 65.107 50.053 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 30.264 65.980 49.937 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 30.834 64.810 49.164 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 31.498 45.621 42.173 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 31.961 45.746 41.344 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 31.849 46.302 42.747 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 22.815 65.961 48.748 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 22.069 66.199 48.197 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 22.811 65.004 48.758 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 85.144 3.707 -15.742 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 85.748 4.216 -16.281 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 84.287 4.102 -15.903 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 42.386 25.561 48.091 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 42.494 25.983 48.944 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 41.898 26.197 47.569 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 41.655 55.047 -3.655 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 41.914 54.568 -2.867 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 42.096 55.893 -3.576 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 79.043 30.425 29.785 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 79.949 30.726 29.703 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 78.742 30.324 28.882 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 63.444 23.829 8.686 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 62.875 23.540 7.973 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 63.189 23.286 9.432 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 57.391 12.713 66.990 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 56.735 13.304 67.359 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 56.924 12.232 66.306 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 79.722 61.748 18.240 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 79.508 62.274 19.010 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 78.899 61.320 18.006 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 56.212 10.575 -6.944 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 56.168 9.811 -7.519 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 56.349 10.210 -6.069 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 31.532 12.789 41.673 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 31.722 11.858 41.786 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 30.772 12.948 42.232 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 34.294 28.318 17.020 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 34.545 27.394 17.001 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 34.645 28.678 16.205 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 62.803 57.833 54.744 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 62.908 56.903 54.544 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 63.236 58.285 54.020 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 21.640 31.929 29.723 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 22.380 32.167 29.164 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 21.446 31.021 29.491 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 34.087 69.871 -4.934 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 34.421 70.518 -5.555 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 33.342 70.301 -4.516 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 61.631 15.932 52.797 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 60.719 16.222 52.824 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 61.837 15.701 53.702 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 38.265 16.748 -1.180 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 37.728 16.055 -0.797 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 39.090 16.317 -1.404 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 48.359 19.880 61.844 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 47.946 20.597 61.363 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 48.482 19.192 61.190 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 52.783 14.783 65.022 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 52.872 13.856 65.243 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 53.605 15.006 64.584 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 32.128 23.451 -7.998 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 31.684 23.964 -8.673 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 32.873 23.992 -7.736 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 86.573 32.263 1.625 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 87.460 31.906 1.576 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 86.617 32.921 2.319 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 68.373 22.254 58.574 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 67.992 21.596 59.156 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 67.759 22.988 58.608 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 29.802 48.681 49.210 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 30.497 49.323 49.354 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 29.035 49.205 48.979 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 78.279 15.051 5.148 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 78.582 14.532 5.894 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 78.960 15.712 5.023 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 35.223 66.869 41.006 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 34.939 66.318 40.277 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 36.179 66.850 40.963 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 54.972 23.487 -7.167 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 54.146 23.958 -7.058 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 54.752 22.572 -6.993 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 46.546 22.233 59.805 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 47.187 22.583 60.424 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 45.709 22.299 60.264 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 36.808 76.915 -14.131 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 35.979 77.301 -13.846 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 36.781 76.017 -13.800 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 69.636 40.045 56.436 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 70.252 40.302 55.750 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 68.898 39.660 55.963 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 76.461 50.431 -13.967 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 76.342 49.502 -14.162 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 75.827 50.614 -13.274 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 52.501 44.279 47.004 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 51.577 44.527 46.965 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 52.720 44.026 46.107 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 51.991 9.011 37.204 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 52.238 9.326 38.074 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 51.950 9.802 36.666 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 47.419 62.768 52.651 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 48.166 63.180 52.215 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 46.857 62.473 51.934 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 32.813 73.083 4.691 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 32.941 73.958 5.059 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 32.720 73.230 3.750 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 69.945 1.443 26.367 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 70.022 0.511 26.164 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 70.807 1.687 26.704 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 69.251 83.292 52.530 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 69.170 82.470 53.015 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 69.435 83.023 51.630 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 60.997 93.223 1.190 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 60.590 93.819 1.819 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 60.268 92.716 0.833 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 25.857 2.346 43.286 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 25.622 1.484 42.942 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 25.830 2.240 44.237 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 27.790 92.753 63.878 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 27.180 92.833 64.612 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 27.773 91.823 63.653 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 40.823 8.418 49.010 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 41.400 8.110 48.311 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 41.183 9.268 49.262 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 74.573 8.700 40.547 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 73.689 8.544 40.881 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 75.134 8.646 41.321 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 37.272 54.933 -13.182 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 37.467 54.725 -12.268 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 38.125 55.122 -13.572 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 78.617 11.397 52.940 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 78.196 11.701 52.136 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 77.962 11.541 53.623 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 24.101 61.050 0.650 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 24.664 61.115 -0.122 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 24.366 60.232 1.071 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 81.630 1.239 -17.110 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 81.439 2.149 -17.337 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 82.135 1.295 -16.299 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 63.794 10.262 1.964 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 63.875 10.984 2.588 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 64.624 9.791 2.034 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 74.797 58.652 58.567 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 74.320 57.830 58.454 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 75.164 58.837 57.702 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 87.799 11.523 43.408 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 87.596 11.908 44.261 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 88.743 11.369 43.432 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 72.145 69.727 28.659 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 72.326 70.540 28.188 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 71.816 70.012 29.511 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 43.358 26.823 39.684 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 44.270 27.115 39.714 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 42.868 27.597 39.407 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 49.876 77.178 39.280 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 50.355 77.970 39.523 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 49.125 77.161 39.873 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 82.778 12.527 46.931 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 83.479 12.042 47.366 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 82.512 13.188 47.570 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 84.575 31.118 51.130 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 84.880 31.983 50.855 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 85.025 30.958 51.959 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 64.525 59.040 59.429 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 64.039 59.802 59.114 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 64.639 58.491 58.653 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 54.432 75.898 -5.634 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 53.827 75.782 -6.367 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 54.877 75.055 -5.554 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 46.439 62.153 58.763 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 47.193 62.013 58.191 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 45.907 62.803 58.305 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 81.655 83.670 46.642 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 82.374 83.512 46.029 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 81.618 84.622 46.728 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 39.501 75.364 -1.365 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 40.379 74.986 -1.324 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 39.274 75.545 -0.453 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 60.299 19.156 6.902 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 59.994 19.921 7.391 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 60.981 19.498 6.324 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 83.352 92.293 66.337 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 83.990 91.588 66.451 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 82.652 91.902 65.815 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 83.452 47.593 67.391 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 84.089 47.501 66.682 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 82.752 46.981 67.165 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 48.999 72.679 51.687 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 48.252 73.207 51.968 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 49.758 73.247 51.817 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 84.871 87.011 43.017 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 84.993 87.545 42.232 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 84.122 87.407 43.463 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 28.391 9.989 50.628 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 29.296 9.691 50.538 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 27.867 9.191 50.557 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 35.134 45.462 38.699 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 35.769 46.090 38.354 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 35.186 44.715 38.103 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 57.852 38.827 39.337 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 57.022 38.905 38.867 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 58.320 39.636 39.132 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 38.933 71.309 29.188 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 39.078 70.375 29.039 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 39.811 71.690 29.200 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 40.905 67.540 -8.320 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 40.153 67.119 -7.904 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 41.337 68.015 -7.611 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 55.238 52.427 57.812 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 56.010 52.926 57.548 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 54.497 52.961 57.526 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 61.338 93.983 47.783 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 60.750 94.226 47.068 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 60.755 93.694 48.485 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 79.465 89.338 63.020 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 80.121 89.358 62.324 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 79.888 88.865 63.736 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 76.759 46.749 -9.253 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 76.412 46.831 -8.365 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 77.522 46.178 -9.161 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 38.196 14.418 36.383 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 37.724 14.378 35.551 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 39.073 14.094 36.177 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 46.902 58.580 63.080 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 46.518 58.493 62.207 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 47.317 59.443 63.075 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 24.138 56.936 42.274 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 23.373 57.325 42.699 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 23.880 56.032 42.097 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 49.794 9.624 52.398 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 48.899 9.285 52.390 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 50.214 9.211 51.644 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 74.742 26.534 43.408 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 74.232 26.040 44.051 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 74.211 27.310 43.227 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 49.869 30.101 -17.693 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 50.176 30.864 -17.203 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 49.201 29.708 -17.131 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 90.306 4.141 54.602 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 90.701 3.536 55.231 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 89.664 3.610 54.130 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 36.812 86.086 21.861 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 37.607 85.916 22.365 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 36.938 85.603 21.044 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 38.970 9.729 53.509 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 39.118 8.794 53.650 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 38.525 10.024 54.303 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 49.797 42.489 32.440 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 50.434 42.840 31.819 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 49.364 41.779 31.965 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 43.021 16.103 50.769 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 43.361 15.387 51.305 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 42.080 15.935 50.715 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 70.634 25.228 -9.367 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 71.021 24.356 -9.292 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 70.327 25.278 -10.272 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 71.954 95.921 30.625 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 71.477 95.345 31.222 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 71.827 95.529 29.761 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 34.482 25.012 -0.632 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 34.232 24.331 -1.256 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 35.225 25.454 -1.044 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 23.516 87.604 -18.751 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 23.970 88.433 -18.599 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 24.022 86.960 -18.256 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 37.498 37.785 43.562 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 37.425 37.309 42.734 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 37.755 38.671 43.308 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 80.663 59.248 22.058 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 80.814 59.536 22.959 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 79.978 58.584 22.130 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 83.213 83.694 30.105 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 82.456 84.191 30.415 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 83.155 82.856 30.565 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 51.666 75.691 50.973 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 50.763 76.006 50.950 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 51.641 74.931 51.554 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 47.808 88.970 39.331 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 47.512 88.294 38.722 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 48.133 88.485 40.089 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 39.359 63.275 36.499 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 38.609 63.711 36.902 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 40.033 63.952 36.451 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 68.251 22.744 31.383 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 67.326 22.698 31.141 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 68.680 23.126 30.617 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 83.296 0.095 31.743 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 84.135 0.554 31.784 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 82.988 0.237 30.847 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 54.519 81.769 46.596 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 53.909 81.123 46.240 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 55.379 81.357 46.516 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 89.577 65.567 62.717 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 88.818 64.990 62.632 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 89.739 65.613 63.660 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 31.209 13.769 9.041 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 31.339 13.856 9.985 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 31.786 14.428 8.657 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 77.835 3.576 64.621 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 78.484 3.177 64.042 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 77.549 4.362 64.155 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 28.813 56.979 18.163 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 28.757 57.688 18.804 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 29.329 57.345 17.444 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 57.114 93.652 -4.643 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 56.488 93.525 -3.930 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 56.775 94.403 -5.130 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 47.428 4.692 61.404 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 47.949 4.050 60.921 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 47.135 5.314 60.738 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 68.021 85.403 -3.992 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 67.348 85.743 -4.581 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 68.174 86.112 -3.367 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 32.883 90.235 -8.295 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 32.660 89.992 -7.397 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 33.835 90.333 -8.288 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 34.805 31.428 5.951 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 34.454 31.883 6.717 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 35.097 30.581 6.288 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 25.786 32.301 37.586 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 25.992 33.046 37.021 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 25.978 31.532 37.049 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 26.788 84.615 48.462 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 26.212 84.611 49.227 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 26.219 84.372 47.732 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 30.522 30.822 1.841 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 30.631 30.059 1.273 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 30.646 31.573 1.260 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 51.559 52.759 43.328 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 52.241 52.770 42.657 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 51.142 53.618 43.260 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 37.743 46.556 51.961 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 38.050 46.928 52.788 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 37.780 47.285 51.342 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 78.866 92.394 -1.872 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 79.468 91.797 -1.429 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 79.411 93.140 -2.124 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 25.272 31.427 14.599 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 25.055 32.141 13.999 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 25.514 31.865 15.415 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 79.978 78.979 53.211 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 80.548 78.776 52.470 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 80.425 78.603 53.969 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 26.933 30.990 21.953 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 26.114 31.087 21.467 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 27.518 31.643 21.569 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 33.131 76.337 -2.556 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 32.590 75.906 -1.894 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 33.287 75.660 -3.214 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 76.828 65.187 57.831 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 77.108 65.556 56.993 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 76.577 64.286 57.624 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 66.159 96.655 30.375 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 66.997 96.331 30.043 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 65.503 96.242 29.813 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 84.264 18.385 54.030 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 85.215 18.281 54.005 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 83.939 17.791 53.354 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 72.119 40.984 19.559 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 72.160 40.697 18.647 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 71.210 40.831 19.818 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 53.766 58.389 -5.243 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 53.790 58.237 -4.298 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 54.672 58.590 -5.477 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 79.756 32.189 65.583 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 79.589 33.129 65.651 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 78.950 31.778 65.897 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 62.135 53.545 64.358 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 63.008 53.175 64.225 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 62.291 54.473 64.531 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 87.077 94.349 38.405 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 87.204 93.429 38.636 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 86.642 94.324 37.552 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 31.213 18.195 -4.503 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 30.970 17.270 -4.527 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 31.592 18.367 -5.365 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 87.160 39.101 43.940 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 87.964 39.214 44.446 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 87.276 39.666 43.176 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 37.454 38.292 1.197 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 38.131 38.086 0.553 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 37.931 38.674 1.934 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 30.145 40.731 63.003 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 30.899 41.190 62.633 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 29.667 40.403 62.242 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 57.586 68.278 28.329 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 58.179 68.415 27.590 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 56.860 67.773 27.963 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 53.043 38.362 64.459 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 52.320 38.652 65.016 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 53.098 39.026 63.772 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 32.726 79.527 52.036 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 32.285 79.535 51.186 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 33.327 78.784 51.988 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 34.863 1.932 46.100 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 35.254 2.197 46.932 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 34.466 2.733 45.756 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 36.470 74.135 29.468 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 37.179 73.575 29.785 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 36.524 74.921 30.012 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 70.986 45.424 -17.013 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 71.811 45.084 -17.358 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 70.371 45.349 -17.743 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 77.399 61.323 49.270 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 76.737 61.626 49.890 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 76.897 60.947 48.547 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 38.189 17.875 25.253 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 38.304 18.223 26.137 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 38.929 18.226 24.758 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 80.974 5.657 5.966 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 80.727 5.203 5.161 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 81.901 5.453 6.083 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 86.478 16.102 44.983 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 85.731 15.515 45.095 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 86.095 16.979 44.974 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 37.567 84.056 47.617 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 37.474 83.803 48.536 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 37.334 84.984 47.599 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 62.220 22.648 24.684 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 62.056 22.975 25.568 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 61.590 23.115 24.135 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 44.833 83.380 -0.853 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 45.190 82.564 -0.502 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 45.080 84.045 -0.211 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 35.153 82.378 8.460 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 35.040 82.059 7.565 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 35.729 81.735 8.874 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 53.755 15.135 -10.287 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 53.917 16.039 -10.015 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 53.337 14.728 -9.528 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 47.984 32.506 45.387 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 48.404 33.251 45.816 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 47.997 32.726 44.456 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 47.541 31.256 -6.013 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 48.452 31.069 -5.790 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 47.349 32.082 -5.568 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 30.597 15.679 36.802 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 30.633 15.369 37.707 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 31.453 15.453 36.437 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 65.839 4.009 13.040 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 66.166 4.564 13.748 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 65.017 4.420 12.773 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 72.543 50.070 -19.015 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 71.809 50.450 -18.532 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 72.310 50.184 -19.936 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 80.996 19.448 53.974 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 80.582 19.105 53.182 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 81.927 19.259 53.859 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 21.491 11.634 45.228 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 21.606 12.030 44.365 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 22.382 11.476 45.541 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 37.242 54.612 61.632 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 36.660 54.110 61.061 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 36.731 54.757 62.428 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 27.273 37.303 41.280 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 28.134 37.714 41.202 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 26.779 37.636 40.530 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 65.122 66.216 43.822 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 64.909 65.615 43.109 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 65.873 66.714 43.500 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 57.790 28.156 -8.176 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 57.942 29.065 -7.916 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 57.291 27.780 -7.451 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 25.921 47.927 23.828 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 26.354 47.538 24.587 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 25.495 47.189 23.391 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 89.519 16.324 60.976 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 90.141 15.608 61.105 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 89.977 17.100 61.300 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 20.679 95.767 37.953 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 19.934 95.747 37.352 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 20.960 96.682 37.958 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 69.607 90.944 28.538 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 69.200 90.158 28.904 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 70.171 90.618 27.837 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 82.961 86.256 66.098 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 82.531 87.050 66.417 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 83.365 85.872 66.876 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 59.144 38.645 3.199 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 58.239 38.926 3.337 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 59.670 39.415 3.413 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 75.453 83.701 24.282 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 75.378 83.614 23.331 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 74.993 82.937 24.629 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 24.035 49.838 26.725 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 23.127 49.532 26.719 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 24.300 49.820 25.806 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 63.276 14.919 -16.620 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 63.507 14.037 -16.328 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 64.006 15.186 -17.179 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 53.513 6.336 -0.993 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 52.796 6.908 -0.720 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 54.289 6.895 -0.968 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 23.722 82.541 19.426 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 23.860 81.812 20.030 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 22.792 82.750 19.511 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 86.897 50.684 -12.617 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 87.355 49.868 -12.819 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 85.969 50.465 -12.703 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 31.932 49.902 -9.760 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 32.741 49.602 -9.345 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 31.568 49.117 -10.170 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 63.404 25.686 -1.092 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 63.463 26.567 -0.721 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 62.514 25.399 -0.888 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 65.903 50.943 65.958 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 65.819 50.707 66.882 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 65.098 50.621 65.554 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 88.594 3.896 -18.303 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 88.297 3.058 -18.658 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 87.790 4.340 -18.032 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 27.476 61.192 -19.249 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 27.592 60.602 -18.505 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 27.614 60.638 -20.018 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 30.559 57.573 47.770 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 30.905 57.107 47.009 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 30.731 56.989 48.509 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 39.866 72.472 35.443 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 40.154 73.381 35.529 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 39.540 72.240 36.313 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 58.212 73.371 -6.684 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 57.422 72.942 -6.353 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 58.890 73.152 -6.045 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 30.107 61.484 -10.432 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 29.833 60.752 -10.985 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 29.966 61.175 -9.537 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 78.709 35.872 54.856 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 79.068 35.857 53.969 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 79.456 35.672 55.420 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 87.403 50.269 42.898 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 86.578 50.600 42.541 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 87.296 50.331 43.847 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 60.111 54.153 52.956 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 60.896 53.710 52.635 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 59.400 53.798 52.423 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 23.732 6.066 62.059 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 24.307 5.992 61.298 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 23.578 7.006 62.154 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 84.510 48.204 -10.780 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 85.277 47.921 -10.282 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 84.298 47.456 -11.339 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 47.667 38.632 -11.336 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 47.831 37.915 -10.723 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 47.259 38.211 -12.093 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 77.160 4.874 55.933 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 77.645 4.620 56.718 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 77.078 4.064 55.429 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 89.906 37.591 -4.004 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 90.233 38.410 -4.376 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 90.292 37.554 -3.129 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 88.156 22.581 57.788 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 88.638 23.046 57.104 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 87.453 22.128 57.321 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 86.364 92.140 -15.646 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 86.236 91.312 -16.110 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 85.487 92.391 -15.356 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 35.397 55.621 40.174 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 35.885 56.441 40.105 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 34.581 55.863 40.612 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 87.353 48.458 -0.253 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 87.149 49.088 0.437 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 86.720 47.751 -0.128 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 66.760 48.421 -8.640 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 66.497 48.639 -7.746 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 66.696 49.247 -9.118 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 72.349 28.532 44.830 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 72.081 29.101 44.108 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 71.951 27.685 44.628 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 37.370 14.022 -18.877 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 38.252 13.722 -19.097 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 37.034 13.356 -18.277 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 88.928 3.274 43.083 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 88.699 3.656 43.930 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 89.822 2.952 43.198 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 54.962 65.332 45.435 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 54.241 65.569 44.850 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 54.597 64.654 46.003 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 30.294 48.918 -17.353 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 29.497 48.907 -16.822 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 31.007 48.849 -16.717 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 37.842 31.780 59.885 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 37.926 32.266 60.705 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 37.942 30.862 60.139 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 26.816 60.533 21.420 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 26.374 61.294 21.043 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 27.453 60.903 22.031 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 73.274 8.086 47.989 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 74.024 8.074 48.582 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 73.248 7.204 47.618 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 33.243 34.529 33.568 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 34.141 34.588 33.896 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 33.340 34.429 32.621 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 36.036 93.662 44.385 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 36.286 94.072 43.557 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 36.272 94.306 45.053 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 47.447 91.535 -4.775 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 47.322 90.608 -4.982 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 48.154 91.543 -4.130 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 29.380 40.132 16.043 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 30.169 40.370 16.531 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 29.675 40.051 15.136 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 71.157 73.545 60.740 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 71.630 74.005 60.047 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 70.393 73.171 60.302 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 35.680 33.560 47.396 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 35.555 33.802 48.313 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 35.958 34.370 46.969 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 35.738 54.185 27.994 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 36.449 54.822 28.072 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 35.490 54.213 27.070 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 61.522 58.135 -16.981 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 60.772 58.704 -16.809 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 62.280 58.718 -16.936 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 32.331 74.255 -12.194 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 33.217 74.124 -11.856 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 31.790 74.370 -11.412 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 38.797 36.473 49.741 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 39.063 37.281 49.302 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 37.939 36.269 49.369 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 63.953 23.263 -17.399 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 63.603 23.438 -18.272 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 63.747 24.050 -16.896 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 32.614 55.596 32.440 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 32.922 56.496 32.337 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 33.410 55.084 32.580 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 53.617 42.831 53.546 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 54.200 43.589 53.518 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 52.736 43.204 53.527 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 27.898 67.940 27.445 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 27.868 67.242 28.099 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 28.558 68.550 27.775 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 89.434 42.742 60.548 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 90.017 42.058 60.220 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 89.897 43.111 61.301 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 25.097 11.954 67.195 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 25.817 12.262 66.645 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 24.834 11.122 66.802 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 52.725 79.882 19.929 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 53.117 79.913 20.801 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 53.413 80.200 19.345 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 58.340 41.845 66.412 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 59.272 41.916 66.622 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 58.200 42.491 65.720 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 52.363 32.524 -9.285 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 53.178 32.233 -9.693 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 51.898 31.715 -9.070 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 71.566 93.060 51.164 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 71.344 92.521 50.404 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 71.239 92.563 51.914 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 36.566 5.016 -8.690 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 36.169 5.209 -9.539 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 37.476 5.300 -8.780 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 28.036 25.480 3.335 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 27.270 25.423 3.907 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 28.408 26.342 3.519 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 47.349 71.286 61.666 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 48.239 71.268 62.017 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 47.278 70.484 61.150 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 58.605 0.298 4.811 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 57.658 0.284 4.950 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 58.891 1.129 5.191 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 23.061 58.780 62.732 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 23.285 58.922 63.652 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 22.644 59.597 62.458 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 52.991 77.862 43.611 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 52.213 77.304 43.612 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 52.957 78.320 42.770 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 88.236 48.990 -3.120 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 87.924 48.174 -3.512 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 88.302 48.797 -2.185 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 55.464 77.095 54.075 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 55.117 76.755 54.899 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 55.149 76.483 53.410 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 79.085 78.570 5.072 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 78.568 77.847 5.430 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 78.534 79.343 5.197 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 47.269 32.237 63.124 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 46.936 32.253 62.227 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 46.742 32.888 63.587 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 40.216 91.334 53.084 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 40.555 91.661 53.918 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 40.844 90.662 52.817 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 20.704 37.119 -1.345 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 21.085 37.588 -0.604 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 20.538 36.237 -1.011 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 63.450 79.119 12.309 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 64.191 78.741 11.835 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 63.042 78.374 12.751 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 61.946 89.485 14.631 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 61.541 89.089 13.859 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 62.715 88.941 14.804 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 38.187 34.051 44.077 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 37.503 33.446 43.790 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 38.553 34.403 43.265 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 34.685 69.854 32.956 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 35.123 69.033 32.733 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 35.280 70.536 32.644 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 75.636 94.979 47.633 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 76.196 94.255 47.357 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 75.393 94.766 48.534 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 26.968 47.500 48.359 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 26.400 47.535 49.128 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 27.315 48.388 48.276 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 82.844 36.522 49.941 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 83.631 36.883 50.349 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 82.357 37.290 49.639 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 30.126 21.387 62.970 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 29.895 22.131 62.414 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 30.886 20.993 62.541 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 68.283 17.294 -10.324 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 67.710 16.721 -10.834 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 68.492 18.015 -10.919 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 30.515 26.042 38.188 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 30.237 25.591 38.985 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 31.350 25.634 37.960 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 32.876 55.504 15.373 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 33.275 55.627 14.511 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 33.530 55.834 15.989 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 28.944 34.599 -11.313 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 28.699 35.106 -12.086 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 29.415 35.220 -10.757 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 82.084 32.505 24.060 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 82.994 32.214 24.010 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 81.669 31.890 24.666 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 54.452 4.517 41.884 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 54.595 4.734 40.963 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 55.319 4.585 42.284 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 40.972 53.703 14.731 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 41.696 53.279 15.191 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 40.588 54.292 15.380 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 72.410 21.315 63.614 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 72.930 22.071 63.889 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 72.510 21.289 62.663 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 43.440 43.820 -18.888 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 44.047 44.337 -18.359 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 43.060 43.192 -18.273 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 68.320 92.584 63.024 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 67.824 91.788 62.833 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 69.237 92.315 62.962 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 48.882 92.637 39.084 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 47.930 92.546 39.118 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 49.195 92.177 39.863 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 50.894 70.515 3.563 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 51.551 70.936 4.118 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 50.706 69.685 4.002 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 61.626 26.357 55.775 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 62.058 25.505 55.837 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 60.778 26.167 55.373 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 50.074 6.594 61.922 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 49.427 6.200 62.507 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 50.654 5.871 61.683 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 61.902 39.329 24.933 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 62.388 38.773 24.323 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 61.312 39.838 24.377 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 56.520 53.855 65.372 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 56.537 54.068 64.439 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 55.825 54.407 65.731 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 50.787 19.192 38.602 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 50.013 18.893 39.079 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 50.647 18.889 37.705 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 50.484 80.452 4.947 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 50.691 79.581 5.288 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 51.314 80.778 4.600 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 77.430 1.432 42.532 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 77.205 1.990 43.277 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 76.990 1.840 41.786 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 57.282 8.258 -14.023 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 57.705 8.428 -14.864 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 57.463 7.335 -13.845 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 71.615 93.742 -15.433 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 70.992 94.466 -15.366 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 72.395 94.054 -14.975 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 76.942 41.162 59.607 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 77.344 41.727 58.948 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 76.968 40.286 59.222 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 24.685 84.678 -18.589 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 25.187 84.661 -17.773 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 24.029 83.990 -18.481 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 73.113 32.000 -8.510 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 73.262 31.934 -7.567 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 73.959 31.785 -8.903 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 73.657 80.190 24.546 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 73.073 79.460 24.748 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 74.260 80.227 25.289 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 52.520 92.924 23.565 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 53.381 92.875 23.980 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 52.126 92.067 23.726 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 75.918 34.246 52.846 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 75.443 34.085 52.030 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 76.725 33.740 52.757 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 75.785 38.731 44.240 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 75.421 39.414 43.677 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 76.614 39.093 44.552 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 70.990 34.913 -5.580 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 70.096 35.224 -5.434 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 70.968 33.991 -5.326 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 55.681 11.077 18.049 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 55.720 11.827 18.642 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 56.540 11.059 17.627 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 28.983 30.559 48.233 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 28.883 30.655 47.286 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 28.857 29.624 48.395 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 72.783 56.756 17.634 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 73.093 55.886 17.885 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 71.832 56.707 17.724 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 45.206 18.926 -4.227 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 45.714 18.263 -3.759 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 44.903 18.481 -5.018 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 61.576 38.379 55.249 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 61.363 38.106 54.356 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 60.921 39.043 55.461 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 44.749 46.421 44.487 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 44.860 47.372 44.466 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 45.639 46.074 44.427 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 31.020 36.240 49.274 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 31.290 37.125 49.029 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 31.006 35.757 48.448 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 37.810 92.547 57.405 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 37.498 92.193 58.238 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 38.740 92.722 57.552 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 36.152 90.121 -10.092 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 35.370 90.650 -10.248 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 36.880 90.734 -10.191 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 61.355 14.785 -8.900 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 60.518 14.563 -9.309 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 61.917 15.046 -9.629 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 34.158 4.725 66.166 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 33.604 5.438 66.484 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 34.032 4.021 66.803 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 76.839 50.105 -8.171 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 76.735 49.158 -8.087 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 77.042 50.404 -7.285 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 53.622 14.429 60.548 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 53.756 14.536 59.606 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 54.201 15.078 60.948 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 34.230 77.424 65.707 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 33.837 78.208 65.322 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 33.619 77.164 66.397 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 56.985 78.267 66.655 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 57.633 78.923 66.398 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 56.863 77.730 65.872 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 29.302 70.028 -9.264 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 29.466 69.993 -8.321 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 29.131 69.120 -9.512 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 86.463 9.013 -6.054 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 86.137 8.897 -6.946 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 87.356 9.340 -6.165 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 34.521 41.289 32.521 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 34.859 42.032 33.021 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 35.266 40.990 32.000 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 88.227 41.172 28.677 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 87.688 41.174 27.886 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 88.655 42.029 28.678 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 24.465 13.817 50.511 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 24.799 14.666 50.221 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 24.927 13.179 49.967 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 86.292 15.231 42.027 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 86.163 14.961 42.936 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 86.897 14.583 41.667 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 74.569 38.944 -9.027 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 75.029 39.782 -8.965 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 73.711 39.112 -8.639 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 89.365 55.061 58.667 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 89.757 55.463 57.892 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 89.956 55.294 59.383 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 35.694 37.018 28.960 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 35.012 36.922 28.295 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 36.320 37.631 28.575 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 48.807 42.719 -18.978 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 49.682 42.670 -19.363 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 48.700 43.641 -18.743 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 70.203 51.061 -14.119 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 70.046 50.171 -13.802 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 71.148 51.184 -14.029 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 50.910 25.777 -19.336 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 51.762 25.400 -19.559 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 51.055 26.723 -19.350 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 60.678 56.686 35.284 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 59.830 56.672 35.727 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 60.518 57.171 34.475 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 33.477 37.132 64.917 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 34.239 37.029 64.346 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 33.571 38.010 65.287 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 40.146 16.579 20.024 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 40.017 16.933 19.144 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 40.945 17.002 20.338 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 20.161 53.443 15.816 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 19.857 54.011 16.524 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 20.902 53.914 15.433 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 85.124 7.735 52.126 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 85.738 8.163 51.529 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 84.419 8.371 52.241 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 51.254 86.012 -17.457 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 51.086 86.852 -17.029 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 51.038 85.357 -16.794 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 37.437 36.448 41.050 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 36.807 35.729 41.011 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 37.003 37.172 40.598 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 43.669 54.092 -1.854 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 43.976 53.190 -1.764 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 44.349 54.620 -1.433 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 44.196 36.329 45.478 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 44.027 36.826 44.677 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 43.999 35.422 45.244 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 32.305 30.229 55.047 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 32.665 30.956 54.540 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 32.994 29.564 55.036 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 54.168 21.066 -8.821 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 54.349 21.992 -8.659 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 53.213 21.008 -8.843 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 50.388 89.961 62.150 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 51.173 89.834 61.618 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 49.917 90.673 61.717 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 34.125 87.744 45.382 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 33.644 87.093 45.893 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 33.686 87.752 44.531 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 84.654 94.176 -1.603 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 84.592 93.271 -1.300 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 83.976 94.641 -1.112 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 80.794 59.083 -12.344 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 81.078 58.410 -11.726 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 80.401 59.762 -11.796 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 75.297 73.727 46.022 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 75.727 74.533 46.309 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 75.320 73.771 45.066 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 38.678 50.041 31.163 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 39.245 50.764 31.434 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 39.204 49.547 30.534 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 27.018 45.964 32.416 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 26.228 46.258 31.963 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 27.660 45.835 31.718 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 63.102 25.605 -15.754 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 62.918 26.189 -15.018 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 63.172 26.188 -16.510 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 71.348 18.065 43.857 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 71.554 18.433 42.998 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 70.392 18.085 43.904 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 26.480 19.850 40.634 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 26.880 19.013 40.399 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 27.196 20.360 41.013 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 79.938 26.335 42.955 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 79.557 26.702 42.157 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 79.209 26.300 43.574 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 31.364 29.829 19.246 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 31.352 30.734 18.934 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 31.964 29.840 19.992 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 47.613 1.436 6.573 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 47.445 0.939 7.373 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 47.836 0.772 5.920 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 27.114 42.301 -14.969 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 26.377 42.067 -14.404 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 27.729 42.749 -14.388 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 79.134 64.638 -9.221 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 79.220 65.083 -8.378 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 78.512 63.929 -9.056 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 34.144 39.834 13.246 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 34.792 40.383 13.688 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 34.611 39.020 13.053 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 37.800 58.997 12.202 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 38.421 59.427 11.613 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 38.062 59.283 13.077 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 39.309 52.787 -8.327 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 38.924 52.486 -7.504 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 39.238 53.741 -8.291 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 35.352 10.408 -5.288 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 34.422 10.513 -5.487 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 35.623 9.647 -5.802 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 36.498 17.419 43.842 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 35.896 17.294 43.108 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 37.093 18.109 43.548 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 63.559 56.399 39.712 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 62.831 55.894 39.350 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 64.097 56.622 38.953 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 28.674 94.551 23.989 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 29.008 94.891 24.819 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 29.344 93.933 23.696 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 48.010 78.683 -12.031 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 48.342 78.706 -11.134 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 47.363 77.978 -12.030 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 35.572 92.660 62.473 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 35.683 92.810 61.534 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 34.703 93.011 62.671 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 23.389 75.172 47.368 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 23.223 74.386 46.848 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 24.338 75.291 47.326 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 71.564 69.720 4.235 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 70.868 70.120 4.756 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 71.751 68.892 4.678 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 58.003 61.092 -19.954 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 57.056 61.134 -19.820 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 58.360 60.909 -19.084 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 38.863 71.290 52.034 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 38.137 70.731 51.756 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 39.647 70.769 51.861 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 90.233 27.023 51.022 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 90.106 26.791 50.102 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 90.805 26.337 51.366 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 83.623 69.754 53.172 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 83.336 70.399 53.819 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 83.884 68.993 53.691 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 77.536 94.406 -6.349 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 77.442 94.846 -5.504 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 77.802 93.514 -6.126 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 81.575 57.677 52.034 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 82.460 57.921 51.764 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 81.206 57.232 51.271 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 78.816 41.439 -2.234 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 77.962 41.251 -2.622 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 78.938 42.380 -2.365 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 48.991 49.755 -0.376 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 48.235 49.556 0.176 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 49.262 50.632 -0.106 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 74.671 36.635 20.787 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 74.112 35.973 20.382 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 74.268 37.470 20.547 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 48.513 33.361 36.676 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 48.199 33.624 37.541 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 48.557 34.178 36.178 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 50.252 12.505 24.047 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 49.713 12.810 23.317 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 49.651 11.999 24.593 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 23.126 25.251 60.428 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 22.484 25.371 61.128 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 22.765 24.547 59.889 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 57.176 51.611 66.994 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 56.747 52.060 66.266 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 57.051 50.680 66.809 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 73.411 11.618 -17.327 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 73.766 11.298 -18.156 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 73.759 11.016 -16.669 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 70.213 73.198 57.723 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 71.067 73.343 57.316 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 69.723 74.001 57.546 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 30.791 49.952 62.484 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 30.592 50.011 63.418 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 31.723 49.739 62.450 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 85.978 67.870 0.381 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 85.045 67.741 0.553 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 86.345 66.986 0.372 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 52.555 58.639 15.461 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 52.726 58.100 16.234 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 51.776 59.145 15.690 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 59.359 93.541 -2.973 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 59.013 93.987 -2.199 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 58.617 93.500 -3.577 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 44.189 53.076 -13.648 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 43.569 53.368 -14.316 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 45.047 53.328 -13.990 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 35.022 13.878 60.482 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 34.079 14.042 60.463 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 35.272 13.809 59.561 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 71.658 96.089 -11.171 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 71.986 96.559 -10.404 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 70.734 95.932 -10.979 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 67.310 4.592 -2.050 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 67.372 5.438 -1.604 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 67.881 4.681 -2.813 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 32.040 39.869 26.407 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 32.128 40.560 25.751 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 32.858 39.375 26.346 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 61.136 3.885 37.546 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 62.063 4.063 37.385 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 60.723 4.748 37.545 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 82.488 3.894 -18.576 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 83.294 4.393 -18.713 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 81.862 4.535 -18.241 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 42.838 83.553 24.560 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 43.451 82.853 24.785 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 41.998 83.258 24.911 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 71.531 2.826 44.478 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 70.742 2.325 44.272 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 71.308 3.309 45.273 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 77.706 77.007 9.614 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 78.572 76.654 9.817 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 77.161 76.751 10.358 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 36.406 69.383 51.353 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 35.737 69.702 51.958 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 35.990 69.424 50.491 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 43.913 13.921 63.918 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 43.314 14.035 63.180 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 43.642 14.585 64.552 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 87.222 12.820 -11.497 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 87.492 12.719 -10.584 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 86.299 12.567 -11.504 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 23.179 16.572 36.185 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 23.716 17.236 35.753 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 22.377 17.034 36.430 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 38.011 78.225 16.452 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 37.310 78.728 16.866 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 38.660 78.881 16.199 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 31.553 12.837 33.753 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 30.957 13.316 34.329 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 31.569 11.949 34.109 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 35.394 38.696 -2.371 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 35.838 39.459 -2.001 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 35.713 38.646 -3.272 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 41.464 64.753 37.106 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 42.008 65.502 36.863 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 42.064 64.156 37.554 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 26.638 48.508 -0.685 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 26.299 48.984 0.073 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 26.720 49.172 -1.369 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 52.724 7.765 -10.748 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 53.071 7.951 -11.621 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 53.318 7.106 -10.389 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 74.881 80.459 3.648 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 75.229 80.327 2.766 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 75.317 81.252 3.962 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 27.869 7.919 8.045 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 28.364 8.024 7.232 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 27.712 6.977 8.111 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 38.356 48.332 61.859 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 37.640 48.214 61.234 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 38.308 47.562 62.426 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 81.903 88.584 -19.369 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 81.539 89.054 -20.119 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 81.144 88.371 -18.827 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 21.216 92.828 -16.732 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 21.360 92.494 -17.618 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 21.149 92.044 -16.188 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 89.500 89.078 51.990 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 89.867 89.059 52.874 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 88.805 89.735 52.032 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 60.849 7.478 57.828 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 61.384 6.686 57.785 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 60.006 7.180 58.170 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 34.614 91.491 17.912 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 35.425 91.289 18.379 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 34.776 92.344 17.508 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 88.861 84.287 -8.123 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 88.754 83.408 -8.487 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 89.803 84.452 -8.170 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 32.022 75.204 67.019 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 32.434 74.874 66.220 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 31.811 74.418 67.522 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 40.582 30.340 65.057 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 40.307 30.299 65.973 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 41.253 29.662 64.977 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 61.775 2.162 48.708 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 62.532 2.460 49.212 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 61.313 1.566 49.298 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 71.806 84.031 -9.192 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 72.045 84.706 -9.827 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 72.630 83.806 -8.759 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 42.152 56.772 5.790 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 42.961 56.284 5.946 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 42.224 57.542 6.353 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 24.099 90.443 26.931 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 23.717 90.036 26.154 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 24.093 91.381 26.739 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 78.748 43.445 52.282 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 79.703 43.414 52.230 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 78.452 42.765 51.676 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 43.212 88.323 43.276 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 42.405 87.809 43.283 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 43.096 88.962 43.980 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 65.833 27.925 53.654 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 65.607 28.144 54.559 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 65.057 27.478 53.315 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 75.748 39.152 -0.500 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 75.558 38.246 -0.742 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 75.631 39.648 -1.310 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 27.492 82.310 22.851 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 27.673 82.050 23.755 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 26.708 82.856 22.912 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 46.878 59.248 56.572 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 46.880 59.968 55.942 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 46.000 59.266 56.954 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 60.087 89.121 54.235 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 60.729 88.411 54.211 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 60.022 89.416 53.326 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 61.246 41.787 -12.038 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 60.324 41.765 -12.293 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 61.341 41.064 -11.419 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 78.940 28.741 54.284 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 78.724 29.452 54.887 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 79.552 29.132 53.661 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 56.676 1.304 -19.574 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 55.843 0.942 -19.876 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 56.473 1.700 -18.726 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 37.163 30.133 15.570 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 36.374 30.189 15.031 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 37.405 31.044 15.735 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 84.814 60.070 39.848 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 84.002 59.609 39.634 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 84.908 59.964 40.795 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 27.860 75.206 18.700 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 28.613 74.615 18.748 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 27.849 75.507 17.792 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 90.742 45.557 46.625 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 89.834 45.282 46.747 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 91.195 44.766 46.332 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 29.252 27.767 -13.363 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 28.562 27.169 -13.648 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 29.623 28.111 -14.175 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 21.154 83.369 31.745 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 21.162 84.057 32.411 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 20.252 83.353 31.427 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 74.502 90.663 -9.869 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 73.708 90.131 -9.920 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 74.279 91.370 -9.262 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 59.156 43.960 4.530 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 59.048 43.102 4.941 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 58.272 44.328 4.508 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 54.626 68.816 7.348 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 54.188 68.071 7.758 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 54.976 69.322 8.082 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 22.447 48.727 -11.895 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 23.401 48.660 -11.931 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 22.139 47.826 -11.988 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 55.086 28.363 -15.399 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 54.222 28.446 -14.996 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 55.027 28.881 -16.202 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 28.023 38.976 52.916 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 28.531 39.731 53.211 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 28.051 38.365 53.652 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 41.372 16.790 5.160 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 41.620 17.615 4.742 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 40.559 16.992 5.624 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 20.590 55.152 60.952 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 20.935 54.314 61.259 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 21.220 55.801 61.264 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 84.551 41.632 25.035 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 84.026 40.877 24.769 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 83.910 42.271 25.349 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 55.145 1.070 20.658 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 55.953 1.565 20.521 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 54.913 1.237 21.571 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 84.450 58.896 51.243 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 85.087 59.224 50.609 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 84.941 58.270 51.775 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 43.606 42.781 33.197 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 42.709 42.866 32.873 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 43.891 41.920 32.892 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 79.172 18.624 -12.986 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 79.294 18.253 -12.112 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 78.488 18.085 -13.382 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 31.642 39.723 -18.584 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 32.541 39.846 -18.279 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 31.161 40.467 -18.222 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 20.500 76.303 14.917 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 20.741 75.438 14.585 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 19.776 76.582 14.356 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 46.755 17.350 -1.448 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 47.131 16.471 -1.406 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 46.815 17.679 -0.550 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 28.869 54.181 17.943 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 28.988 55.093 18.206 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 29.706 53.933 17.550 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 40.190 82.902 -17.789 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 40.077 83.361 -16.957 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 39.299 82.704 -18.078 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 52.894 95.887 38.115 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 52.093 95.468 37.801 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 53.557 95.198 38.074 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 79.850 32.505 58.670 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 79.311 32.789 57.932 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 79.881 31.551 58.592 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 81.318 32.024 42.254 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 80.758 31.624 41.589 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 82.151 32.175 41.806 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 46.952 65.233 6.162 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 47.018 64.915 7.062 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 47.813 65.608 5.976 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 28.240 2.421 41.937 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 28.402 3.283 42.319 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 27.380 2.167 42.273 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 33.428 11.907 22.961 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 33.864 12.264 22.187 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 34.060 11.290 23.330 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 38.692 19.787 9.271 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 39.251 19.078 9.590 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 37.867 19.674 9.742 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 65.489 27.908 7.031 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 65.536 27.057 7.468 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 64.645 27.899 6.580 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 72.126 48.390 -11.422 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 71.972 47.618 -10.878 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 72.027 49.129 -10.822 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 38.111 23.152 -2.432 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 38.883 22.835 -1.963 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 37.509 23.433 -1.742 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 65.240 72.754 57.518 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 65.124 73.704 57.535 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 64.753 72.467 56.745 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 23.613 45.265 4.404 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 23.278 46.041 3.956 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 23.939 45.594 5.242 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 55.875 68.171 25.265 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 56.087 67.427 24.701 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 54.970 68.014 25.538 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 51.302 25.456 -4.580 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 50.401 25.640 -4.315 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 51.746 25.213 -3.768 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 73.077 23.798 41.315 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 73.794 24.285 40.909 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 73.267 22.882 41.116 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 42.520 53.346 -15.904 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 41.958 53.848 -16.495 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 42.167 52.457 -15.937 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 35.034 31.375 22.732 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 35.652 30.750 22.352 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 35.499 32.211 22.715 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 28.284 37.858 49.252 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 28.830 38.569 49.589 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 28.724 37.059 49.542 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 33.306 44.736 66.775 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 33.296 45.692 66.835 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 34.063 44.470 67.297 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 43.463 31.595 -3.636 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 43.851 31.054 -4.324 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 43.991 31.412 -2.859 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 74.719 72.382 -7.946 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 75.636 72.107 -7.927 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 74.293 71.844 -7.279 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 38.904 15.305 -7.288 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 37.984 15.349 -7.547 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 38.881 15.123 -6.349 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 56.444 43.256 62.082 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 57.192 42.770 62.429 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 55.759 43.146 62.741 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 48.182 60.611 -6.251 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 49.120 60.423 -6.204 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 47.805 60.135 -5.511 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 67.863 43.633 64.378 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 67.502 42.813 64.713 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 68.141 44.110 65.160 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 40.568 20.786 56.499 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 40.689 20.642 55.561 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 41.350 20.409 56.902 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 45.657 7.883 -10.484 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 46.472 7.644 -10.042 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 45.002 7.288 -10.120 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 48.786 48.222 43.238 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 49.733 48.240 43.373 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 48.559 49.124 43.011 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 61.595 56.572 56.948 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 62.227 56.991 56.363 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 61.596 55.652 56.683 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 67.003 35.232 2.283 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 67.699 35.339 2.931 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 66.193 35.328 2.783 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 38.505 20.249 42.296 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 39.315 20.488 41.846 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 37.818 20.710 41.814 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 36.701 64.014 -1.443 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 35.967 63.518 -1.806 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 36.969 64.599 -2.151 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 80.835 76.820 54.937 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 79.968 76.541 55.231 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 81.133 77.429 55.613 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 35.443 27.959 51.919 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 35.105 27.551 51.122 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 35.523 27.237 52.542 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 27.061 42.424 -17.763 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 26.966 42.211 -16.835 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 26.634 41.700 -18.221 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 23.241 21.164 -10.475 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 23.155 21.691 -9.681 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 22.356 21.127 -10.837 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 35.457 34.187 23.826 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 35.352 34.976 24.357 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 36.404 34.083 23.736 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 83.704 5.920 45.341 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 83.759 5.406 46.147 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 84.468 5.649 44.831 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 37.434 95.585 38.801 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 37.124 95.263 37.955 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 37.219 96.518 38.797 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 69.981 15.414 2.547 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 69.112 15.503 2.941 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 70.402 14.717 3.052 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 26.155 23.333 15.895 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 26.199 24.283 16.005 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 25.328 23.182 15.437 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 62.063 3.845 63.565 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 62.880 3.354 63.485 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 61.504 3.496 62.871 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 29.245 40.986 32.415 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 30.189 40.909 32.558 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 29.138 40.896 31.468 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 63.803 2.611 -6.779 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 63.938 2.466 -5.843 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 62.882 2.395 -6.925 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 43.045 13.251 -5.428 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 42.292 12.668 -5.326 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 42.685 14.038 -5.839 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 32.094 91.917 62.026 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 32.557 92.664 61.648 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 31.671 91.494 61.279 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 53.571 31.177 49.371 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 53.193 30.435 48.899 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 54.495 30.949 49.477 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 90.118 27.499 40.465 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 90.373 26.662 40.853 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 89.682 27.260 39.647 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 29.872 71.945 66.479 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 28.921 72.031 66.408 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 30.080 72.292 67.347 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 33.982 49.383 57.814 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 34.465 50.063 58.284 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 33.260 49.850 57.393 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 73.564 46.190 6.231 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 72.699 46.300 6.626 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 74.160 46.107 6.975 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 23.226 46.819 33.181 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 22.787 46.959 32.342 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 24.120 47.130 33.039 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 63.390 80.446 -10.819 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 63.630 79.529 -10.953 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 63.829 80.692 -10.005 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 21.124 52.733 8.744 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 21.156 53.681 8.617 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 22.023 52.440 8.594 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 42.841 40.094 28.033 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 42.245 39.803 27.344 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 43.715 39.990 27.656 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 23.905 17.147 -7.810 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 24.264 17.991 -8.086 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 24.187 16.533 -8.487 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 27.328 12.347 34.943 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 26.608 12.872 34.593 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 28.068 12.952 34.986 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 56.563 23.800 7.205 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 56.580 24.487 7.871 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 56.348 23.003 7.688 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 69.566 20.430 61.360 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 70.064 19.636 61.167 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 68.695 20.260 61.003 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 78.211 54.375 22.181 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 77.558 54.200 22.859 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 77.875 53.931 21.403 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 22.134 86.735 -8.707 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 22.177 86.915 -9.646 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 22.911 87.161 -8.345 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 69.676 10.931 -19.255 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 69.323 11.787 -19.497 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 69.390 10.800 -18.351 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 65.125 87.086 52.352 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 66.066 86.958 52.467 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 64.875 86.447 51.685 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 71.895 63.420 -9.866 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 71.185 63.767 -10.406 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 71.984 62.508 -10.144 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 68.498 37.188 23.561 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 68.493 37.428 22.634 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 67.996 36.375 23.601 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 65.998 51.446 33.324 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 65.128 51.545 33.710 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 65.936 51.887 32.477 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 35.900 80.345 2.010 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 36.114 79.490 2.382 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 35.522 80.146 1.153 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 45.556 52.135 37.637 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 46.298 52.019 38.230 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 45.154 51.268 37.583 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 59.174 31.189 32.700 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 58.731 30.451 32.280 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 59.585 31.663 31.978 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 57.711 78.624 20.070 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 58.195 77.863 19.752 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 56.812 78.476 19.777 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 53.159 76.047 64.805 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 53.445 76.212 65.704 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 52.445 76.669 64.663 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 57.594 85.960 -15.812 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 57.317 85.168 -15.351 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 58.009 86.497 -15.137 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 25.186 14.979 63.191 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 25.057 15.926 63.137 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 25.452 14.722 62.308 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 65.995 36.713 -17.850 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 65.304 36.744 -17.188 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 65.682 36.077 -18.493 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 57.147 57.157 62.173 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 57.100 57.453 61.264 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 57.871 57.657 62.551 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 64.132 63.608 51.104 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 64.230 62.951 50.415 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 63.889 63.106 51.882 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 73.880 25.089 45.782 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 73.719 25.792 46.411 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 73.338 24.363 46.089 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 71.058 69.224 -17.819 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 70.949 68.990 -16.897 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 70.752 68.455 -18.300 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 35.825 -0.102 -8.443 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 35.325 0.455 -9.039 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 36.702 0.282 -8.434 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 24.163 60.891 58.546 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 24.150 60.016 58.159 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 24.830 60.841 59.230 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 63.704 18.621 10.812 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 63.097 18.030 10.365 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 64.387 18.046 11.156 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 81.735 31.681 31.674 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 80.972 31.823 32.235 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 81.654 32.342 30.987 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 32.494 29.935 46.619 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 32.560 30.240 47.524 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 32.861 30.649 46.098 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 78.620 86.327 41.025 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 77.682 86.135 40.999 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 78.837 86.331 41.958 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 74.962 93.674 61.701 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 74.879 94.239 60.933 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 74.482 94.134 62.390 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 52.538 94.839 -16.511 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 53.484 94.881 -16.372 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 52.343 93.903 -16.558 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 60.177 62.736 64.657 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 59.633 61.996 64.388 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 60.574 63.050 63.845 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 42.471 33.377 39.651 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 42.832 34.251 39.801 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 42.389 33.313 38.699 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 30.980 94.106 19.466 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 30.872 95.041 19.643 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 30.866 93.686 20.319 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 68.448 13.287 64.265 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 69.164 13.483 63.660 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 68.485 12.338 64.380 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 48.830 11.386 -7.229 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 49.711 11.729 -7.084 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 48.806 10.568 -6.732 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 46.156 50.186 31.527 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 46.134 49.737 30.682 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 45.314 49.976 31.932 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 82.278 37.746 -4.854 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 81.861 38.147 -4.092 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 82.873 37.092 -4.487 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 64.709 70.001 61.027 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 65.400 70.634 61.222 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 65.174 69.179 60.873 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 48.351 50.970 63.236 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 47.455 50.773 62.965 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 48.265 51.724 63.820 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 29.226 70.054 42.797 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 28.955 70.117 41.881 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 28.942 69.182 43.072 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 28.464 30.712 44.775 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 29.290 30.287 44.542 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 28.724 31.552 45.152 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 39.484 37.263 -0.752 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 39.735 37.557 -1.627 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 40.123 37.672 -0.169 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 32.850 74.074 -3.867 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 32.462 73.939 -4.731 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 32.481 73.376 -3.326 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 38.280 22.450 40.290 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 39.132 22.052 40.469 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 38.449 23.069 39.580 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 67.233 45.650 46.821 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 68.093 45.303 46.584 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 66.838 45.902 45.986 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 27.981 92.427 36.127 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 28.289 92.331 37.028 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 27.315 91.747 36.027 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 24.705 75.514 43.325 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 23.967 75.500 43.933 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 25.474 75.631 43.883 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 87.959 45.266 46.602 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 87.379 45.192 47.360 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 87.739 44.511 46.056 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 85.819 90.744 41.639 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 85.445 89.882 41.455 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 86.057 90.708 42.566 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 77.761 44.820 54.380 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 78.402 44.305 53.890 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 77.695 45.644 53.898 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 64.299 38.627 51.741 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 64.219 39.022 52.609 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 64.468 37.701 51.913 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 87.945 33.050 11.200 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 88.277 33.235 12.079 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 87.359 32.302 11.317 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 23.524 78.115 51.743 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 23.805 78.900 52.214 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 22.910 78.438 51.084 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 56.010 61.125 -3.092 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 55.352 60.940 -2.422 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 56.497 61.874 -2.749 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 31.328 13.724 27.416 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 32.142 13.876 26.935 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 31.356 14.352 28.138 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 45.732 36.733 27.050 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 45.494 36.866 26.132 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 44.902 36.796 27.524 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 43.232 86.423 2.213 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 43.449 87.074 2.880 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 42.347 86.654 1.931 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 65.003 11.727 32.725 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 64.507 11.979 31.946 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 65.324 10.846 32.530 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 72.847 96.788 -13.555 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 72.318 96.583 -12.783 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 73.387 96.010 -13.689 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 88.439 36.293 37.652 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 87.853 36.910 38.091 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 89.058 36.025 38.332 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 38.050 49.300 -2.703 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 38.806 48.734 -2.858 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 37.327 48.863 -3.152 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 63.701 63.116 -12.741 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 64.200 62.999 -11.933 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 62.788 63.156 -12.455 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 29.096 42.616 38.415 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 28.829 41.765 38.066 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 30.051 42.567 38.462 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 22.534 86.841 34.690 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 22.362 87.669 35.138 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 22.686 86.213 35.397 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 66.474 41.007 24.776 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 66.748 41.851 24.417 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 65.686 40.781 24.282 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 24.690 15.616 -3.009 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 25.407 15.459 -2.394 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 24.654 16.569 -3.098 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 83.698 44.192 36.140 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 82.905 43.803 35.769 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 83.389 44.688 36.898 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 34.995 70.851 27.788 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 35.535 70.238 28.286 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 34.103 70.518 27.883 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 47.305 78.610 52.582 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 47.994 78.697 51.923 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 47.741 78.806 53.411 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 45.661 15.064 44.414 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 45.620 16.020 44.434 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 45.030 14.810 43.741 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 21.340 31.164 -15.178 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 21.465 30.789 -16.050 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 22.211 31.468 -14.921 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 57.225 37.565 -18.169 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 56.790 38.315 -18.576 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 56.672 37.346 -17.419 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 21.187 24.640 36.107 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 20.711 25.438 36.337 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 21.847 24.926 35.476 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 45.609 47.673 63.629 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 46.362 47.267 63.199 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 45.036 46.939 63.850 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 69.782 52.928 14.694 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 69.580 52.014 14.494 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 68.930 53.363 14.712 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 38.311 48.581 38.936 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 38.367 49.009 38.082 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 37.447 48.823 39.269 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 26.552 91.294 52.426 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 26.977 90.648 51.862 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 27.193 91.471 53.114 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 46.670 39.910 33.879 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 47.528 39.663 33.534 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 46.158 40.146 33.106 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 50.179 56.837 7.990 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 50.006 57.449 8.705 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 51.053 57.071 7.678 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 48.803 26.605 45.991 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 48.239 27.167 46.522 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 49.530 27.172 45.731 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 59.044 83.153 60.594 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 58.342 82.520 60.746 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 58.845 83.530 59.736 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 37.873 50.262 25.463 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 37.515 49.383 25.339 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 37.965 50.352 26.411 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 24.347 43.677 18.445 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 24.148 42.954 19.039 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 23.923 44.438 18.842 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 72.748 42.582 39.801 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 72.858 42.970 38.933 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 71.882 42.176 39.774 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 60.048 31.575 -9.193 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 59.346 32.093 -8.801 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 59.617 30.777 -9.498 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 75.152 36.925 -2.188 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 74.316 36.510 -1.973 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 75.032 37.261 -3.076 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 41.167 40.586 -14.535 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 41.690 41.374 -14.685 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 41.451 40.269 -13.678 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 57.199 93.132 11.172 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 57.547 93.621 10.426 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 56.526 93.703 11.541 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 80.235 79.681 49.520 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 80.285 80.489 49.010 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 79.449 79.783 50.056 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 64.803 40.491 41.589 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 64.184 40.655 40.877 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 64.911 39.540 41.598 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 67.036 48.270 62.022 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 66.530 49.080 62.090 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 67.920 48.558 61.797 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 55.858 6.730 49.297 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 55.417 7.257 49.963 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 56.653 7.222 49.089 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 79.471 45.499 5.180 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 78.567 45.813 5.224 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 79.873 45.811 5.991 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 65.263 10.263 -6.477 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 65.999 10.210 -5.867 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 64.845 11.100 -6.276 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 85.821 92.405 6.423 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 86.485 91.853 6.836 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 85.436 92.898 7.147 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 23.624 22.683 -1.090 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 24.344 23.150 -0.667 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 22.833 23.076 -0.721 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 56.637 63.592 20.500 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 56.524 63.823 19.578 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 55.824 63.145 20.737 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 54.338 8.470 -15.820 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 53.626 8.033 -16.287 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 55.015 8.601 -16.484 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 67.428 42.488 49.199 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 67.673 42.509 48.274 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 66.471 42.513 49.194 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 85.978 44.995 -16.062 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 85.170 44.772 -15.599 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 86.429 44.159 -16.176 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 23.393 92.621 -18.876 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 22.451 92.451 -18.855 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 23.663 92.368 -19.759 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 60.036 48.762 39.254 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 60.452 48.872 40.109 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 59.460 49.522 39.168 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 21.733 66.469 -6.707 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 22.473 66.936 -6.320 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 21.503 66.983 -7.481 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 72.734 52.451 -5.961 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 71.860 52.458 -5.570 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 72.829 51.569 -6.319 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 26.402 43.296 -11.766 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 25.485 43.391 -11.511 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 26.887 43.344 -10.941 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 68.827 55.798 12.566 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 67.925 55.644 12.284 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 68.900 55.334 13.400 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 38.538 56.825 63.491 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 38.155 57.700 63.444 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 37.817 56.262 63.773 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 40.591 51.906 31.939 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 40.092 52.721 31.977 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 41.198 52.029 31.209 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 25.991 58.203 0.273 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 26.321 58.121 -0.622 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 26.711 57.896 0.824 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 58.679 75.229 56.416 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 58.295 76.008 56.014 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 58.683 75.419 57.354 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 46.411 14.765 3.559 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 45.498 14.757 3.273 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 46.576 15.675 3.808 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 51.818 55.215 45.972 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 52.325 55.608 45.263 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 51.001 55.714 45.989 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 28.703 28.087 52.286 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 29.080 27.403 51.732 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 28.088 28.547 51.714 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 85.686 83.016 45.826 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 85.011 83.262 45.193 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 85.330 82.246 46.269 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 34.053 4.718 53.842 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 34.825 5.278 53.925 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 33.571 5.083 53.099 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 49.041 67.386 -13.527 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 49.157 66.804 -12.777 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 48.112 67.618 -13.510 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 21.318 83.177 58.227 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 21.994 83.273 58.897 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 21.668 82.522 57.624 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 62.737 26.735 45.120 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 62.250 26.398 44.367 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 62.123 26.671 45.851 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 47.597 47.235 45.541 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 47.881 47.563 44.688 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 48.004 47.827 46.173 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 52.287 65.783 48.549 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 53.096 66.286 48.455 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 52.295 65.175 47.810 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 41.984 69.801 -12.238 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 42.912 70.034 -12.269 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 41.943 69.060 -11.633 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 33.568 88.953 59.343 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 32.957 88.450 59.882 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 33.745 88.389 58.591 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 80.037 39.776 9.098 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 79.233 40.290 9.165 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 80.729 40.426 8.979 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 72.715 63.198 58.875 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 72.266 63.615 58.139 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 73.555 63.653 58.933 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 49.079 20.310 30.130 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 48.495 21.066 30.194 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 49.006 20.027 29.219 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 26.714 8.414 -4.167 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 26.097 9.104 -3.920 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 26.662 8.377 -5.122 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 25.264 89.361 14.546 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 25.363 88.946 13.689 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 24.505 88.927 14.936 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 40.986 20.467 53.610 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 40.146 20.198 53.239 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 41.635 20.176 52.970 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 74.743 55.073 49.352 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 74.435 54.201 49.601 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 74.724 55.069 48.395 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 90.523 10.172 35.248 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 89.654 10.482 35.502 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 90.845 10.836 34.637 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 34.951 32.208 34.440 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 35.369 32.402 33.601 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 34.888 31.253 34.462 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 50.515 4.160 57.262 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 50.133 5.020 57.086 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 49.833 3.688 57.741 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 53.956 94.264 32.339 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 54.753 93.734 32.352 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 53.273 93.662 32.040 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 24.133 82.370 -12.119 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 23.637 82.401 -11.301 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 24.943 81.914 -11.892 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 66.154 1.392 49.249 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 65.909 0.467 49.249 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 66.525 1.542 50.118 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 35.885 33.824 -8.090 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 36.824 33.669 -7.990 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 35.608 34.174 -7.243 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 82.799 3.056 63.422 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 83.445 2.855 64.100 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 82.935 3.984 63.230 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 33.422 20.647 -17.351 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 33.537 19.698 -17.401 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 32.480 20.769 -17.233 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 44.748 91.729 -12.920 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 44.532 91.870 -11.998 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 43.912 91.810 -13.377 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 79.442 95.010 -8.333 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 79.236 94.082 -8.445 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 78.757 95.339 -7.750 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 72.116 78.654 -13.252 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 72.056 77.711 -13.100 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 72.545 78.733 -14.104 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 87.959 38.936 49.938 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 87.034 39.168 50.028 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 88.267 38.826 50.837 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 84.311 46.507 58.739 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 85.165 46.665 58.336 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 84.515 46.238 59.635 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 41.798 85.123 -0.704 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 42.131 85.611 -1.457 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 42.452 85.263 -0.019 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 75.080 32.356 13.070 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 75.558 32.175 13.880 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 74.202 32.008 13.227 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 68.904 44.919 39.606 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 68.113 44.534 39.985 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 69.188 45.567 40.250 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 41.274 79.584 43.217 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 41.716 80.178 42.610 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 41.728 78.748 43.107 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 36.815 21.934 -9.455 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 36.802 20.979 -9.395 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 35.956 22.164 -9.810 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 23.089 79.363 17.333 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 22.272 79.533 17.803 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 23.390 78.521 17.674 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 22.876 11.243 -18.367 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 23.606 11.543 -18.908 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 22.683 11.983 -17.792 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 59.777 47.336 45.030 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 59.093 47.665 44.447 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 59.740 46.385 44.932 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 72.307 54.084 37.113 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 71.693 54.666 36.665 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 71.754 53.529 37.662 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 42.537 24.932 50.976 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 42.771 24.280 50.315 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 43.367 25.161 51.392 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 26.235 80.596 8.794 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 26.871 79.916 9.013 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 25.920 80.912 9.640 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 75.501 57.009 -11.880 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 74.771 56.397 -11.788 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 75.245 57.769 -11.358 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 47.779 3.484 -1.163 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 46.964 3.319 -1.637 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 48.000 2.641 -0.765 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 86.898 38.944 61.918 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 86.868 39.653 62.560 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 87.073 39.381 61.085 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 28.106 46.940 -2.323 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 27.376 47.352 -1.861 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 28.131 47.380 -3.173 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 39.142 93.984 -11.104 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 38.848 94.455 -11.884 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 40.097 94.033 -11.140 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 57.850 28.371 -15.668 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 56.957 28.397 -15.324 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 58.128 29.286 -15.685 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 56.169 12.828 30.916 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 55.471 12.185 31.047 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 55.784 13.485 30.337 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 37.768 80.663 52.862 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 38.692 80.859 52.708 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 37.324 80.957 52.066 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 52.502 90.352 57.290 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 52.141 90.247 56.409 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 53.176 91.026 57.193 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 37.282 51.564 61.047 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 37.169 52.173 60.317 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 37.350 50.704 60.633 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 87.354 46.640 42.464 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 86.960 47.277 43.061 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 86.774 46.635 41.702 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 58.319 53.334 51.074 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 58.266 52.585 50.479 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 58.078 54.087 50.534 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 38.832 19.683 38.649 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 39.299 20.485 38.884 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 39.516 19.084 38.352 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 51.041 31.106 66.989 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 50.423 30.859 67.677 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 50.489 31.349 66.246 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 81.634 27.007 -13.467 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 82.310 26.360 -13.267 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 82.105 27.838 -13.519 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 48.865 88.118 -13.319 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 47.972 87.777 -13.283 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 49.195 88.022 -12.426 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 46.528 64.114 8.759 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 45.895 64.502 9.362 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 47.265 63.860 9.315 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 74.370 28.847 48.812 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 75.107 29.446 48.692 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 73.605 29.419 48.879 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 51.037 20.318 34.347 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 51.172 19.374 34.274 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 51.469 20.683 33.575 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 44.163 86.465 -4.666 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 43.689 86.571 -3.842 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 45.077 86.358 -4.406 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 61.291 9.473 59.402 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 62.077 9.328 59.927 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 61.356 8.836 58.690 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 42.677 56.643 -18.899 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 42.399 56.427 -18.008 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 43.061 57.516 -18.825 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 48.049 41.551 -16.622 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 48.162 42.046 -17.433 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 47.137 41.260 -16.644 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 34.583 67.419 19.656 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 35.319 67.948 19.964 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 34.517 66.706 20.292 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 68.508 21.805 -10.692 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 69.108 21.516 -10.004 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 69.054 22.320 -11.286 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 73.766 39.232 31.726 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 73.719 38.311 31.982 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 74.314 39.640 32.396 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 21.452 28.120 11.684 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 22.146 28.698 11.366 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 21.916 27.411 12.129 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 67.104 14.729 36.435 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 66.282 15.158 36.671 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 66.840 13.988 35.889 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 53.550 17.453 46.218 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 53.512 16.499 46.150 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 53.973 17.735 45.407 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 27.461 42.558 47.534 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 27.320 42.790 48.452 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 28.274 43.005 47.297 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 65.096 8.863 -8.843 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 64.266 8.472 -8.571 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 65.287 9.516 -8.169 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 81.102 10.982 54.015 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 80.181 11.107 53.787 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 81.474 11.864 54.006 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 69.962 35.439 61.609 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 69.207 35.963 61.341 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 70.039 35.593 62.551 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 29.331 8.802 41.947 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 29.770 7.987 41.701 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 28.769 8.559 42.682 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 85.404 33.972 36.030 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 86.225 34.449 35.910 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 85.598 33.083 35.734 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 31.195 26.358 -7.732 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 31.363 27.286 -7.895 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 31.672 26.166 -6.924 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 72.222 40.908 27.625 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 72.146 40.155 27.039 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 71.361 41.325 27.594 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 44.362 26.111 32.853 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 44.686 25.911 31.974 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 43.753 25.399 33.052 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 28.553 56.894 64.495 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 29.246 57.520 64.286 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 28.032 56.836 63.695 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 86.034 43.212 -2.437 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 85.288 43.087 -1.850 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 86.786 43.302 -1.852 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 45.618 73.788 60.543 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 46.208 73.271 59.994 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 44.893 74.021 59.963 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 34.179 10.448 39.476 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 33.347 9.980 39.540 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 33.991 11.322 39.817 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 86.292 26.645 30.519 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 85.878 27.325 29.987 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 87.222 26.871 30.516 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 88.770 28.108 16.153 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 88.225 28.515 15.480 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 89.582 27.880 15.699 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 50.968 41.220 54.797 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 51.202 40.755 53.993 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 51.425 40.745 55.490 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 23.784 64.373 37.133 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 24.689 64.267 36.839 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 23.578 65.290 36.949 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 21.121 82.702 12.293 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 20.266 82.585 11.880 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 20.937 83.203 13.088 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 59.959 48.846 66.440 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 60.887 49.003 66.611 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 59.631 49.682 66.110 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 42.972 70.108 56.278 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 43.533 70.725 55.807 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 43.169 69.257 55.885 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 29.125 13.058 43.532 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 28.532 13.486 44.149 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 29.849 12.743 44.074 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 33.885 39.710 60.916 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 33.709 38.776 60.807 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 34.812 39.754 61.149 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 90.063 11.773 -18.059 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 90.703 11.090 -18.259 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 89.215 11.372 -18.254 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 57.688 15.014 29.274 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 57.435 14.369 28.613 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 57.089 15.747 29.134 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 43.899 14.850 32.875 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 44.629 14.455 32.399 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 44.121 14.730 33.798 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 40.820 48.811 58.953 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 40.195 49.249 58.375 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 41.162 49.511 59.510 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 51.188 1.942 26.226 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 50.837 2.731 25.813 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 51.159 1.277 25.538 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 40.558 41.230 6.823 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 40.865 41.800 7.529 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 39.670 41.534 6.638 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 81.174 15.411 58.340 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 81.029 15.418 57.393 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 81.510 16.286 58.537 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 90.014 36.114 14.329 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 89.957 36.937 13.844 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 89.496 35.496 13.813 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 25.021 29.532 59.418 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 24.195 29.995 59.279 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 24.811 28.857 60.063 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 39.297 46.900 -2.795 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 38.883 46.761 -1.944 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 40.236 46.848 -2.617 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 23.353 54.835 24.028 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 23.709 54.974 23.151 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 22.488 55.245 24.004 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 51.007 68.470 -15.197 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 50.154 68.083 -15.001 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 51.636 67.905 -14.748 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 24.208 20.441 5.002 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 24.548 21.331 4.908 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 24.960 19.928 5.300 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 52.852 45.787 40.810 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 52.005 45.346 40.874 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 53.417 45.157 40.362 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 62.684 58.030 65.604 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 63.412 58.610 65.380 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 62.116 58.563 66.160 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 73.405 26.227 67.134 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 72.742 25.684 66.708 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 73.737 25.684 67.849 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 34.538 6.199 48.048 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 35.274 6.610 47.596 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 34.415 5.364 47.597 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 72.604 55.188 6.868 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 71.676 55.385 6.993 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 73.060 55.821 7.423 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 46.846 95.371 47.458 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 46.989 96.171 46.952 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 47.716 94.982 47.543 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 56.870 92.650 0.263 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 57.713 92.410 -0.121 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 56.349 91.849 0.218 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 39.621 20.689 -14.401 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 39.085 20.383 -13.669 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 39.076 21.340 -14.842 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 78.276 28.969 33.609 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 78.629 29.521 34.307 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 77.380 28.779 33.884 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 30.157 12.483 -0.385 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 30.449 11.743 -0.918 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 29.203 12.404 -0.368 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 51.315 35.359 52.332 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 50.481 35.786 52.137 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 51.689 35.159 51.474 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 72.708 35.747 -1.683 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 72.009 35.269 -2.128 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 72.772 35.332 -0.822 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 57.098 71.105 54.918 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 57.112 70.478 54.195 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 56.168 71.247 55.095 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 62.501 46.937 1.461 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 62.165 47.833 1.445 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 61.908 46.468 2.048 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 22.666 28.857 -14.190 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 21.851 29.316 -13.987 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 22.725 28.885 -15.145 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 51.712 10.520 48.744 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 51.530 9.849 49.402 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 50.847 10.813 48.455 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 28.692 54.358 -10.183 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 29.366 54.050 -9.577 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 28.868 53.887 -10.997 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 20.741 39.815 -4.700 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 21.200 39.961 -3.872 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 20.080 40.506 -4.733 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 45.090 43.796 53.363 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 45.282 44.564 52.825 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 44.555 44.133 54.082 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 86.253 62.728 -4.053 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 87.170 62.919 -4.251 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 86.051 61.952 -4.576 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 43.252 51.698 49.556 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 43.281 52.151 48.713 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 44.141 51.362 49.678 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 87.091 46.595 49.593 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 86.813 45.726 49.304 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 86.970 46.582 50.543 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 48.015 57.130 49.245 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 47.766 57.466 48.384 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 48.135 57.913 49.783 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 72.990 24.873 -5.416 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 73.350 25.756 -5.493 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 72.986 24.535 -6.311 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 75.722 54.766 -3.158 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 74.912 54.550 -2.696 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 76.086 55.506 -2.672 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 49.638 15.312 -8.321 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 48.998 14.633 -8.106 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 49.264 16.116 -7.961 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 79.434 71.669 36.024 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 80.094 70.975 36.027 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 79.008 71.591 35.171 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 69.574 16.792 54.211 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 68.739 17.142 53.899 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 69.349 15.947 54.599 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 60.939 57.529 63.562 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 61.102 58.264 64.153 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 60.968 56.757 64.126 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 44.844 5.673 20.386 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 44.849 5.649 21.343 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 44.280 4.943 20.130 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 87.998 87.570 18.239 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 87.893 88.491 18.477 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 88.874 87.341 18.547 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 80.132 64.816 -13.218 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 79.783 64.726 -12.332 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 81.082 64.831 -13.102 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 52.764 71.668 65.379 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 52.669 71.673 66.331 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 53.204 70.841 65.185 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 48.284 93.348 -2.557 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 48.519 92.630 -1.970 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 48.656 94.127 -2.143 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 61.548 4.313 6.186 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 62.186 4.976 5.926 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 61.220 4.615 7.033 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 26.736 82.808 53.828 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 26.572 83.276 54.646 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 27.554 83.181 53.498 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 44.679 17.432 26.735 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 45.337 17.094 26.127 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 43.928 17.644 26.182 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 41.248 40.469 25.634 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 41.400 41.380 25.885 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 41.633 40.394 24.760 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 90.364 21.487 45.067 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 89.631 20.932 44.804 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 90.666 21.110 45.894 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 82.069 84.403 52.795 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 81.942 84.773 51.921 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 81.722 83.513 52.732 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 69.280 32.819 19.087 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 68.337 32.928 18.961 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 69.435 31.886 18.942 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 66.304 4.673 44.829 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 65.838 4.617 43.995 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 65.663 4.391 45.481 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 46.719 73.916 0.198 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 47.062 74.802 0.318 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 47.313 73.359 0.700 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 87.513 22.418 -10.444 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 88.149 22.471 -9.730 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 86.667 22.571 -10.023 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 67.677 86.074 52.606 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 68.148 86.060 51.773 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 67.670 85.161 52.893 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 87.435 76.954 -8.424 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 86.972 77.629 -8.921 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 87.786 76.363 -9.091 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 47.711 3.574 22.427 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 47.207 3.811 21.648 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 48.514 3.182 22.083 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 26.449 66.129 -6.144 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 27.346 66.242 -6.457 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 26.344 65.181 -6.054 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 40.084 10.030 5.428 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 40.902 10.151 4.945 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 39.625 10.865 5.336 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 86.781 49.810 45.397 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 86.221 49.135 45.780 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 87.667 49.569 45.669 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 53.260 9.466 12.766 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 53.658 9.633 11.911 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 53.545 10.200 13.310 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 33.697 93.701 -14.967 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 34.384 94.080 -15.515 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 34.045 92.850 -14.701 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 29.867 8.629 65.196 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 29.442 7.772 65.221 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 29.749 8.930 64.295 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 30.621 58.905 64.627 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 31.018 58.767 65.487 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 31.359 58.900 64.018 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 23.583 37.375 56.950 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 24.463 37.352 56.574 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 23.222 36.507 56.767 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 55.714 64.314 -19.442 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 56.625 64.507 -19.661 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 55.302 64.114 -20.282 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 45.130 78.532 32.221 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 45.855 78.036 32.599 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 44.897 78.050 31.428 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 84.111 94.232 -18.913 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 84.899 94.763 -19.025 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 84.082 93.678 -19.693 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 47.332 15.332 52.251 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 47.357 14.947 53.127 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 47.095 14.606 51.675 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 45.212 70.449 33.701 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 45.659 70.023 34.432 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 45.562 71.339 33.691 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 65.598 24.761 28.978 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 66.101 25.512 29.293 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 64.720 24.893 29.338 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 62.762 53.494 57.976 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 62.719 53.361 57.029 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 62.809 54.444 58.082 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 67.611 48.095 26.455 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 66.790 48.442 26.104 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 67.369 47.256 26.846 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 69.014 91.338 5.999 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 69.267 91.330 6.922 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 68.836 90.421 5.791 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 32.066 16.298 67.143 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 31.111 16.348 67.119 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 32.295 15.730 66.407 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 32.769 28.198 42.483 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 33.358 27.660 41.954 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 33.051 29.098 42.315 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 74.940 26.778 50.766 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 74.882 27.512 50.155 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 75.821 26.425 50.634 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 62.062 83.696 1.765 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 61.330 83.642 2.380 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 62.406 82.804 1.721 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 31.748 2.410 38.660 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 30.994 1.998 38.237 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 32.407 1.717 38.703 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 39.312 30.364 43.003 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 38.502 30.872 43.037 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 40.008 31.021 43.001 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 45.375 43.450 64.279 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 45.225 42.710 64.867 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 45.660 43.050 63.458 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 45.327 93.796 63.918 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 45.747 93.002 64.247 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 44.500 93.846 64.397 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 87.339 70.129 54.913 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 87.787 69.502 54.345 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 88.045 70.580 55.375 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 25.300 16.428 49.485 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 24.524 16.583 48.947 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 25.993 16.229 48.854 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 61.452 37.494 48.636 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 61.137 36.606 48.802 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 61.554 37.538 47.685 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 85.906 30.917 30.014 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 85.574 31.635 30.553 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 86.697 31.269 29.606 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 41.084 12.041 35.618 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 41.922 12.002 35.159 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 40.449 12.271 34.940 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 73.691 80.949 47.989 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 74.420 81.298 47.476 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 74.054 80.181 48.431 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 32.992 85.132 64.703 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 33.422 84.281 64.779 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 32.443 85.056 63.922 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 46.820 9.161 8.855 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 45.952 9.051 9.244 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 46.650 9.292 7.922 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 85.024 11.615 66.496 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 84.549 11.333 65.714 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 85.778 12.097 66.158 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 32.886 73.599 64.878 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 33.103 72.937 65.535 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 32.489 73.105 64.161 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 38.111 11.201 8.071 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 37.280 11.674 8.128 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 37.865 10.277 8.111 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 41.675 21.398 11.732 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 41.298 21.166 12.580 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 42.279 20.681 11.534 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 86.348 89.214 -9.668 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 85.804 89.115 -8.887 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 86.541 90.151 -9.708 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 23.652 22.947 67.360 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 23.521 23.480 66.576 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 24.598 22.804 67.397 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 78.879 38.062 23.521 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 78.657 38.559 22.734 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 78.173 38.259 24.137 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 62.125 37.380 4.664 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 62.279 37.549 5.594 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 61.195 37.159 4.612 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 61.313 21.782 50.006 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 62.245 21.820 49.792 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 60.869 21.841 49.160 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 32.507 59.436 5.445 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 32.639 59.159 6.352 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 32.046 58.703 5.036 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 56.868 75.929 46.322 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 56.906 75.160 45.753 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 56.031 76.343 46.111 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 59.440 11.008 -13.174 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 60.080 10.365 -13.480 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 59.969 11.725 -12.825 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 76.127 77.578 -9.254 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 76.095 76.716 -8.839 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 75.350 78.031 -8.926 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 32.853 53.760 22.081 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 33.500 53.920 21.394 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 32.271 53.095 21.714 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 50.568 94.338 -12.059 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 49.788 94.753 -11.692 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 50.970 95.017 -12.601 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 82.108 61.191 16.604 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 81.295 61.168 17.108 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 82.795 61.022 17.248 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 69.627 38.601 40.304 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 70.564 38.664 40.118 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 69.218 39.205 39.684 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 57.950 6.595 52.102 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 57.906 6.517 51.149 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 58.816 6.257 52.331 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 66.318 12.834 46.976 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 66.047 13.722 47.208 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 65.498 12.363 46.829 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 84.450 59.516 42.427 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 83.851 59.712 43.148 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 85.296 59.371 42.851 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 68.755 40.521 38.737 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 67.906 40.198 38.434 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 69.006 41.180 38.090 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 21.921 75.228 2.309 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 22.465 75.553 1.591 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 21.651 74.354 2.027 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 25.281 91.411 61.605 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 25.130 92.208 62.114 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 25.056 91.653 60.707 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 79.899 41.950 14.394 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 80.242 41.998 13.502 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 79.206 42.609 14.420 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 79.694 38.888 37.987 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 80.214 38.156 37.658 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 79.139 39.140 37.249 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 82.404 29.352 -10.014 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 83.206 28.832 -9.968 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 81.707 28.739 -9.777 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 60.636 34.610 43.729 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 59.771 34.555 43.321 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 61.184 35.038 43.071 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 70.453 16.892 -4.832 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 69.802 17.015 -4.142 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 70.716 17.780 -5.075 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 74.581 24.461 3.222 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 74.925 24.467 4.115 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 75.358 24.411 2.665 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 48.206 3.309 52.490 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 47.816 3.041 51.658 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 48.860 2.635 52.677 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 82.368 73.474 -19.369 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 83.129 73.607 -19.934 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 81.617 73.533 -19.959 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 67.324 64.739 28.069 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 66.939 64.002 27.594 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 66.655 64.989 28.706 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 58.178 11.690 55.495 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 57.267 11.437 55.345 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 58.617 10.875 55.739 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 28.760 40.635 29.813 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 28.293 41.221 29.217 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 29.683 40.746 29.585 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 35.372 68.212 -3.047 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 34.993 68.926 -3.559 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 35.744 68.641 -2.276 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 69.951 21.250 -8.210 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 69.943 21.376 -7.262 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 69.772 20.317 -8.330 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 49.926 74.994 59.136 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 50.541 74.938 59.867 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 49.688 74.085 58.952 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 30.337 46.940 8.193 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 30.260 46.062 8.567 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 31.263 47.162 8.290 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 62.606 81.214 4.588 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 63.222 81.089 5.309 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 62.129 80.386 4.533 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 69.532 12.246 36.384 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 70.054 12.557 37.123 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 68.672 12.648 36.511 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 63.998 6.821 -0.473 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 64.737 7.057 -1.034 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 63.536 7.646 -0.324 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 59.651 2.385 58.117 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 60.071 2.136 58.940 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 58.898 2.912 58.382 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 25.123 84.586 7.064 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 26.009 84.226 7.027 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 24.718 84.148 7.813 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 87.070 36.221 62.186 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 87.317 37.145 62.170 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 87.042 35.964 61.264 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 79.861 34.630 60.691 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 79.155 35.173 60.341 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 79.780 33.800 60.220 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 40.240 10.337 46.019 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 40.100 10.414 46.962 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 39.853 11.132 45.653 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 30.606 23.082 30.846 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 30.580 24.033 30.951 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 29.687 22.817 30.825 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 27.709 20.902 64.551 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 28.437 21.097 63.961 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 27.160 20.290 64.060 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 65.742 69.822 32.029 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 65.267 69.982 31.213 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 65.377 69.001 32.362 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 55.019 53.080 -18.767 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 54.526 52.658 -18.063 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 55.651 52.418 -19.048 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 71.062 75.733 22.752 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 71.297 75.096 23.427 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 70.486 75.251 22.158 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 74.462 31.177 40.981 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 73.930 30.534 41.450 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 74.164 31.119 40.073 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 47.667 90.938 -9.967 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 48.436 91.004 -10.533 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 47.034 91.545 -10.349 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 81.104 89.986 58.222 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 80.998 90.499 57.420 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 80.665 89.156 58.036 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 83.420 22.548 56.240 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 82.510 22.298 56.081 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 83.428 23.500 56.145 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 86.189 38.941 30.792 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 86.032 38.363 30.046 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 85.596 39.680 30.653 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 57.518 1.727 48.633 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 56.681 1.497 49.037 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 57.393 2.622 48.316 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 31.743 58.801 31.496 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 32.518 58.249 31.396 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 32.044 59.681 31.270 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 78.170 79.448 2.459 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 78.616 79.040 3.200 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 77.946 80.326 2.768 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 88.946 63.442 -4.584 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 89.494 62.831 -4.092 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 89.042 63.168 -5.497 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 36.389 53.223 59.138 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 35.772 52.837 58.515 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 36.594 54.083 58.770 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 51.812 26.639 14.123 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 51.859 27.594 14.171 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 51.598 26.455 13.209 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 21.193 67.525 -2.861 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 20.709 67.797 -3.640 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 22.111 67.690 -3.078 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 59.031 58.594 57.067 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 58.386 57.931 56.817 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 59.576 58.704 56.288 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 30.514 29.733 -11.379 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 30.130 30.516 -11.773 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 30.308 29.029 -11.995 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 82.448 51.193 65.545 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 81.732 51.750 65.242 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 82.014 50.443 65.951 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 41.265 38.888 -12.366 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 40.467 38.718 -11.866 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 41.897 39.190 -11.714 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 46.468 11.994 66.937 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 46.696 12.175 67.849 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 47.293 11.725 66.533 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 25.822 43.486 44.029 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 26.416 44.150 43.680 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 25.665 43.756 44.934 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 75.922 17.916 66.584 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 76.732 18.156 67.033 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 76.112 18.052 65.656 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 87.000 70.842 36.645 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 87.720 70.232 36.484 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 86.251 70.455 36.191 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 59.813 53.340 -10.174 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 58.877 53.233 -10.339 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 59.912 53.177 -9.236 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 71.394 88.163 33.777 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 70.684 87.526 33.710 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 72.047 87.738 34.333 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 43.915 77.420 -13.641 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 43.300 76.815 -14.056 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 44.576 77.590 -14.312 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 66.123 7.529 -2.563 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 66.517 7.967 -1.808 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 66.484 7.988 -3.322 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 86.764 78.479 32.120 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 87.052 78.107 31.286 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 87.574 78.747 32.555 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 58.027 33.317 64.583 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 58.412 34.194 64.581 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 57.293 33.376 63.971 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 34.000 56.042 53.855 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 34.339 56.937 53.838 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 33.865 55.819 52.934 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 45.832 96.059 25.863 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 45.624 95.129 25.954 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 46.770 96.078 25.674 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 40.516 0.900 55.207 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 41.467 0.790 55.219 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 40.336 1.342 54.377 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 65.411 45.249 44.729 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 64.661 45.809 44.528 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 65.027 44.471 45.133 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 67.247 31.333 49.408 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 67.224 30.547 48.863 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 66.940 32.034 48.831 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 52.611 70.715 -3.375 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 53.387 70.689 -2.815 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 52.955 70.655 -4.266 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 89.034 1.694 31.398 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 89.069 1.370 30.498 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 89.582 2.479 31.392 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 21.638 34.200 -8.217 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 21.488 33.472 -7.613 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 21.077 34.903 -7.888 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 87.369 46.798 15.403 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 86.462 46.492 15.387 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 87.865 46.060 15.759 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 62.847 13.150 23.226 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 62.518 12.933 24.098 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 63.800 13.110 23.313 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 75.246 23.007 -16.142 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 75.920 22.379 -16.400 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 75.273 23.009 -15.185 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 62.164 28.534 -14.977 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 61.878 29.363 -15.361 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 63.087 28.672 -14.766 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 37.915 4.260 23.400 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 38.200 4.681 24.210 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 38.397 3.433 23.377 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 65.196 93.845 -1.227 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 65.873 94.420 -0.869 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 64.403 94.381 -1.231 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 52.282 16.080 -16.816 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 53.166 16.415 -16.968 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 51.986 15.786 -17.677 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 48.682 49.627 3.864 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 48.692 49.614 4.821 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 49.312 50.307 3.626 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 49.490 58.284 61.119 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 49.081 59.061 60.737 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 50.352 58.584 61.407 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 54.934 32.965 47.472 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 55.009 32.021 47.604 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 55.152 33.097 46.549 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 62.397 30.337 16.896 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 62.524 30.663 16.005 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 61.928 29.510 16.785 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 70.914 56.745 57.081 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 70.025 56.510 57.346 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 70.800 57.495 56.497 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 43.910 57.101 52.105 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 44.426 56.762 52.836 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 44.561 57.413 51.476 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 52.247 20.620 44.168 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 52.261 20.305 45.071 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 53.083 20.335 43.801 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 60.015 67.963 42.964 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 59.290 68.305 43.487 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 59.647 67.205 42.510 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 50.411 1.653 35.972 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 51.159 1.522 35.390 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 50.709 2.309 36.603 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 50.216 26.890 32.005 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 50.665 27.260 31.245 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 50.911 26.743 32.647 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 66.100 30.383 39.209 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 65.229 30.776 39.159 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 66.274 30.302 40.146 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 68.700 42.098 1.905 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 68.841 42.073 2.851 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 69.461 41.649 1.536 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 59.183 43.000 58.489 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 58.569 43.442 59.075 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 60.045 43.309 58.766 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 28.588 13.460 -15.123 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 27.942 13.303 -15.812 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 28.066 13.608 -14.334 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 41.381 68.744 -18.308 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 41.758 69.526 -18.712 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 41.476 68.062 -18.973 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 60.896 86.773 34.432 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 60.942 87.334 33.658 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 60.416 85.998 34.139 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 84.433 83.350 33.772 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 84.824 82.579 33.362 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 83.590 83.043 34.106 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 53.459 92.776 5.305 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 54.217 92.577 4.755 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 53.435 92.066 5.946 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 67.068 40.005 -18.341 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 66.118 39.898 -18.381 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 67.333 39.508 -17.567 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 85.762 94.560 43.217 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 85.143 95.246 42.970 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 86.613 94.887 42.924 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 80.269 16.654 -7.452 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 79.547 16.686 -6.825 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 80.719 15.832 -7.259 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 63.005 24.640 -7.694 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 63.424 24.449 -8.533 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 63.261 23.911 -7.128 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 79.456 86.448 -20.098 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 78.939 85.649 -19.992 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 79.765 86.653 -19.216 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 31.858 64.028 62.426 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 30.951 63.832 62.664 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 32.376 63.379 62.903 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 44.774 9.463 -19.287 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 44.903 8.861 -20.020 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 44.706 10.327 -19.694 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 86.744 85.384 -6.343 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 87.376 85.059 -6.984 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 86.556 84.629 -5.786 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 37.446 28.698 46.857 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 37.150 29.608 46.816 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 36.936 28.249 46.184 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 74.337 86.635 -19.615 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 73.791 86.631 -18.829 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 74.927 87.379 -19.493 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 66.125 48.007 45.871 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 65.745 47.484 45.166 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 67.052 48.080 45.644 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 72.215 90.244 1.425 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 71.568 89.788 1.963 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 72.359 91.076 1.875 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 76.851 2.729 54.167 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 76.862 3.003 53.250 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 77.693 2.294 54.299 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 72.089 32.396 50.975 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 72.802 32.077 51.529 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 71.335 32.451 51.562 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 80.704 78.850 63.651 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 80.004 78.198 63.629 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 80.343 79.606 63.188 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 34.516 87.145 57.561 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 34.883 87.542 56.771 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 34.245 86.269 57.285 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 57.529 2.253 -2.259 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 58.357 2.146 -1.791 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 56.872 2.336 -1.568 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 55.700 28.102 50.247 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 54.759 27.938 50.185 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 55.854 28.842 49.658 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 33.512 39.307 40.987 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 33.752 39.010 41.864 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 33.828 40.209 40.944 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 49.546 22.827 47.590 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 49.379 22.404 46.748 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 50.062 23.603 47.371 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 57.561 85.549 -5.934 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 58.093 85.614 -6.727 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 56.932 86.268 -6.007 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 70.228 8.275 -14.627 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 70.472 7.857 -15.453 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 70.445 7.627 -13.957 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 75.170 12.952 42.188 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 74.697 12.916 41.357 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 74.484 13.032 42.851 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 20.440 3.740 31.379 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 20.877 3.928 30.548 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 20.743 4.429 31.971 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 76.644 52.116 36.459 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 77.502 52.349 36.103 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 76.099 52.886 36.295 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 65.060 22.856 -1.356 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 64.655 23.541 -0.824 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 65.626 22.382 -0.747 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 23.090 52.045 24.880 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 23.295 52.946 24.630 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 23.838 51.534 24.572 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 23.435 26.111 54.783 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 24.082 25.708 54.204 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 23.925 26.328 55.576 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 69.317 82.384 3.156 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 69.130 81.469 3.369 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 68.604 82.645 2.573 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 42.024 61.670 60.774 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 41.081 61.606 60.619 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 42.376 62.035 59.962 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 67.248 78.460 48.846 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 66.421 78.204 48.438 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 67.856 77.757 48.619 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 80.344 53.291 51.004 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 80.940 52.934 50.345 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 79.516 53.411 50.540 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 43.564 24.456 28.813 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 43.183 23.614 28.563 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 43.260 25.066 28.141 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 56.607 49.212 41.238 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 56.840 49.810 40.528 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 56.290 48.425 40.794 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 74.938 2.207 -15.138 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 74.549 1.333 -15.112 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 75.465 2.212 -15.937 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 82.770 8.462 36.119 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 83.639 8.253 35.775 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 82.276 7.647 36.031 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 36.848 48.830 44.946 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 37.390 49.029 45.710 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 36.602 49.686 44.596 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 57.376 30.393 44.305 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 57.242 29.667 44.915 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 57.016 30.079 43.475 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 61.854 15.968 55.941 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 61.381 15.219 56.305 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 61.217 16.683 55.954 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 45.557 79.684 37.319 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 46.341 79.137 37.271 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 45.158 79.609 36.453 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 46.004 13.694 37.863 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 46.463 13.240 37.156 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 46.702 14.050 38.412 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 42.956 83.148 -14.878 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 43.059 82.232 -15.134 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 42.628 83.111 -13.980 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 56.843 41.399 60.146 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 56.922 41.908 60.953 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 56.349 41.964 59.553 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 51.901 14.880 -19.269 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 52.679 15.301 -19.636 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 51.642 14.236 -19.928 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 84.038 86.098 34.097 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 84.262 85.219 33.791 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 83.089 86.156 33.988 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 44.221 22.832 61.763 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 43.378 22.440 61.990 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 44.096 23.770 61.910 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 44.657 18.172 31.272 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 43.768 18.482 31.443 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 44.570 17.605 30.506 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 20.355 50.930 19.758 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 21.113 51.475 19.970 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 20.315 50.936 18.802 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 57.989 63.453 60.125 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 57.698 64.364 60.145 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 57.183 62.944 60.041 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 61.369 38.050 52.547 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 61.584 37.372 51.908 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 61.124 38.810 52.019 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 31.708 72.948 22.197 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 31.492 72.017 22.154 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 32.094 73.065 23.065 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 71.619 10.152 64.546 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 70.685 10.359 64.524 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 71.725 9.603 65.322 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 83.140 3.516 34.586 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 82.637 3.079 33.899 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 83.917 2.968 34.698 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 66.361 25.551 51.896 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 65.480 25.925 51.879 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 66.803 26.011 52.609 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 32.935 47.189 5.827 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 32.224 46.729 5.381 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 33.610 46.522 5.954 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 51.724 57.200 52.327 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 52.545 56.996 51.880 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 51.269 57.798 51.734 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 52.483 61.149 -14.561 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 52.130 60.835 -13.728 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 52.110 62.025 -14.664 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 55.786 8.792 38.776 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 56.329 9.569 38.915 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 56.300 8.244 38.183 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 54.617 31.108 60.596 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 54.771 30.780 59.710 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 54.626 32.061 60.504 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 38.118 34.733 32.149 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 38.365 35.040 31.277 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 38.904 34.302 32.484 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 22.215 89.346 66.909 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 22.226 88.794 66.127 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 22.582 88.793 67.599 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 87.182 72.652 4.628 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 86.948 71.738 4.789 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 87.818 72.614 3.913 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 70.287 18.532 -16.025 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 69.939 18.860 -16.854 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 70.858 17.805 -16.275 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 60.268 67.697 -1.514 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 59.759 68.003 -0.763 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 59.644 67.694 -2.241 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 52.793 5.413 53.272 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 53.414 5.423 52.543 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 53.189 5.982 53.932 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 54.434 40.017 -14.906 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 54.053 40.592 -14.242 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 55.184 40.506 -15.245 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 61.943 44.325 -14.994 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 62.465 44.879 -14.414 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 61.565 43.662 -14.416 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 69.085 39.640 -0.497 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 69.188 39.236 0.365 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 69.139 38.909 -1.113 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 36.615 39.554 67.128 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 37.018 38.739 66.828 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 35.761 39.572 66.697 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 41.907 36.189 9.576 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 42.823 36.074 9.321 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 41.872 35.888 10.484 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 32.857 95.159 11.858 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 32.801 95.834 11.182 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 32.577 95.600 12.661 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 62.788 89.141 39.239 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 62.422 88.328 39.587 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 62.332 89.834 39.717 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 81.618 76.540 15.179 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 80.874 75.944 15.086 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 82.276 76.032 15.652 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 64.605 16.273 63.690 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 64.362 16.073 64.594 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 64.443 17.212 63.600 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 67.348 17.226 17.517 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 66.791 17.373 16.753 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 67.989 16.578 17.226 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 81.710 94.341 22.483 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 80.872 93.879 22.509 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 81.483 95.238 22.238 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 46.268 27.356 34.837 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 46.548 27.148 33.946 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 46.133 28.304 34.831 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 52.239 36.003 54.725 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 51.965 35.598 53.902 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 51.504 36.564 54.973 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 73.909 7.364 10.186 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 73.876 8.204 9.729 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 74.829 7.258 10.428 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 82.067 27.647 15.316 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 81.305 28.058 14.909 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 81.890 27.691 16.256 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 78.327 54.647 -12.059 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 77.643 54.242 -11.526 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 79.020 53.987 -12.102 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 53.687 40.514 52.285 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 53.249 40.864 51.509 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 53.902 41.286 52.809 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 47.582 32.319 48.734 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 48.535 32.265 48.653 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 47.392 33.256 48.692 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 41.466 37.113 -6.012 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 41.513 36.175 -6.195 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 41.448 37.526 -6.875 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 60.429 35.175 -16.059 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 59.967 35.236 -15.223 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 59.775 34.836 -16.671 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 69.820 37.400 -7.725 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 69.887 37.438 -6.770 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 69.159 36.728 -7.892 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 81.729 26.078 54.413 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 82.174 26.852 54.066 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 81.576 25.525 53.647 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 35.618 43.768 43.576 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 34.713 43.525 43.771 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 35.740 44.610 44.015 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 50.164 36.549 0.347 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 50.686 35.747 0.375 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 50.037 36.786 1.265 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 81.967 54.799 28.813 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 81.818 55.364 29.571 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 82.264 55.394 28.125 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 35.320 39.129 -9.276 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 34.978 38.453 -9.861 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 34.630 39.254 -8.624 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 81.280 87.171 17.522 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 81.864 86.480 17.836 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 80.985 87.616 18.316 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 56.096 25.696 58.514 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 55.213 25.695 58.143 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 56.165 26.535 58.968 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 56.039 15.154 -13.404 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 55.848 14.706 -14.228 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 56.636 15.862 -13.648 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 28.952 48.128 12.118 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 28.780 48.534 11.268 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 29.888 47.930 12.104 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 64.655 31.078 18.476 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 64.810 31.951 18.115 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 63.728 30.910 18.306 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 77.497 66.997 63.084 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 76.947 67.710 63.408 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 76.877 66.349 62.748 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 40.356 95.003 -0.799 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 41.155 94.519 -1.011 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 39.721 94.717 -1.456 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 35.531 40.481 15.450 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 36.394 40.259 15.101 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 35.137 39.637 15.670 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 44.258 54.442 48.715 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 44.823 53.747 48.377 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 44.645 55.250 48.380 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 78.841 33.611 -17.688 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 79.223 34.404 -17.311 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 79.595 33.072 -17.927 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 75.982 24.199 38.025 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 76.519 24.945 37.756 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 76.608 23.571 38.387 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 69.109 63.030 40.526 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 68.223 62.768 40.274 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 69.408 63.588 39.809 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 45.920 39.215 62.902 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 46.691 39.675 63.234 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 45.440 38.952 63.687 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 25.669 42.937 38.115 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 25.312 42.373 37.429 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 26.551 42.598 38.270 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 22.615 21.522 52.131 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 22.670 21.133 53.004 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 22.976 20.854 51.548 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 31.030 36.053 60.590 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 30.489 36.818 60.789 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 31.908 36.410 60.450 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 55.565 54.804 55.204 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 55.199 54.455 54.392 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 54.805 54.941 55.770 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 83.294 77.691 7.601 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 82.465 78.165 7.666 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 83.209 77.167 6.804 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 55.380 13.927 51.475 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 54.967 14.747 51.204 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 56.100 14.199 52.045 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 48.800 28.771 39.934 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 48.651 29.122 39.056 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 48.811 29.542 40.501 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 36.310 29.175 -7.640 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 35.446 29.347 -8.014 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 36.413 28.225 -7.703 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 55.915 82.678 66.939 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 56.556 81.972 66.860 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 55.085 82.231 67.106 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 63.913 94.165 -8.173 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 64.468 93.835 -7.466 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 63.713 93.393 -8.702 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 76.350 20.323 58.525 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 76.151 20.893 57.782 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 77.246 20.552 58.769 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 58.635 86.073 58.197 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 58.941 86.962 58.018 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 57.901 86.189 58.800 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 73.005 94.234 19.910 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 72.844 94.734 20.710 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 72.135 94.096 19.535 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 75.137 35.291 -19.614 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 75.576 34.485 -19.886 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 74.502 35.009 -18.957 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 87.147 57.652 17.856 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 87.026 57.632 16.907 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 86.810 58.508 18.123 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 81.714 46.855 -11.381 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 80.884 47.197 -11.714 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 81.951 47.450 -10.670 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 24.194 58.488 28.687 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 24.947 57.905 28.587 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 24.566 59.304 29.021 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 45.361 35.911 24.417 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 44.610 35.960 23.825 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 46.124 35.944 23.840 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 72.295 39.320 -6.707 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 71.640 39.253 -7.402 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 72.305 40.248 -6.475 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 45.339 45.210 37.301 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 45.675 44.490 36.767 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 45.691 45.999 36.888 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 44.604 22.197 50.512 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 45.251 21.520 50.311 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 44.926 22.977 50.061 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 78.514 11.998 -13.842 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 79.114 11.408 -14.299 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 78.861 12.050 -12.952 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 87.285 28.684 10.612 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 87.387 27.799 10.260 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 88.174 28.954 10.842 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 51.865 42.568 -16.500 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 51.051 42.609 -15.999 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 51.919 41.659 -16.797 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 84.874 8.320 64.183 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 85.614 8.419 63.584 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 85.218 8.585 65.036 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 59.368 36.101 -0.021 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 59.392 36.965 -0.431 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 58.578 36.114 0.519 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 61.432 62.331 41.597 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 60.727 62.322 42.245 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 61.036 62.717 40.816 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 85.652 76.055 39.587 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 86.349 75.813 38.976 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 85.426 76.954 39.349 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 55.488 55.431 -15.505 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 55.876 54.556 -15.514 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 54.590 55.298 -15.809 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 78.599 -0.016 53.538 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 78.935 0.551 52.843 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 77.759 -0.331 53.205 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 82.184 75.224 -12.810 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 82.908 74.683 -12.496 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 82.294 75.245 -13.760 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 57.317 6.879 -19.424 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 57.609 6.293 -18.726 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 58.038 7.499 -19.534 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 64.750 15.143 -4.545 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 64.554 14.351 -5.046 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 64.368 15.854 -5.060 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 53.253 79.142 54.311 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 54.190 79.079 54.124 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 53.208 79.522 55.188 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 39.636 85.483 63.604 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 40.013 85.246 64.450 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 38.768 85.079 63.606 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 42.739 37.872 49.430 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 42.830 37.921 48.478 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 42.785 36.936 49.627 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 64.165 11.934 56.533 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 64.361 12.074 57.460 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 63.291 12.304 56.414 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 33.745 5.587 38.933 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 33.945 6.209 39.632 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 34.123 4.760 39.232 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 22.080 50.547 30.858 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 22.348 51.093 31.597 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 21.344 51.017 30.467 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 86.858 54.638 40.189 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 87.367 53.830 40.263 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 87.334 55.271 40.727 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 56.512 23.922 47.582 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 56.234 23.106 47.166 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 55.705 24.428 47.681 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 68.629 32.986 39.872 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 67.672 32.987 39.873 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 68.870 33.912 39.896 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 61.869 86.964 54.649 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 62.709 87.324 54.365 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 61.905 86.042 54.394 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 36.399 88.712 26.876 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 37.176 88.810 26.327 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 36.213 87.773 26.863 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 42.730 4.117 44.653 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 42.800 4.150 45.607 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 43.613 4.315 44.341 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 87.928 58.610 -1.852 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 88.171 57.706 -1.653 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 87.016 58.681 -1.571 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 36.051 56.983 50.957 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 36.689 56.780 51.641 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 36.552 57.463 50.297 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 72.970 83.988 -12.505 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 73.586 84.066 -13.234 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 73.311 83.263 -11.980 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 51.015 3.050 51.301 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 51.334 3.128 52.200 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 50.805 2.122 51.200 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 84.975 77.752 -14.041 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 84.549 77.864 -13.191 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 84.899 78.609 -14.462 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 32.343 59.856 45.839 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 33.072 60.315 46.257 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 31.700 59.740 46.538 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 21.343 79.999 33.015 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 21.850 79.187 32.998 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 21.657 80.493 32.257 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 61.404 82.461 9.442 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 61.246 81.773 8.796 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 60.534 82.803 9.647 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 76.902 30.701 59.463 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 77.142 31.503 59.926 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 76.197 30.322 59.988 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 79.693 18.845 51.787 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 79.413 19.397 51.057 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 78.925 18.313 51.994 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 62.337 72.939 -13.061 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 62.480 72.087 -12.648 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 62.045 73.506 -12.347 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 29.515 11.921 4.816 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 29.616 11.336 5.567 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 30.302 12.466 4.829 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 39.521 6.811 64.769 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 39.564 6.926 65.718 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 40.436 6.756 64.492 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 50.955 74.738 2.028 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 50.394 74.035 2.357 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 51.548 74.931 2.754 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 52.358 86.383 -12.775 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 52.604 87.193 -13.221 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 53.170 86.073 -12.374 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 34.346 83.468 62.507 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 34.070 82.761 63.090 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 33.626 83.561 61.883 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 88.856 62.836 -0.620 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 89.028 63.450 0.094 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 89.688 62.383 -0.753 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 28.854 13.931 57.810 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 28.319 14.677 58.081 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 29.449 14.289 57.151 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 25.988 82.706 -8.657 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 25.373 83.317 -9.061 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 26.113 82.021 -9.315 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 79.052 75.888 38.429 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 79.051 75.011 38.046 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 79.572 75.801 39.228 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 27.778 57.208 -5.228 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 28.297 56.761 -4.561 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 26.892 56.863 -5.114 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 47.699 59.805 -16.915 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 47.750 59.463 -17.808 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 47.007 60.466 -16.950 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 65.761 95.473 49.927 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 65.410 94.600 49.751 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 66.356 95.348 50.666 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 20.651 21.723 64.164 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 20.688 21.771 65.120 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 20.098 22.461 63.908 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 37.331 44.059 54.040 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 38.000 44.036 53.355 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 36.724 44.745 53.759 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 64.752 56.511 23.651 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 64.215 55.918 24.176 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 64.133 56.927 23.051 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 37.705 41.041 49.396 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 38.538 40.574 49.348 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 37.909 41.927 49.096 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 38.019 89.658 53.384 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 38.835 90.117 53.581 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 37.662 90.120 52.625 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 59.841 68.858 50.394 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 59.195 68.176 50.576 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 60.023 68.774 49.458 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 67.658 70.447 42.953 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 67.014 70.865 43.525 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 68.473 70.466 43.455 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 59.370 39.242 64.587 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 59.389 40.195 64.673 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 59.575 38.918 65.464 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 63.691 81.706 7.101 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 63.047 82.399 7.244 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 63.343 80.952 7.576 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 42.066 46.675 -9.367 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 42.588 47.054 -10.074 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 41.939 47.395 -8.750 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 89.703 36.541 50.817 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 90.535 36.862 50.470 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 89.654 36.905 51.701 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 35.161 17.854 34.213 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 34.595 18.182 34.911 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 35.440 18.639 33.741 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 80.576 59.431 30.644 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 79.633 59.424 30.811 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 80.793 60.357 30.535 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 62.674 5.041 17.859 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 63.460 4.791 17.372 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 62.974 5.147 18.761 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 28.757 15.567 27.141 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 29.081 15.480 26.244 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 29.432 16.075 27.591 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 79.335 21.660 -13.480 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 80.064 22.232 -13.724 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 79.688 21.103 -12.787 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 58.976 22.945 18.185 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 58.631 23.838 18.160 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 58.221 22.391 17.988 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 74.187 67.785 62.098 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 73.785 66.946 62.321 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 73.507 68.433 62.281 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 24.694 69.338 64.579 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 24.889 70.121 64.064 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 25.448 68.765 64.440 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 82.293 65.554 -6.006 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 81.405 65.713 -6.326 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 82.753 66.380 -6.155 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 52.621 95.242 56.531 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 52.413 94.646 55.811 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 51.867 95.183 57.117 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 44.785 23.353 -19.405 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 44.410 24.059 -19.932 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 44.031 22.834 -19.127 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 29.249 17.785 36.644 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 29.392 18.036 37.557 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 29.815 17.024 36.514 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 90.073 62.090 37.375 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 90.563 62.498 38.088 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 90.738 61.861 36.726 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 78.664 90.260 13.667 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 79.098 90.142 14.512 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 78.118 89.480 13.567 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 57.071 20.041 -6.661 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 57.408 20.452 -5.864 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 57.265 20.671 -7.355 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 35.854 61.990 62.098 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 35.864 62.916 62.338 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 35.286 61.947 61.329 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 41.550 7.643 30.349 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 40.694 7.235 30.218 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 41.350 8.556 30.559 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 51.246 26.832 43.497 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 51.291 27.774 43.663 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 51.770 26.703 42.707 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 25.895 18.576 -13.148 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 25.601 19.370 -13.593 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 26.166 18.874 -12.279 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 72.071 26.946 53.696 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 71.178 26.633 53.548 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 72.225 27.572 52.989 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 68.745 87.367 -2.137 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 68.915 86.845 -1.352 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 68.405 88.198 -1.804 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 33.630 87.752 -17.554 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 34.392 87.172 -17.556 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 33.943 88.560 -17.960 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 54.617 84.854 53.134 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 54.896 85.002 52.230 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 54.055 84.080 53.088 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 23.088 35.093 11.113 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 23.031 36.047 11.176 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 22.325 34.774 11.593 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 76.329 70.835 -10.093 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 75.590 71.257 -9.654 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 76.750 70.316 -9.407 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 76.262 91.227 35.948 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 75.424 90.783 36.082 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 76.077 91.893 35.287 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 59.546 15.347 -11.352 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 59.850 14.721 -12.008 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 60.079 16.128 -11.500 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 46.249 41.018 49.864 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 45.355 41.360 49.867 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 46.770 41.710 49.458 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 47.561 50.599 45.461 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 47.168 51.292 44.930 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 48.504 50.744 45.382 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 21.983 75.115 55.930 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 22.182 74.507 55.218 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 21.595 74.567 56.612 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 57.570 81.559 -0.041 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 57.634 81.981 0.815 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 57.380 80.642 0.157 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 23.934 85.788 -4.698 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 24.342 85.778 -3.833 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 24.235 86.604 -5.097 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 31.649 15.376 47.320 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 31.436 15.221 48.240 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 31.187 16.184 47.099 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 34.290 60.383 50.927 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 35.231 60.439 51.094 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 34.158 60.888 50.125 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 52.056 85.953 62.347 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 51.506 85.231 62.651 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 52.082 85.851 61.395 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 51.169 10.227 40.877 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 51.114 9.311 40.606 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 51.958 10.272 41.417 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 22.535 36.617 63.826 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 22.229 37.194 64.526 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 23.430 36.389 64.077 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 43.014 23.072 -14.209 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 42.604 22.257 -14.499 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 43.175 23.560 -15.017 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 49.834 18.901 -19.023 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 50.013 18.386 -19.809 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 50.689 19.008 -18.606 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 44.574 4.315 31.504 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 45.527 4.328 31.414 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 44.407 4.734 32.348 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 30.603 65.375 -0.071 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 30.169 64.670 -0.551 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 31.202 64.927 0.526 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 80.299 30.784 39.777 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 80.988 31.008 39.151 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 80.382 29.838 39.898 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 60.392 32.774 46.159 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 60.541 33.347 45.407 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 60.549 31.892 45.822 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 83.019 88.468 8.093 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 83.971 88.465 8.192 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 82.687 88.199 8.950 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 27.235 89.634 16.789 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 26.476 89.642 16.206 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 27.920 90.087 16.297 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 26.262 32.860 16.759 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 25.646 33.539 17.035 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 27.104 33.139 17.116 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 62.231 19.432 34.882 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 62.354 18.571 34.484 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 61.563 19.854 34.340 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 22.127 59.384 33.612 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 22.888 59.487 33.041 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 21.482 60.002 33.268 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 70.073 61.531 53.130 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 69.231 61.964 53.274 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 69.842 60.633 52.892 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 69.661 90.473 39.551 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 69.211 91.058 38.942 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 69.483 89.594 39.215 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 79.069 86.349 43.758 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 79.710 87.002 44.041 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 78.260 86.597 44.206 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 27.090 9.638 38.762 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 26.553 10.411 38.588 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 26.540 9.082 39.313 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 22.003 60.685 12.828 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 22.210 60.085 12.111 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 22.855 60.980 13.148 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 69.186 10.678 -16.312 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 69.670 9.998 -15.844 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 69.585 11.499 -16.023 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 38.165 55.278 42.894 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 38.574 56.116 43.111 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 38.877 54.750 42.533 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 48.834 40.139 47.211 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 48.429 39.316 46.938 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 48.364 40.813 46.720 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 66.504 21.143 42.872 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 67.392 21.413 43.102 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 66.587 20.217 42.642 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 39.973 83.187 65.587 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 40.413 82.410 65.242 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 39.089 82.887 65.800 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 60.871 56.810 -3.050 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 60.834 57.667 -2.627 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 60.441 56.218 -2.433 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 71.027 57.834 4.836 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 71.485 58.668 4.731 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 70.369 58.005 5.510 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 81.214 76.124 59.978 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 81.231 75.819 60.885 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 80.717 75.454 59.508 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 65.903 34.220 45.500 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 65.240 34.908 45.557 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 66.604 34.605 44.975 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 80.860 42.136 22.527 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 80.603 41.828 21.658 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 80.062 42.518 22.892 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 29.274 57.373 32.315 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 29.084 56.790 31.580 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 30.204 57.579 32.224 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 57.807 37.051 5.944 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 56.981 36.937 5.474 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 57.849 37.988 6.132 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 60.728 50.451 -8.811 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 59.812 50.377 -9.080 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 60.826 51.366 -8.545 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 35.689 47.191 63.167 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 35.829 47.595 64.024 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 36.407 46.565 63.078 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 28.257 57.441 -9.796 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 28.291 56.488 -9.882 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 28.644 57.620 -8.939 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 68.472 51.803 52.983 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 68.586 50.874 53.187 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 68.969 51.934 52.175 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 45.991 58.626 44.240 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 45.813 58.444 43.317 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 45.935 59.578 44.312 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 41.639 37.536 66.121 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 41.324 36.681 65.830 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 41.374 38.139 65.426 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 59.669 56.000 58.594 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 60.093 56.282 57.783 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 60.208 56.376 59.290 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 24.911 65.928 32.130 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 25.865 65.859 32.165 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 24.652 65.330 31.429 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 34.476 42.341 10.974 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 33.522 42.302 10.906 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 34.645 42.491 11.904 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 32.867 80.464 -18.123 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 32.849 79.641 -17.635 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 33.747 80.503 -18.496 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 51.430 27.558 -7.471 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 51.166 28.232 -6.844 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 52.336 27.774 -7.688 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 63.305 17.163 46.830 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 63.902 16.900 46.130 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 62.549 16.584 46.731 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 46.629 1.511 61.656 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 47.238 2.236 61.797 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 45.986 1.599 62.360 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 75.610 63.632 14.259 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 75.280 62.767 14.019 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 76.077 63.936 13.480 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 48.447 47.921 61.085 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 47.639 48.095 60.602 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 48.726 48.780 61.402 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 23.852 28.928 -8.429 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 23.673 29.587 -9.100 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 24.770 28.691 -8.565 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 25.064 79.360 -5.944 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 24.513 80.037 -6.337 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 24.850 79.388 -5.012 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 82.290 94.851 48.149 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 82.407 95.244 49.014 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 81.364 94.608 48.120 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 54.209 66.177 60.632 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 54.337 66.076 59.689 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 53.436 65.647 60.828 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 25.640 46.840 20.305 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 26.592 46.750 20.359 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 25.486 47.258 19.458 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 53.673 19.263 33.298 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 54.187 18.458 33.234 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 53.751 19.667 32.434 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 75.665 92.226 -13.034 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 75.985 92.176 -13.935 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 75.948 91.403 -12.633 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 22.428 88.596 -6.120 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 22.551 87.864 -6.725 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 23.159 89.185 -6.303 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 88.971 43.519 25.616 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 89.195 44.202 24.984 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 89.706 42.907 25.578 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 89.582 1.293 40.700 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 88.838 0.693 40.647 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 89.771 1.359 41.636 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 34.599 76.125 48.228 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 35.232 75.511 48.601 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 35.077 76.952 48.164 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 85.160 33.468 26.742 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 84.481 33.024 27.249 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 85.033 34.398 26.934 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 62.134 83.769 51.972 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 61.340 83.652 52.493 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 62.813 83.981 52.612 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 72.168 60.236 37.960 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 71.421 60.273 38.557 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 72.257 61.130 37.631 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 89.479 90.532 65.414 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 88.924 91.021 66.022 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 89.652 89.703 65.861 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 74.206 74.759 7.105 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 73.285 74.958 6.936 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 74.188 73.939 7.597 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 70.373 18.525 -8.816 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 70.314 17.846 -9.489 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 70.342 18.046 -7.988 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 64.974 31.552 55.424 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 64.428 32.096 55.992 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 64.379 31.249 54.738 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 74.328 33.359 10.580 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 74.712 33.272 11.453 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 73.506 33.826 10.725 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 64.709 91.894 -13.022 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 63.971 91.536 -12.530 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 64.520 91.673 -13.934 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 42.609 89.606 33.599 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 43.374 89.044 33.724 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 42.107 89.512 34.409 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 70.453 3.620 -13.184 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 70.757 4.435 -13.583 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 71.018 3.500 -12.422 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 69.071 48.892 53.764 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 68.955 48.921 52.815 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 68.200 48.690 54.107 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 40.903 27.534 27.583 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 40.472 28.355 27.822 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 40.371 27.182 26.870 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 87.536 29.261 -19.422 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 88.489 29.205 -19.480 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 87.255 29.501 -20.306 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 22.787 87.798 28.415 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 23.466 87.134 28.299 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 22.344 87.839 27.568 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 51.333 27.739 54.171 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 51.642 28.443 53.600 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 50.780 27.198 53.606 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 76.686 0.711 47.510 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 76.326 -0.175 47.465 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 77.604 0.610 47.256 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 21.430 10.881 -5.830 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 22.037 11.604 -5.670 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 20.844 11.205 -6.513 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 38.136 25.362 26.852 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 38.295 26.047 26.202 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 38.556 24.583 26.487 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 44.515 95.479 19.900 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 43.935 95.425 19.140 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 44.559 94.582 20.232 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 65.436 34.233 16.153 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 64.748 34.803 16.496 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 64.965 33.511 15.737 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 71.332 55.455 64.199 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 70.389 55.355 64.071 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 71.413 55.940 65.020 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 78.715 41.220 53.880 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 78.029 40.552 53.879 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 78.354 41.934 53.355 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 42.977 22.867 53.627 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 43.284 23.523 53.002 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 43.187 22.028 53.216 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 60.513 38.735 43.230 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 60.247 38.679 42.312 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 61.465 38.824 43.199 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 38.096 3.443 -6.826 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 37.434 3.392 -7.517 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 37.825 4.188 -6.289 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 43.303 16.765 29.210 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 42.627 16.119 29.002 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 43.727 16.946 28.371 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 24.886 79.754 -2.127 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 25.591 79.404 -2.672 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 24.282 80.161 -2.748 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 29.307 28.181 24.576 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 28.565 28.634 24.176 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 29.602 27.564 23.906 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 64.882 82.539 -13.573 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 65.236 82.678 -14.451 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 65.487 81.919 -13.166 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 20.819 2.131 13.485 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 21.756 2.159 13.289 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 20.663 2.906 14.023 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 56.896 11.324 64.707 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 57.617 11.425 64.086 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 56.322 10.672 64.304 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 67.539 59.902 64.347 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 68.274 59.326 64.136 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 67.178 59.544 65.158 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 47.793 56.751 56.197 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 48.521 56.897 55.593 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 47.339 57.593 56.234 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 71.145 23.501 39.017 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 70.842 22.594 38.970 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 72.061 23.463 38.741 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 26.017 55.873 -3.690 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 26.195 55.201 -3.032 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 25.352 55.483 -4.258 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 23.866 12.321 -0.382 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 24.728 12.503 -0.008 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 23.881 11.382 -0.572 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 87.420 80.795 22.866 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 86.742 81.344 22.470 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 86.941 80.058 23.244 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 31.752 35.553 37.565 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 31.492 36.349 38.029 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 31.897 35.838 36.663 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 90.670 15.389 57.781 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 89.749 15.647 57.772 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 91.024 15.791 58.574 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 87.292 73.905 23.977 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 86.768 74.706 23.998 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 86.741 73.269 23.521 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 59.049 22.025 -8.131 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 59.566 21.660 -7.412 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 58.650 22.813 -7.763 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 30.184 72.276 -1.150 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 31.118 72.404 -0.985 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 29.836 71.948 -0.320 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 33.541 14.517 3.411 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 33.103 15.367 3.442 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 33.495 14.256 2.491 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 34.849 14.666 19.880 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 34.425 15.523 19.849 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 35.221 14.550 19.006 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 70.336 39.368 7.640 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 69.794 39.882 8.239 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 69.897 38.519 7.589 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 53.466 22.092 53.141 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 52.591 22.122 52.755 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 54.026 22.530 52.499 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 86.372 38.320 25.412 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 85.628 38.630 24.895 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 87.106 38.864 25.127 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 83.895 43.934 44.412 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 84.288 43.067 44.513 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 83.276 44.003 45.138 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 76.610 58.564 60.888 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 75.987 57.935 61.253 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 76.145 58.962 60.152 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 72.485 36.865 57.784 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 73.331 36.426 57.875 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 72.091 36.468 57.007 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 53.372 90.393 46.978 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 53.131 89.682 46.384 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 54.222 90.695 46.657 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 33.242 16.433 56.049 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 33.425 17.206 55.515 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 33.521 16.678 56.931 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 67.734 83.013 12.257 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 68.075 83.904 12.186 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 67.609 82.878 13.196 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 74.562 24.111 53.063 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 73.989 24.505 52.404 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 74.181 23.248 53.226 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 26.743 53.218 66.256 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 27.204 52.444 66.579 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 27.350 53.941 66.411 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 23.136 80.826 -3.782 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 22.331 80.326 -3.648 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 22.959 81.364 -4.554 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 89.234 30.747 55.038 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 88.492 30.681 55.639 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 89.545 31.646 55.138 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 39.266 49.603 42.403 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 38.592 50.278 42.331 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 40.006 50.047 42.819 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 28.375 4.992 23.577 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 27.679 5.538 23.210 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 27.943 4.166 23.794 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 24.387 86.921 61.620 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 24.671 86.099 61.219 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 25.193 87.316 61.953 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 71.888 63.251 -4.666 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 72.640 62.719 -4.406 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 71.156 62.894 -4.161 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 44.983 91.748 7.188 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 44.086 91.800 7.519 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 45.278 90.870 7.430 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 83.504 64.845 22.737 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 84.131 64.479 23.361 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 82.984 64.094 22.451 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 57.780 37.327 50.347 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 57.245 38.018 50.739 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 58.351 37.786 49.732 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 20.474 53.186 -7.002 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 19.661 53.525 -7.375 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 20.913 52.755 -7.736 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 88.908 21.541 11.042 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 88.108 21.487 10.519 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 89.428 20.787 10.763 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 59.691 90.225 -15.386 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 60.264 90.797 -15.895 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 59.192 89.738 -16.042 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 25.601 26.565 56.565 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 25.635 25.820 57.166 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 26.313 26.406 55.946 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 20.221 40.561 3.288 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 20.198 40.973 2.424 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 21.009 40.914 3.701 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 35.720 41.017 51.588 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 36.374 41.339 50.967 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 34.885 41.328 51.240 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 43.611 83.665 56.780 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 43.726 84.605 56.920 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 44.470 83.288 56.970 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 23.719 1.823 47.642 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 22.821 1.900 47.317 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 23.624 1.736 48.590 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 60.651 67.696 30.195 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 60.682 67.507 29.257 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 59.756 67.999 30.349 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 61.029 25.317 51.459 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 60.484 26.020 51.108 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 61.497 24.973 50.697 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 58.798 66.818 -4.095 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 58.303 66.272 -3.484 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 58.248 67.592 -4.224 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 26.868 43.448 -9.054 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 26.977 43.815 -8.177 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 26.289 42.696 -8.929 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 55.633 62.625 25.690 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 55.478 62.312 24.799 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 55.932 61.852 26.168 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 34.395 62.158 59.548 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 35.123 62.266 58.936 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 33.703 62.719 59.199 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 89.980 45.683 30.207 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 89.381 45.217 29.624 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 90.468 46.271 29.630 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 67.105 69.277 59.511 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 67.305 69.411 58.584 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 66.818 70.135 59.822 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 47.143 52.818 -4.835 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 46.791 53.060 -5.692 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 47.445 53.645 -4.458 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 71.445 60.016 -6.417 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 71.720 59.175 -6.053 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 70.929 60.422 -5.720 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 41.450 29.839 -9.501 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 40.792 30.466 -9.801 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 42.283 30.203 -9.802 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 47.438 6.458 19.311 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 46.858 5.698 19.358 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 47.641 6.548 18.380 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 66.205 17.025 0.025 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 65.299 16.964 0.326 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 66.634 17.589 0.670 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 36.355 66.360 50.695 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 36.056 67.023 50.073 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 37.278 66.227 50.478 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 84.888 26.191 52.413 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 84.914 25.246 52.563 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 84.751 26.281 51.470 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 57.636 70.503 -9.522 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 58.461 70.655 -9.061 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 57.018 71.111 -9.115 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 38.477 29.242 40.655 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 38.705 28.318 40.758 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 38.986 29.692 41.329 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 63.755 49.562 42.863 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 63.503 50.096 42.109 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 64.514 50.012 43.233 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 32.756 21.632 25.499 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 32.147 22.240 25.919 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 32.748 21.885 24.576 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 26.700 45.743 38.607 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 27.201 45.101 38.104 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 25.821 45.369 38.665 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 74.107 28.180 9.441 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 74.180 28.380 10.374 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 73.522 27.423 9.403 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 47.512 64.062 -13.671 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 47.453 63.865 -14.606 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 46.627 63.914 -13.338 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 43.703 78.871 26.914 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 44.105 78.193 27.456 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 42.780 78.621 26.862 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 82.846 12.803 -1.067 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 82.044 12.291 -1.166 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 82.589 13.551 -0.528 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 44.791 76.206 8.468 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 44.387 75.544 9.029 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 45.612 75.808 8.181 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 21.034 51.284 14.344 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 20.743 52.040 14.853 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 21.304 51.650 13.502 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 29.566 40.980 41.829 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 29.919 41.683 41.283 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 29.277 41.419 42.629 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 38.556 89.519 29.267 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 38.298 89.007 28.501 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 38.366 88.949 30.012 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 73.859 8.691 66.845 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 73.015 8.724 67.296 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 74.340 7.992 67.289 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 55.399 8.876 -18.505 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 55.968 8.108 -18.566 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 56.002 9.617 -18.450 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 65.733 96.896 22.534 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 66.293 96.233 22.938 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 64.992 96.403 22.183 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 80.684 80.337 37.988 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 80.210 80.270 38.817 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 81.299 79.604 38.003 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 58.269 50.529 -16.370 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 58.823 50.857 -15.662 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 58.550 51.020 -17.142 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 65.607 35.270 54.151 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 66.407 35.158 54.664 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 64.909 35.325 54.804 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 70.228 76.001 31.283 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 69.769 75.399 30.697 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 69.754 76.829 31.196 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 68.507 54.906 9.785 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 68.913 55.170 10.611 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 67.583 54.782 10.000 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 67.095 26.023 44.295 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 66.717 26.066 43.417 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 67.809 26.661 44.280 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 79.236 2.307 -12.128 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 79.238 2.897 -11.374 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 78.770 1.529 -11.823 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 52.909 31.742 35.200 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 52.447 32.412 35.704 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 52.214 31.218 34.803 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 43.926 71.559 29.771 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 44.590 72.142 30.139 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 44.197 70.683 30.046 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 70.279 32.110 26.564 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 70.487 31.325 26.057 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 70.170 32.798 25.907 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 44.769 54.477 -18.296 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 44.227 54.227 -17.548 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 45.360 55.147 -17.951 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 89.736 89.701 38.718 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 89.909 88.806 38.426 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 90.603 90.067 38.895 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 63.240 49.896 -6.233 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 63.362 50.787 -6.562 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 62.291 49.788 -6.177 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 60.958 91.067 -17.922 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 61.288 91.963 -17.985 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 60.131 91.081 -18.403 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 48.946 31.122 34.779 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 48.515 31.909 35.113 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 48.563 30.989 33.911 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 59.857 44.493 44.791 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 60.671 44.697 44.330 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 60.047 43.683 45.265 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 35.643 31.567 3.188 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 35.448 31.352 4.100 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 34.851 31.323 2.709 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 50.191 55.011 43.114 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 49.699 55.637 43.645 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 49.631 54.848 42.355 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 41.324 38.990 56.054 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 40.384 39.121 56.181 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 41.602 39.738 55.526 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 36.760 56.513 24.568 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 36.616 57.458 24.619 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 37.680 56.397 24.807 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 75.383 53.184 59.289 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 75.851 53.135 58.455 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 75.924 53.756 59.834 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 75.020 41.888 49.341 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 75.183 41.569 48.454 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 75.853 41.764 49.797 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 54.209 43.217 -9.669 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 54.099 43.989 -10.225 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 53.327 43.019 -9.355 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 58.638 55.639 65.633 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 59.064 55.108 66.305 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 57.880 55.119 65.362 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 55.373 18.784 52.350 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 55.228 19.577 51.834 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 55.308 18.070 51.716 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 47.129 24.452 45.857 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 46.279 24.865 45.703 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 47.768 25.131 45.645 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 61.833 81.972 -16.542 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 61.748 81.035 -16.717 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 61.753 82.385 -17.402 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 35.841 89.661 4.196 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 35.016 89.721 4.678 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 36.381 90.365 4.556 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 23.123 87.795 -13.357 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 22.374 87.463 -12.863 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 23.887 87.498 -12.863 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 64.373 22.244 -11.722 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 64.271 22.465 -12.648 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 63.477 22.198 -11.387 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 89.757 56.880 26.105 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 90.498 57.487 26.114 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 90.138 56.041 25.848 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 38.005 94.146 5.439 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 38.412 93.630 6.135 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 37.092 94.238 5.711 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 77.617 20.537 46.879 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 77.351 20.998 46.082 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 78.066 19.753 46.564 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 85.998 82.504 -17.452 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 86.499 82.161 -16.712 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 85.143 82.079 -17.380 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 50.397 46.787 67.091 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 51.224 46.714 67.568 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 50.529 47.519 66.490 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 75.851 34.509 8.611 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 76.677 34.252 9.022 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 75.188 34.344 9.282 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 60.491 4.818 -4.357 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 59.738 5.092 -3.833 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 61.251 5.147 -3.876 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 38.782 21.067 45.107 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 38.266 21.850 44.914 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 38.658 20.503 44.343 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 41.023 37.634 -8.592 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 40.983 37.923 -9.504 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 40.165 37.245 -8.425 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 77.371 76.756 34.481 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 78.165 77.148 34.843 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 76.663 77.102 35.025 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 90.060 28.156 23.649 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 90.585 28.881 23.311 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 89.756 27.695 22.867 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 36.060 76.524 41.386 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 36.618 75.753 41.494 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 35.167 76.184 41.444 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 27.104 53.661 44.538 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 26.789 53.037 43.884 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 26.856 54.518 44.191 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 82.929 95.945 0.021 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 83.048 95.890 0.970 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 83.007 96.878 -0.177 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 74.356 13.182 57.655 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 75.177 13.510 58.022 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 73.965 13.943 57.226 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 44.919 7.788 65.701 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 44.649 7.001 66.175 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 44.243 7.909 65.034 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 39.356 74.517 66.258 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 39.140 74.638 67.182 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 40.289 74.724 66.200 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 75.231 72.322 -18.080 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 75.025 71.634 -17.447 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 74.390 72.536 -18.484 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 88.384 95.639 42.800 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 87.988 96.069 42.042 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 89.303 95.526 42.559 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 72.432 41.460 15.721 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 72.245 41.528 14.785 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 72.757 42.327 15.964 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 52.150 24.953 45.246 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 51.769 25.731 44.841 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 51.516 24.257 45.073 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 74.011 5.914 14.138 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 74.850 5.747 14.569 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 73.454 5.184 14.407 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 22.650 84.790 27.461 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 22.659 83.845 27.609 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 22.667 85.171 28.339 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 29.780 96.248 5.387 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 30.165 95.870 4.596 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 29.746 95.521 6.008 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 79.860 14.078 -4.515 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 79.635 14.153 -3.588 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 79.304 13.371 -4.841 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 20.982 7.929 39.705 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 20.035 7.927 39.564 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 21.337 7.451 38.955 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 48.184 75.017 41.337 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 47.742 75.726 40.870 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 49.059 74.985 40.950 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 47.311 83.397 29.244 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 47.116 82.982 28.404 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 47.717 82.705 29.766 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 36.504 57.111 9.573 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 36.157 57.792 10.149 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 36.991 56.529 10.157 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 52.368 7.605 32.680 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 52.263 7.843 31.759 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 53.250 7.901 32.905 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 68.991 50.467 26.288 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 68.311 51.138 26.236 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 68.518 49.662 26.502 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 81.910 44.831 58.658 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 81.271 45.524 58.491 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 82.631 45.271 59.106 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 77.704 1.448 60.512 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 77.252 1.440 59.668 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 77.373 0.675 60.968 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 29.199 24.332 1.189 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 29.249 24.871 1.978 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 29.917 24.644 0.638 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 28.140 48.320 3.134 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 28.814 47.910 3.676 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 28.080 49.217 3.463 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 30.751 21.946 12.891 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 29.821 22.073 13.082 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 30.881 21.000 12.951 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 52.861 12.710 49.962 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 52.656 11.876 49.538 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 52.450 12.648 50.824 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 79.913 53.290 32.202 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 79.489 52.846 32.937 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 79.335 54.026 32.000 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 46.159 84.967 62.742 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 45.747 85.749 62.374 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 47.099 85.135 62.671 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 45.754 10.322 52.278 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 46.308 11.103 52.268 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 46.210 9.698 51.712 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 87.189 21.506 37.297 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 86.464 22.125 37.213 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 87.816 21.948 37.870 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 51.836 42.276 -8.757 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 51.813 42.160 -7.807 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 50.990 42.668 -8.972 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 35.310 80.904 20.423 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 35.006 80.401 21.178 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 35.001 81.795 20.587 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 75.927 73.743 66.467 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 75.609 73.257 67.227 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 75.536 74.612 66.557 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 31.942 72.568 33.339 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 32.835 72.845 33.136 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 31.989 72.243 34.238 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 86.503 3.659 63.170 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 86.051 3.276 63.922 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 86.405 4.604 63.287 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 68.822 22.945 61.897 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 69.187 22.065 61.801 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 68.852 23.115 62.838 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 33.220 32.582 -15.562 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 33.301 32.350 -14.637 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 33.884 33.258 -15.699 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 32.012 0.260 22.489 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 31.405 0.145 23.220 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 31.879 1.165 22.207 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 70.446 4.877 -0.803 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 70.220 5.771 -0.545 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 70.326 4.864 -1.753 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 63.808 57.842 -13.628 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 63.452 58.730 -13.609 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 64.751 57.965 -13.741 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 80.578 18.325 58.512 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 80.321 18.544 57.616 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 79.754 18.285 58.996 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 26.752 11.883 49.826 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 27.111 11.093 50.230 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 27.510 12.321 49.440 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 63.505 2.948 24.102 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 62.643 3.285 23.855 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 63.364 2.524 24.948 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 75.153 58.822 44.906 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 74.529 58.538 45.574 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 75.437 58.012 44.482 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 65.236 69.397 -18.720 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 65.870 69.691 -18.065 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 65.071 70.171 -19.258 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 76.556 36.406 37.335 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 77.309 36.866 36.963 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 76.661 35.500 37.044 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 53.595 91.349 -13.852 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 53.856 90.448 -14.045 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 53.482 91.368 -12.902 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 85.149 18.883 57.889 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 85.146 18.970 58.842 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 84.225 18.931 57.641 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 48.803 53.783 -1.983 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 48.457 53.740 -1.091 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 48.885 52.869 -2.253 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 22.428 18.013 46.701 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 22.764 17.932 45.809 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 22.414 18.956 46.868 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 86.797 93.613 4.032 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 86.220 93.063 3.501 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 86.557 93.409 4.936 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 24.733 30.714 64.986 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 25.119 31.046 65.797 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 24.383 31.491 64.551 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 51.570 21.002 31.480 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 52.392 20.839 31.017 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 50.891 20.706 30.874 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 21.330 10.960 -13.626 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 20.603 11.569 -13.497 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 21.790 11.295 -14.395 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 60.342 52.569 59.078 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 61.225 52.925 58.976 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 59.821 53.307 59.396 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 31.423 24.564 -5.206 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 31.432 23.663 -5.531 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 30.508 24.836 -5.278 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 42.106 43.631 25.150 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 42.887 43.197 25.494 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 42.122 44.503 25.545 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 64.028 94.096 -16.427 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 64.876 94.265 -16.838 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 64.031 93.155 -16.248 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 75.160 18.431 63.519 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 75.555 18.312 62.655 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 74.262 18.117 63.418 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 25.409 35.300 39.822 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 24.812 35.990 39.532 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 24.916 34.489 39.699 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 79.230 92.322 65.519 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 79.284 93.275 65.451 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 80.108 92.015 65.292 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 43.994 25.998 42.358 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 44.916 25.769 42.240 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 43.772 26.510 41.581 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 55.488 93.262 41.057 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 55.173 93.677 40.254 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 56.259 92.765 40.784 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 52.294 93.187 65.710 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 52.848 92.725 66.338 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 52.725 94.033 65.585 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 53.594 45.292 -11.333 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 53.753 45.831 -12.108 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 53.388 45.921 -10.642 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 75.857 63.926 37.371 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 76.292 64.763 37.208 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 75.105 64.149 37.920 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 36.824 49.624 57.519 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 36.421 50.489 57.584 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 37.728 49.799 57.258 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 73.053 10.206 38.054 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 73.904 10.589 37.838 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 73.250 9.546 38.719 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 32.345 21.692 47.993 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 32.576 21.591 47.070 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 33.111 22.110 48.388 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 87.009 65.215 -17.105 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 86.973 66.165 -17.214 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 86.126 64.971 -16.829 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 54.046 23.167 14.942 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 53.353 22.526 14.788 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 53.646 23.818 15.520 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 26.145 50.704 15.802 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 26.617 50.205 15.135 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 25.234 50.697 15.508 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 88.970 81.435 -7.837 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 88.833 81.146 -6.935 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 89.188 80.634 -8.314 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 76.549 11.520 -8.356 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 76.240 12.029 -9.106 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 77.381 11.929 -8.116 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 87.938 26.021 4.922 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 87.599 26.907 5.045 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 87.712 25.800 4.018 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 52.555 28.650 -14.516 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 52.237 29.540 -14.365 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 51.852 28.085 -14.194 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 43.103 30.793 -18.606 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 42.182 30.621 -18.798 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 43.126 30.949 -17.662 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 35.842 9.047 -11.478 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 35.997 8.470 -10.731 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 36.591 8.899 -12.056 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 25.574 26.305 32.979 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 25.080 25.502 33.145 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 25.110 26.979 33.475 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 70.187 25.252 45.800 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 70.489 24.474 45.332 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 70.946 25.535 46.311 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 80.550 12.726 45.538 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 81.186 12.089 45.865 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 81.040 13.546 45.479 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 43.193 40.254 51.514 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 43.554 40.940 50.952 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 42.985 39.538 50.914 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 86.681 96.324 46.604 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 85.987 95.691 46.785 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 86.335 97.157 46.924 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 30.343 15.637 -1.907 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 30.827 16.253 -1.357 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 30.987 14.969 -2.143 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 78.749 61.784 28.811 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 78.196 62.556 28.690 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 79.574 62.010 28.382 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 79.917 13.398 -1.937 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 78.965 13.320 -2.011 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 80.090 13.342 -0.998 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 50.392 50.224 -18.277 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 49.484 50.045 -18.032 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 50.910 49.863 -17.557 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 89.027 32.182 -10.896 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 89.961 32.370 -10.809 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 88.991 31.272 -11.190 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 84.474 61.162 25.760 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 84.369 60.683 26.583 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 85.387 61.017 25.513 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 46.603 34.290 64.952 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 47.330 34.613 65.485 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 45.841 34.340 65.529 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 29.604 25.054 -9.668 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 29.903 25.192 -10.566 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 30.201 25.578 -9.133 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 67.336 39.161 51.778 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 67.067 40.013 52.122 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 66.517 38.733 51.531 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 72.522 26.520 63.165 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 72.387 27.000 62.347 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 72.915 27.161 63.757 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 80.528 79.322 1.013 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 79.606 79.566 1.100 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 80.969 79.798 1.717 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 39.752 0.313 57.704 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 40.014 0.475 56.797 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 38.828 0.071 57.646 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 30.467 15.322 55.839 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 30.303 15.774 55.011 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 31.376 15.530 56.051 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 88.180 9.685 48.148 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 89.047 9.704 47.743 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 87.950 10.606 48.265 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 46.961 44.827 -13.051 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 46.346 45.334 -12.520 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 47.819 45.198 -12.845 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 42.299 34.223 58.591 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 42.958 34.371 59.268 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 42.010 35.100 58.341 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 45.042 58.329 -17.595 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 45.536 58.666 -18.342 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 45.679 57.817 -17.097 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 23.264 41.210 -14.792 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 23.144 40.287 -14.570 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 24.002 41.493 -14.253 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 88.750 22.747 -4.996 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 89.537 22.874 -5.526 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 88.838 21.861 -4.644 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 24.002 61.768 64.746 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 24.121 61.119 65.439 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 23.070 61.986 64.779 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 57.546 47.851 -3.030 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 58.003 48.689 -2.954 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 57.109 47.738 -2.186 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 54.838 8.635 51.440 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 54.897 9.556 51.186 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 55.291 8.589 52.282 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 52.685 23.385 49.093 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 51.913 23.563 49.631 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 52.425 22.653 48.535 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 66.796 90.273 2.614 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 65.936 89.907 2.410 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 67.097 90.654 1.789 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 21.142 76.378 65.328 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 21.125 76.237 64.382 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 21.618 75.623 65.674 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 20.124 21.682 50.152 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 20.840 22.305 50.024 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 19.976 21.679 51.098 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 28.089 67.071 -15.451 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 28.983 67.068 -15.792 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 27.761 66.190 -15.628 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 44.772 35.549 3.878 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 44.198 35.112 4.507 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 45.483 35.906 4.411 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 80.614 60.325 24.547 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 80.627 60.826 25.363 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 80.747 60.980 23.862 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 41.766 41.662 55.021 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 41.090 41.876 54.378 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 42.551 41.499 54.499 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 31.754 87.622 65.836 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 32.332 88.371 65.686 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 32.295 86.858 65.633 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 62.239 63.799 54.564 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 61.828 63.790 55.428 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 61.508 63.719 53.950 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 69.019 61.314 11.663 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 69.494 60.615 12.112 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 68.096 61.081 11.765 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 88.636 82.409 -16.428 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 88.077 82.447 -15.651 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 89.528 82.420 -16.082 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 77.261 14.307 63.497 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 77.610 13.727 62.820 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 77.240 13.768 64.288 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 24.781 16.128 -14.429 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 25.280 16.838 -14.024 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 24.952 16.219 -15.366 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 39.520 36.818 52.563 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 40.452 37.006 52.456 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 39.245 36.476 51.712 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 66.833 33.147 47.683 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 66.298 32.989 46.906 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 66.878 34.101 47.753 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 39.703 17.196 59.402 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 40.606 17.416 59.629 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 39.281 17.017 60.242 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 30.526 19.294 59.013 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 31.181 18.605 58.898 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 29.717 18.917 58.668 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 30.591 62.644 -6.050 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 30.911 63.440 -5.626 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 29.645 62.772 -6.120 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 40.203 92.846 -8.669 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 39.757 93.581 -9.089 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 39.495 92.284 -8.354 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 90.073 16.670 1.767 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 90.060 15.963 1.121 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 89.280 17.175 1.585 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 46.279 22.016 32.682 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 46.950 21.571 33.200 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 46.707 22.207 31.848 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 87.906 92.378 -13.273 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 87.511 92.176 -14.122 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 87.735 93.311 -13.145 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 45.910 6.911 15.871 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 45.478 7.729 15.625 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 45.327 6.518 16.521 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 37.277 27.632 33.381 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 37.771 27.565 34.198 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 37.876 27.301 32.711 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 63.164 73.890 53.337 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 62.484 74.550 53.468 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 63.986 74.377 53.391 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 88.572 59.415 45.247 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 88.286 59.602 46.141 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 89.387 58.925 45.353 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 82.470 11.993 56.902 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 82.854 12.792 56.541 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 83.142 11.650 57.493 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 84.524 58.689 20.431 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 83.619 58.646 20.123 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 84.875 59.485 20.032 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 67.153 23.160 -3.532 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 67.930 22.642 -3.319 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 66.634 23.155 -2.727 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 22.671 22.850 48.639 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 21.942 23.368 48.297 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 23.301 23.500 48.950 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 27.105 68.345 34.715 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 27.905 68.088 34.258 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 26.501 68.602 34.018 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 58.478 19.746 50.117 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 59.227 19.550 49.555 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 58.390 20.699 50.075 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 25.518 53.717 34.211 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 25.627 53.070 33.513 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 24.571 53.771 34.342 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 57.671 17.968 35.855 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 58.437 18.297 36.325 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 57.991 17.789 34.970 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 88.340 65.772 -12.746 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 87.642 65.803 -12.092 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 89.000 65.193 -12.366 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 27.436 74.912 -0.208 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 26.861 74.445 0.398 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 28.006 75.434 0.356 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 84.117 11.201 59.028 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 84.724 11.731 59.544 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 84.077 10.364 59.491 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 89.706 78.955 -8.819 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 90.600 79.059 -9.145 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 89.801 78.447 -8.014 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 64.615 23.963 34.379 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 65.155 23.426 34.959 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 64.265 24.651 34.945 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 64.806 86.613 57.752 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 65.337 86.133 57.117 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 65.366 87.335 58.037 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 81.858 89.215 60.665 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 81.580 89.450 59.780 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 81.823 88.258 60.681 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 20.286 89.296 54.346 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 20.311 90.039 54.949 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 21.020 89.446 53.750 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 23.646 65.769 -3.624 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 23.442 66.009 -4.528 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 23.992 64.878 -3.685 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 37.595 19.972 -18.311 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 37.874 20.704 -17.761 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 38.336 19.366 -18.298 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 83.881 23.850 -3.893 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 84.568 23.928 -3.231 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 83.087 23.657 -3.394 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 55.138 36.176 5.248 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 54.470 36.373 5.905 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 54.724 35.535 4.670 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 22.063 6.650 -3.248 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 22.953 6.389 -3.486 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 21.739 7.124 -4.014 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 87.134 3.201 12.420 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 88.072 3.264 12.238 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 87.055 2.455 13.015 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 27.060 31.254 42.673 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 27.352 30.804 41.880 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 27.631 30.916 43.364 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 77.709 50.215 43.367 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 77.066 49.519 43.501 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 77.749 50.324 42.416 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 37.479 85.660 -18.973 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 38.049 84.926 -18.744 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 37.625 85.793 -19.909 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 69.078 7.420 58.681 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 69.654 7.633 59.415 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 69.052 6.463 58.666 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 73.127 56.335 -15.144 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 73.489 57.097 -15.596 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 73.870 55.963 -14.668 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 58.873 15.581 63.364 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 58.081 15.172 63.715 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 59.291 14.891 62.848 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 59.941 79.098 -13.660 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 59.590 79.345 -12.804 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 60.829 79.454 -13.667 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 85.502 70.281 41.909 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 86.399 70.347 41.581 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 85.263 69.365 41.771 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 56.393 53.649 0.070 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 56.852 53.477 0.892 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 55.853 54.418 0.253 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 69.255 41.035 19.774 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 69.051 41.718 20.412 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 69.540 41.512 18.994 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 63.951 88.998 -0.606 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 64.175 89.928 -0.650 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 64.593 88.570 -1.172 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 74.292 85.360 -2.186 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 74.561 85.236 -3.096 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 73.466 84.882 -2.112 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 58.178 2.732 54.751 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 59.042 3.093 54.950 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 58.307 1.784 54.758 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 84.537 5.345 53.195 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 84.693 6.126 52.663 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 84.170 5.680 54.012 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 84.561 93.332 46.768 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 84.913 93.071 47.620 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 83.714 93.729 46.969 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 48.137 85.506 47.768 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 48.725 86.092 48.245 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 47.748 84.953 48.445 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 36.565 65.099 36.759 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 36.601 65.330 35.831 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 37.347 65.501 37.138 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 40.915 6.774 -19.664 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 41.800 6.710 -20.023 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 40.675 5.871 -19.456 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 46.465 26.555 64.884 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 47.165 26.750 65.507 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 46.592 27.186 64.175 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 47.390 37.936 31.000 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 47.595 37.446 30.203 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 47.834 37.456 31.698 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 72.091 85.118 -0.095 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 71.800 85.532 0.718 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 72.183 85.843 -0.714 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 67.124 50.698 -9.984 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 66.432 51.264 -9.642 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 67.937 51.153 -9.764 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 29.787 34.828 2.319 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 30.264 34.741 1.493 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 29.699 35.773 2.446 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 73.413 54.238 -1.943 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 73.328 55.051 -1.446 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 72.821 53.626 -1.505 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 68.054 23.926 47.318 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 68.423 23.856 48.199 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 68.682 24.465 46.837 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 87.268 15.286 62.185 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 87.840 15.738 61.565 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 87.462 14.357 62.056 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 54.949 84.946 62.294 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 54.623 84.652 61.444 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 54.554 85.808 62.418 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 75.278 73.459 42.891 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 76.152 73.156 43.141 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 75.388 73.807 42.006 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 74.296 32.272 -0.878 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 73.838 33.099 -0.727 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 74.109 32.058 -1.792 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 29.688 6.653 -5.245 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 28.900 6.647 -5.788 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 29.558 7.383 -4.640 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 44.218 18.040 48.906 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 43.559 18.675 48.629 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 43.851 17.641 49.694 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 35.508 93.744 16.151 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 34.718 94.284 16.183 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 36.228 94.363 16.271 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 30.641 32.049 -15.886 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 31.558 32.312 -15.960 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 30.314 32.530 -15.126 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 70.343 83.835 -12.972 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 70.561 83.334 -13.758 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 71.185 84.159 -12.653 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 27.632 71.002 13.582 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 28.180 71.416 14.249 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 28.038 70.148 13.434 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 75.822 22.744 61.687 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 76.715 22.948 61.963 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 75.269 23.092 62.386 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 36.287 31.289 46.046 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 35.917 31.978 46.599 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 37.230 31.448 46.063 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 35.460 30.029 49.697 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 35.102 29.144 49.629 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 36.236 29.933 50.250 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 73.279 61.975 19.858 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 73.264 61.070 19.547 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 72.536 62.036 20.457 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 42.152 3.281 65.615 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 42.396 2.446 65.214 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 42.057 3.883 64.877 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 41.053 25.602 64.654 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 41.471 26.438 64.860 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 40.321 25.541 65.268 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 39.269 93.925 24.433 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 39.830 94.414 25.034 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 38.433 93.848 24.894 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 57.408 36.418 -8.214 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 57.102 37.325 -8.210 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 58.263 36.451 -7.783 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 78.810 33.822 43.671 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 79.736 33.843 43.428 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 78.342 33.952 42.847 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 37.735 35.508 19.000 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 38.286 35.940 19.653 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 38.316 35.366 18.253 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 87.365 70.229 23.161 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 87.401 70.340 22.211 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 87.324 69.281 23.290 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 67.086 92.152 60.156 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 66.613 91.689 60.847 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 66.479 92.165 59.416 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 74.440 40.023 57.494 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 74.523 39.435 56.744 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 73.772 40.657 57.230 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 49.564 51.281 60.644 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 48.907 51.155 61.330 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 49.059 51.541 59.874 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 75.100 6.898 -10.511 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 75.720 7.563 -10.214 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 75.649 6.202 -10.873 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 46.042 0.003 -10.335 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 46.134 -0.173 -9.399 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 45.188 0.427 -10.417 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 64.077 39.041 54.493 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 63.195 38.774 54.753 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 64.629 38.289 54.705 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 29.367 47.052 5.485 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 29.047 46.161 5.342 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 29.893 46.992 6.283 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 42.734 85.886 46.476 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 42.710 86.842 46.513 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 41.820 85.619 46.576 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 33.344 40.403 57.471 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 32.785 39.976 58.120 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 32.980 41.283 57.381 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 35.487 36.769 37.758 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 34.666 37.167 37.470 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 36.165 37.240 37.273 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 73.161 54.393 42.403 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 73.004 54.755 41.531 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 72.372 53.885 42.597 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 89.722 33.775 51.954 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 90.249 34.041 51.201 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 88.849 34.121 51.771 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 83.321 0.519 46.045 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 83.247 0.412 45.097 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 83.030 -0.318 46.405 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 60.767 70.801 52.374 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 61.532 70.537 51.864 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 60.071 70.211 52.086 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 34.436 59.919 28.031 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 34.415 60.723 27.513 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 35.327 59.881 28.379 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 20.877 89.414 49.798 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 20.371 89.160 49.025 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 20.217 89.593 50.468 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 87.323 49.947 52.367 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 87.444 49.982 51.418 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 87.481 50.843 52.662 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 36.206 34.642 2.532 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 36.356 35.584 2.451 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 35.474 34.567 3.144 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 72.834 30.187 56.411 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 72.937 29.406 55.867 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 72.866 30.916 55.791 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 27.412 25.021 -16.062 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 26.898 25.805 -15.871 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 27.857 24.819 -15.239 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 90.201 60.762 58.223 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 91.089 61.096 58.095 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 89.634 61.442 57.858 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 33.773 6.542 -17.251 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 33.005 6.751 -16.720 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 33.416 6.121 -18.033 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 62.675 44.386 44.289 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 62.578 43.497 43.947 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 63.288 44.809 43.689 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 85.164 20.748 53.558 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 85.966 20.368 53.916 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 84.466 20.170 53.867 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 59.472 1.517 29.660 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 58.718 1.799 30.177 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 59.734 2.298 29.172 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 29.804 20.880 1.085 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 30.245 20.371 1.765 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 29.243 21.488 1.566 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 80.239 40.986 47.019 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 79.800 41.781 46.717 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 80.767 40.705 46.271 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 70.344 23.178 -12.061 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 70.812 24.005 -11.947 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 70.786 22.751 -12.794 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 21.358 55.226 7.700 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 20.842 55.631 7.003 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 22.050 55.860 7.886 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 36.936 75.292 16.986 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 37.150 75.018 17.878 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 36.272 75.973 17.098 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 73.515 82.497 -6.861 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 73.842 83.393 -6.780 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 74.198 81.955 -6.465 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 75.768 26.421 63.318 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 75.878 25.515 63.605 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 75.916 26.942 64.108 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 88.543 49.410 -19.269 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 88.456 48.846 -18.501 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 87.681 49.384 -19.685 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 56.210 18.221 65.291 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 56.607 19.091 65.246 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 55.684 18.156 64.495 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 69.330 21.843 11.870 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 69.451 21.220 12.587 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 68.382 21.953 11.805 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 42.597 49.472 65.161 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 43.272 50.066 65.488 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 41.955 50.047 64.742 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 71.225 7.775 5.128 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 70.826 7.380 5.903 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 72.064 7.324 5.033 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 26.006 50.465 -14.418 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 26.771 50.998 -14.633 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 25.424 51.061 -13.946 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 76.274 74.432 -14.315 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 75.415 74.093 -14.063 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 76.881 74.038 -13.687 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 72.498 38.881 63.381 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 71.641 38.705 63.770 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 72.338 38.883 62.438 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 28.653 89.279 11.673 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 29.139 88.849 10.970 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 28.597 88.619 12.365 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 66.843 63.992 48.551 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 67.020 63.141 48.150 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 66.335 64.466 47.893 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 79.425 67.601 30.370 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 79.370 66.647 30.327 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 78.549 67.903 30.129 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 59.123 69.543 32.273 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 58.292 69.305 31.863 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 58.958 69.464 33.213 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 86.519 8.899 -11.993 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 87.227 8.263 -11.893 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 85.732 8.366 -12.110 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 38.787 40.400 61.060 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 38.573 39.848 60.308 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 39.611 40.044 61.393 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 48.510 49.713 65.917 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 48.453 49.863 64.973 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 49.449 49.712 66.103 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 59.546 9.684 35.864 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 59.823 10.110 36.676 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 60.189 9.966 35.214 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 53.724 79.305 38.593 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 53.303 79.784 37.878 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 54.485 78.890 38.187 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 36.104 42.239 -17.254 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 36.145 43.093 -17.685 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 36.428 42.402 -16.368 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 89.908 39.708 45.185 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 89.874 40.315 45.924 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 90.644 39.129 45.384 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 60.733 89.167 32.772 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 61.642 89.467 32.767 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 60.215 89.972 32.797 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 58.090 75.638 61.280 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 58.847 75.999 60.819 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 58.093 74.708 61.054 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 90.050 85.366 43.435 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 89.758 86.090 42.881 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 91.006 85.408 43.400 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 70.760 7.327 34.130 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 71.242 6.734 34.706 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 70.864 8.190 34.531 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 28.009 59.057 -17.554 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 28.214 58.886 -16.635 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 27.516 58.287 -17.837 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 67.488 87.779 19.891 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 67.233 88.504 19.322 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 66.894 87.841 20.640 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 71.367 50.910 28.522 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 71.185 50.266 29.207 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 70.696 50.749 27.858 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 54.927 63.298 65.127 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 54.299 62.599 64.944 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 54.548 64.075 64.717 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 80.277 46.926 58.144 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 80.470 47.488 58.895 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 79.354 47.088 57.953 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 74.565 54.403 -7.254 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 75.335 54.151 -6.746 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 73.864 53.842 -6.923 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 33.684 7.266 32.069 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 33.004 7.206 31.398 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 33.252 7.686 32.812 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 74.615 51.411 -18.053 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 73.879 50.803 -17.995 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 74.489 52.011 -17.318 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 20.306 8.710 65.782 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 20.315 9.316 66.523 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 20.902 8.007 66.040 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 23.258 26.108 2.460 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 22.833 26.519 3.213 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 23.614 26.840 1.957 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 71.275 61.335 40.428 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 70.486 61.816 40.178 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 71.049 60.918 41.259 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 39.487 72.462 54.416 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 39.567 72.102 53.533 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 40.388 72.525 54.733 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 33.916 43.412 53.623 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 34.244 44.307 53.719 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 34.101 43.186 52.711 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 75.381 49.214 64.088 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 75.717 49.548 63.256 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 75.216 49.998 64.611 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 46.482 96.571 21.126 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 45.721 96.164 20.712 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 46.111 97.182 21.762 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 79.168 3.642 60.251 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 78.606 4.416 60.284 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 78.567 2.905 60.354 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 89.294 69.137 61.549 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 89.903 68.694 62.140 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 88.671 69.574 62.129 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 45.599 64.381 57.436 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 45.471 64.281 56.493 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 46.292 65.037 57.516 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 29.540 95.974 46.793 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 29.370 96.780 47.280 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 30.464 95.785 46.957 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 72.146 82.956 41.967 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 71.344 82.659 42.398 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 72.736 83.181 42.686 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 71.943 37.774 60.046 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 71.290 37.118 60.290 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 72.202 37.536 59.156 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 60.808 56.472 -19.296 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 60.725 57.126 -18.602 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 61.059 56.976 -20.071 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 40.546 68.446 16.376 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 40.824 67.926 17.130 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 40.313 67.799 15.710 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 61.478 47.587 -18.306 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 61.530 48.531 -18.458 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 60.944 47.500 -17.516 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 60.507 22.361 66.413 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 59.589 22.222 66.645 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 60.929 21.520 66.586 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 67.945 53.055 -13.416 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 67.938 53.838 -13.966 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 68.589 52.479 -13.827 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 75.073 78.311 47.563 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 75.465 78.488 46.708 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 74.355 77.707 47.378 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 40.222 41.015 15.550 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 40.721 41.795 15.796 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 40.884 40.334 15.433 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 66.344 26.442 58.337 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 66.504 26.030 57.487 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 66.684 25.815 58.975 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 23.012 87.825 32.287 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 22.793 87.575 33.185 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 23.445 87.053 31.923 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 26.785 56.477 43.099 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 27.394 56.836 42.453 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 25.929 56.813 42.835 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 74.797 56.035 4.226 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 74.172 56.479 4.800 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 74.384 55.195 4.025 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 59.105 95.920 39.897 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 58.823 96.758 40.265 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 60.055 95.914 40.012 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 73.154 62.528 62.209 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 73.488 62.207 61.371 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 72.446 61.924 62.433 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 71.770 11.200 -7.805 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 72.521 10.863 -7.317 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 71.485 11.967 -7.307 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 86.303 66.893 21.103 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 86.077 66.103 20.612 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 86.926 67.354 20.542 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 35.316 22.545 7.741 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 34.462 22.117 7.797 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 35.313 22.977 6.887 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 86.573 24.104 41.463 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 86.840 24.966 41.781 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 86.623 23.538 42.234 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 31.468 19.545 37.783 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 31.117 20.419 37.608 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 30.763 19.091 38.244 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 55.062 19.730 6.636 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 55.437 19.446 5.802 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 54.216 19.284 6.682 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 38.539 59.828 65.573 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 38.205 59.251 66.259 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 39.438 60.023 65.840 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 32.867 65.943 23.125 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 33.532 66.630 23.083 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 33.362 65.140 23.291 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 46.621 12.810 54.469 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 47.422 12.610 53.985 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 46.887 13.466 55.113 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 58.311 20.094 -12.938 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 58.046 20.812 -13.512 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 58.651 20.525 -12.154 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 84.819 23.039 1.485 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 84.486 23.932 1.569 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 85.661 23.138 1.040 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 65.574 12.343 -15.509 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 64.974 12.198 -14.777 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 66.249 12.922 -15.155 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 76.491 23.833 45.740 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 76.361 22.908 45.531 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 75.618 24.220 45.671 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 60.024 80.241 -7.989 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 60.773 80.327 -7.399 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 59.288 80.605 -7.498 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 41.421 50.721 16.795 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 42.020 51.390 16.464 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 41.648 50.632 17.721 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 64.003 4.230 56.953 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 64.531 4.947 56.601 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 64.567 3.461 56.885 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 41.474 25.824 43.036 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 42.256 25.393 42.693 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 41.680 26.758 43.002 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 24.011 62.499 11.143 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 24.791 62.931 11.490 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 23.486 63.210 10.775 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 74.664 85.002 36.529 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 73.736 84.770 36.516 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 74.786 85.549 35.753 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 25.298 94.485 -17.071 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 25.384 93.745 -17.672 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 24.767 94.149 -16.349 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 80.747 83.252 -3.538 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 80.288 82.901 -4.302 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 81.278 82.521 -3.221 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 89.490 46.763 44.129 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 88.763 46.512 43.560 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 89.495 46.099 44.818 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 90.254 72.600 -3.352 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 90.798 71.886 -3.020 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 90.776 73.388 -3.202 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 67.881 20.637 8.307 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 68.173 21.245 8.987 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 67.012 20.357 8.593 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 82.158 59.971 -9.005 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 81.833 59.076 -9.100 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 81.534 60.392 -8.413 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 43.909 45.244 13.641 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 43.974 45.902 14.332 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 43.899 44.407 14.106 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 40.809 72.982 13.147 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 40.464 72.317 13.742 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 41.534 73.381 13.627 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 90.015 5.848 49.888 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 89.769 4.924 49.830 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 89.657 6.242 49.093 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 61.473 12.648 59.523 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 62.418 12.625 59.672 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 61.167 11.780 59.786 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 79.729 63.438 33.074 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 79.056 62.757 33.076 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 80.023 63.481 32.164 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 30.048 55.103 13.717 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 30.814 55.066 14.291 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 30.101 54.302 13.195 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 21.335 65.472 38.984 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 22.008 65.823 39.567 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 21.615 65.736 38.107 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 41.254 15.566 11.742 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 41.268 14.612 11.669 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 42.061 15.784 12.208 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 60.245 38.334 40.590 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 59.493 37.957 40.135 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 60.469 39.112 40.080 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 37.591 13.579 43.958 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 38.276 13.540 44.625 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 36.992 14.259 44.267 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 29.969 66.980 44.193 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 30.498 66.191 44.310 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 29.127 66.659 43.869 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 22.047 1.465 34.748 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 21.247 1.304 34.248 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 21.758 1.499 35.660 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 79.898 46.538 45.264 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 79.759 47.046 46.064 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 79.120 45.985 45.193 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 23.961 68.154 42.959 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 24.132 68.774 43.668 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 24.245 67.308 43.306 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 65.937 96.515 11.308 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 65.593 96.272 10.449 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 66.545 95.810 11.531 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 46.026 76.768 -11.853 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 45.260 76.999 -12.378 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 46.209 75.857 -12.082 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 82.058 25.205 39.503 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 82.749 25.553 40.067 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 81.652 24.511 40.022 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 47.735 42.917 5.128 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 48.578 43.131 5.528 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 47.197 42.603 5.855 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 65.549 23.614 -9.748 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 65.102 22.973 -10.299 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 66.290 23.135 -9.375 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 66.987 12.456 41.947 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 67.808 12.837 42.259 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 66.811 11.737 42.553 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 81.652 18.587 48.359 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 80.842 19.096 48.378 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 81.501 17.871 48.976 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 24.321 64.988 -13.136 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 24.726 65.762 -13.528 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 23.589 64.781 -13.717 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 70.036 38.713 51.445 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 69.114 38.675 51.698 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 70.135 39.569 51.028 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 42.142 80.289 -8.165 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 42.586 79.792 -7.477 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 41.758 79.621 -8.733 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 58.274 25.284 21.333 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 58.503 25.596 22.209 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 57.827 26.025 20.924 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 62.721 91.665 28.607 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 62.279 92.080 29.348 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 62.659 92.308 27.901 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 21.967 68.815 9.226 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 22.475 69.609 9.390 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 22.021 68.687 8.279 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 45.049 14.927 21.212 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 45.782 15.487 20.953 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 44.269 15.416 20.950 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 45.944 50.077 62.567 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 45.114 50.525 62.402 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 45.693 49.250 62.978 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 63.341 8.485 -5.929 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 63.926 9.199 -6.183 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 63.871 7.694 -6.028 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 64.269 32.451 24.910 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 64.080 31.641 24.437 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 65.215 32.568 24.817 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 68.737 35.036 27.808 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 69.440 35.593 28.143 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 68.887 35.004 26.863 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 32.858 60.204 -2.044 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 33.566 60.114 -1.407 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 32.121 59.737 -1.651 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 58.109 34.597 25.506 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 58.900 34.338 25.034 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 57.627 35.143 24.886 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 80.447 66.403 15.718 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 80.942 65.611 15.927 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 79.622 66.080 15.355 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 50.179 14.312 30.043 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 49.518 14.991 29.907 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 50.393 14.007 29.162 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 50.559 31.817 -15.749 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 50.660 32.744 -15.531 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 50.191 31.424 -14.958 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 37.321 43.632 37.922 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 37.148 44.000 38.789 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 37.496 42.705 38.085 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 76.608 28.079 12.789 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 76.759 28.838 12.226 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 76.250 28.447 13.597 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 52.907 31.129 6.668 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 52.319 31.850 6.442 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 52.959 31.153 7.624 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 83.129 30.553 20.369 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 82.322 31.008 20.608 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 83.776 30.862 21.003 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 89.108 34.466 33.223 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 89.724 34.118 32.578 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 88.890 35.340 32.900 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 79.092 67.085 -14.744 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 79.231 66.368 -14.125 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 79.526 66.797 -15.547 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 60.027 59.079 54.754 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 60.274 58.229 54.392 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 60.540 59.713 54.252 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 71.181 11.390 60.909 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 71.629 11.425 60.064 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 71.882 11.470 61.556 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 27.704 93.720 58.635 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 27.338 94.194 57.889 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 27.823 94.389 59.309 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 24.385 91.978 16.916 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 24.511 91.049 16.723 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 24.950 92.146 17.670 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 74.504 85.190 -7.298 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 74.979 85.803 -7.859 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 74.251 85.709 -6.535 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 51.477 48.911 55.920 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 52.193 49.495 56.168 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 50.828 49.017 56.616 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 24.866 30.297 29.977 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 25.439 29.850 29.354 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 24.602 31.099 29.527 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 31.563 84.835 58.433 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 31.245 85.569 57.907 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 32.220 85.221 59.012 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 84.914 92.744 -8.689 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 84.067 92.525 -9.078 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 84.908 92.304 -7.839 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 30.599 87.118 9.316 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 29.907 86.522 9.602 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 30.754 87.685 10.071 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 83.166 68.494 3.435 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 83.740 69.120 2.993 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 83.760 67.829 3.784 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 42.399 60.330 -9.110 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 42.614 60.474 -8.189 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 41.967 59.475 -9.125 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 49.462 42.697 43.086 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 50.247 42.164 43.213 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 49.334 43.140 43.924 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 34.666 46.443 60.824 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 34.818 46.833 61.685 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 35.480 45.982 60.623 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 37.390 36.951 7.676 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 36.480 37.124 7.921 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 37.859 37.750 7.917 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 83.234 6.211 61.419 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 82.863 5.391 61.093 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 83.401 6.047 62.347 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 27.098 33.688 35.162 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 27.887 34.210 35.310 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 26.385 34.327 35.154 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 42.673 1.191 44.668 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 42.278 2.025 44.921 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 42.920 1.311 43.751 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 66.813 23.096 51.018 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 66.812 24.037 51.189 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 66.240 22.989 50.259 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 58.550 30.501 61.893 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 57.966 29.779 61.662 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 58.098 31.285 61.581 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 32.095 17.972 31.166 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 31.867 18.839 31.502 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 32.592 18.148 30.367 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 21.216 48.382 53.064 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 21.711 48.129 52.285 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 21.843 48.306 53.782 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 55.299 34.423 -9.422 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 55.155 35.010 -10.164 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 55.471 35.006 -8.683 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 39.972 22.542 60.286 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 39.870 22.932 61.154 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 40.783 22.038 60.343 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 27.145 43.644 52.888 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 27.005 43.091 53.657 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 26.618 44.425 53.054 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 59.378 91.870 7.611 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 58.684 91.460 8.127 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 59.368 91.399 6.778 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 68.277 92.209 37.579 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 67.701 92.666 36.967 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 69.156 92.514 37.354 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 65.621 44.939 2.816 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 65.005 44.717 3.514 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 65.079 45.347 2.140 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 49.113 2.617 60.860 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 50.036 2.473 60.651 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 48.662 2.538 60.019 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 38.690 84.992 0.746 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 38.874 85.930 0.803 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 38.163 84.899 -0.048 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 42.895 26.645 -1.497 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 42.419 26.869 -2.296 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 43.445 25.902 -1.746 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 28.450 91.946 41.512 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 27.850 92.141 42.232 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 27.895 91.555 40.837 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 72.795 69.910 -12.913 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 72.098 69.988 -12.261 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 73.489 69.426 -12.465 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 27.791 76.530 2.347 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 27.472 76.765 3.219 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 28.729 76.385 2.466 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 37.199 24.819 33.841 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 36.828 25.494 34.410 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 37.613 25.307 33.129 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 69.538 34.726 51.902 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 69.837 35.469 51.377 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 68.672 34.518 51.552 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 77.821 9.927 -2.843 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 77.543 10.368 -2.041 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 77.701 10.581 -3.531 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 52.292 2.111 28.795 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 51.685 2.535 29.402 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 51.809 2.057 27.971 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 81.837 73.370 59.381 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 81.918 73.826 60.219 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 82.604 73.649 58.881 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 38.271 39.428 14.370 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 38.534 38.615 14.802 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 38.860 40.091 14.728 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 55.932 24.000 24.274 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 55.944 24.954 24.360 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 55.302 23.708 24.932 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 66.508 67.765 -12.446 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 66.307 66.909 -12.825 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 65.687 68.252 -12.507 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 80.554 87.382 15.043 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 80.927 86.649 14.554 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 81.019 87.375 15.879 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 57.695 24.346 -3.769 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 56.771 24.583 -3.695 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 58.082 24.626 -2.939 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 67.904 14.119 -9.414 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 68.276 14.657 -8.715 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 66.991 14.399 -9.472 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 65.474 40.789 55.877 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 64.698 40.487 55.405 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 66.136 40.120 55.704 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 59.095 47.203 -13.526 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 59.655 47.366 -12.767 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 58.307 47.721 -13.360 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 64.454 92.332 41.211 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 64.214 91.442 40.953 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 65.341 92.449 40.871 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 69.443 50.336 -19.323 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 69.909 50.638 -18.543 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 68.835 51.046 -19.529 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 47.794 37.293 46.409 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 48.105 36.412 46.202 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 47.158 37.163 47.112 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 50.121 10.012 10.026 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 49.926 10.429 10.865 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 50.008 9.076 10.191 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 35.493 35.902 -1.746 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 36.410 35.630 -1.700 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 35.528 36.822 -2.007 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 61.375 67.720 -5.377 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 60.654 67.544 -4.773 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 61.951 66.960 -5.291 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 76.507 33.936 27.590 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 76.024 34.705 27.287 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 75.953 33.558 28.272 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 31.480 71.521 56.419 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 31.780 72.337 56.819 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 30.741 71.782 55.869 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 57.226 48.650 47.028 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 56.885 48.183 47.790 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 57.874 48.055 46.652 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 72.375 16.257 53.522 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 71.480 16.596 53.533 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 72.919 17.005 53.768 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 59.433 61.874 -4.104 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 59.621 62.604 -3.514 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 58.665 62.159 -4.600 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 31.583 64.096 2.347 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 32.132 63.359 2.080 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 31.371 63.917 3.263 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 43.228 0.820 55.288 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 43.978 0.552 54.759 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 43.509 1.631 55.712 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 87.779 91.210 7.648 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 88.077 92.098 7.847 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 87.838 90.745 8.482 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 25.334 18.359 0.886 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 24.729 18.797 0.288 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 26.195 18.709 0.657 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 65.022 26.087 36.028 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 65.296 26.413 36.885 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 65.840 25.963 35.546 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 72.413 96.302 37.553 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 72.203 97.096 38.046 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 72.186 95.585 38.145 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 74.992 67.251 -7.677 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 75.725 67.707 -8.092 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 74.439 66.972 -8.406 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 72.877 63.070 16.984 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 72.262 62.470 16.563 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 73.173 62.602 17.765 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 67.829 77.592 14.827 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 68.781 77.669 14.899 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 67.689 77.084 14.027 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 72.389 83.316 65.965 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 71.750 83.654 66.591 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 71.938 82.593 65.528 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 70.386 78.391 23.289 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 70.010 77.780 22.655 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 71.151 77.935 23.638 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 68.635 81.631 10.006 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 68.313 81.983 10.836 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 69.073 82.371 9.585 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 44.842 35.055 9.851 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 44.526 34.837 10.728 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 45.589 35.634 10.002 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 31.306 28.591 0.339 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 30.985 28.197 -0.472 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 31.343 27.864 0.961 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 74.733 32.047 57.567 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 75.053 31.833 58.443 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 73.994 31.454 57.430 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 80.382 23.794 32.984 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 81.312 23.800 32.757 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 80.190 24.699 33.231 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 41.672 26.089 -10.595 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 41.454 25.645 -11.415 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 42.626 26.026 -10.534 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 61.138 56.471 0.490 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 61.346 57.231 -0.054 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 60.207 56.569 0.692 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 57.320 17.524 32.816 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 57.610 16.671 32.492 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 56.465 17.658 32.405 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 73.793 45.718 -0.244 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 74.457 46.189 0.259 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 73.187 46.399 -0.538 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 80.027 21.321 -5.436 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 80.548 21.289 -4.634 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 79.125 21.423 -5.132 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 39.573 23.583 3.473 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 39.725 24.526 3.415 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 40.421 23.190 3.268 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 62.866 27.082 -12.006 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 63.511 26.746 -12.628 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 62.772 28.007 -12.234 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 80.855 77.643 25.009 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 81.744 77.420 25.284 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 80.342 76.857 25.195 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 37.430 79.186 58.406 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 37.466 78.231 58.447 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 36.499 79.387 58.313 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 36.572 80.082 31.564 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 36.988 80.216 32.416 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 36.769 79.172 31.342 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 24.182 15.745 52.843 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 23.345 15.524 52.435 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 24.802 15.115 52.477 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 49.012 95.851 62.271 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 48.345 96.052 62.926 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 49.379 96.703 62.033 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 59.274 21.560 -10.699 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 60.108 21.968 -10.935 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 59.267 21.565 -9.742 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 68.557 61.908 26.757 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 68.544 62.471 25.983 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 67.638 61.836 27.017 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 82.335 52.827 30.991 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 82.727 53.339 30.283 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 81.524 53.291 31.202 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 59.878 43.792 48.292 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 60.475 44.538 48.351 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 60.375 43.124 47.820 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 20.636 7.873 36.613 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 20.430 8.631 36.067 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 21.592 7.864 36.660 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 75.229 11.098 67.421 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 74.968 11.601 66.650 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 74.973 10.198 67.218 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 31.074 63.816 47.516 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 30.127 63.711 47.429 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 31.343 64.247 46.705 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 29.456 3.430 64.747 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 29.608 4.285 64.344 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 30.310 2.997 64.722 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 42.999 16.742 20.948 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 42.901 17.412 20.271 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 43.360 17.211 21.700 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 34.745 91.004 53.671 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 34.685 91.902 53.994 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 35.620 90.713 53.930 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 48.169 29.717 46.110 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 48.293 30.662 46.017 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 47.219 29.598 46.098 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 80.546 12.258 -19.148 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 79.722 12.250 -19.635 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 80.502 13.052 -18.614 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 29.782 26.250 50.560 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 30.537 25.666 50.635 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 29.182 25.792 49.971 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 84.139 5.662 63.912 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 83.490 5.766 64.608 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 84.705 6.430 63.994 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 57.643 54.448 -4.697 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 56.797 54.878 -4.571 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 57.518 53.566 -4.347 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 44.958 64.526 -12.942 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 45.331 65.036 -13.662 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 44.269 65.087 -12.584 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 69.348 18.904 -2.619 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 70.279 18.996 -2.416 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 68.945 19.696 -2.262 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 49.987 15.076 -1.699 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 50.110 16.024 -1.655 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 50.625 14.722 -1.080 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 49.896 51.487 44.986 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 50.675 51.113 45.396 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 50.238 52.099 44.334 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 85.233 4.181 -3.535 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 85.728 3.836 -4.279 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 85.609 5.048 -3.379 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 64.661 91.537 -10.201 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 63.883 92.028 -10.465 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 65.367 92.183 -10.210 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 70.441 56.966 -8.057 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 71.368 56.741 -8.134 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 70.176 56.608 -7.210 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 89.796 58.680 -3.836 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 90.460 58.075 -3.504 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 89.258 58.888 -3.072 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 48.836 46.240 -4.828 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 48.408 46.925 -4.314 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 49.771 46.418 -4.734 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 55.074 47.072 1.800 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 55.694 47.616 2.285 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 54.731 46.460 2.451 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 41.083 40.306 66.985 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 40.762 41.078 67.451 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 40.718 40.388 66.104 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 44.502 38.490 40.370 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 44.339 39.058 39.617 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 45.054 39.014 40.951 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 32.355 80.892 38.147 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 33.122 81.261 38.586 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 31.631 81.054 38.752 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 51.730 11.752 -11.955 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 51.056 12.383 -11.700 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 51.416 11.387 -12.782 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 50.989 1.507 41.606 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 51.939 1.388 41.573 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 50.635 0.733 41.169 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 54.357 8.176 -13.002 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 55.235 8.068 -12.635 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 54.507 8.470 -13.900 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 76.997 39.200 25.220 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 76.226 39.360 24.675 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 76.640 38.973 26.079 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 79.372 40.487 56.939 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 79.217 40.876 56.078 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 79.586 41.230 57.502 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 77.341 71.305 -0.428 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 77.605 70.700 0.266 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 76.395 71.395 -0.321 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 37.558 54.764 -10.136 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 38.198 55.426 -9.872 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 37.187 54.448 -9.312 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 76.222 46.687 -12.107 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 76.334 46.721 -11.157 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 77.093 46.873 -12.459 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 58.257 23.125 25.847 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 57.465 23.238 25.321 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 58.690 23.978 25.816 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 23.065 89.125 57.186 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 23.204 88.715 56.333 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 22.847 90.035 56.983 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 74.766 56.750 61.367 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 75.254 55.931 61.285 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 73.848 56.482 61.379 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 73.117 84.182 5.821 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 72.253 83.860 5.565 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 73.195 83.950 6.746 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 67.849 57.198 -17.671 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 68.224 56.512 -17.119 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 66.930 56.950 -17.772 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 61.626 44.403 56.413 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 60.981 45.094 56.263 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 61.298 43.930 57.178 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 21.514 10.491 38.702 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 21.162 9.744 39.185 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 22.449 10.303 38.618 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 52.052 14.518 40.853 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 51.444 15.229 41.055 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 51.656 13.743 41.250 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 41.861 82.871 27.193 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 41.639 82.411 28.003 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 42.778 82.648 27.035 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 32.555 96.806 41.001 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 31.739 96.801 41.502 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 32.590 95.942 40.591 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 32.616 5.052 56.569 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 32.206 4.221 56.811 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 33.541 4.936 56.788 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 67.644 36.928 61.379 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 67.352 37.325 62.199 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 67.154 37.392 60.700 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 34.964 26.420 36.092 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 35.076 27.363 35.975 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 34.111 26.230 35.701 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 71.448 50.076 65.609 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 70.525 50.184 65.838 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 71.618 50.764 64.966 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 88.219 61.333 -12.254 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 89.019 60.989 -12.653 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 88.054 62.154 -12.717 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 81.881 25.496 13.323 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 80.976 25.762 13.159 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 82.159 26.036 14.063 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 47.504 27.255 32.377 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 47.765 28.167 32.509 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 48.258 26.849 31.948 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 51.825 25.226 37.790 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 51.435 25.624 38.569 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 51.083 25.056 37.210 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 25.999 60.394 24.917 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 26.001 59.575 24.422 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 26.914 60.676 24.919 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 51.228 49.671 66.309 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 51.210 49.863 67.246 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 52.144 49.790 66.057 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 77.072 88.996 34.111 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 76.590 89.292 33.339 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 77.209 89.790 34.628 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 73.411 70.012 46.703 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 73.908 70.120 45.892 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 74.077 69.864 47.375 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 86.004 34.956 39.301 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 86.903 34.655 39.428 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 86.092 35.871 39.032 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 66.472 5.581 19.228 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 66.311 5.758 20.155 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 66.008 4.762 19.055 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 29.982 12.566 24.280 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 30.071 13.490 24.048 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 30.004 12.105 23.442 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 77.200 86.752 2.672 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 76.615 86.633 1.924 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 77.377 87.692 2.692 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 68.824 64.106 -1.096 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 68.691 64.214 -0.154 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 69.319 63.290 -1.176 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 71.166 43.702 59.208 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 71.008 44.425 58.601 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 71.355 44.128 60.044 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 82.798 17.475 59.777 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 83.623 17.962 59.776 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 82.145 18.109 59.481 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 89.503 28.444 44.374 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 90.168 27.959 44.863 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 89.909 28.621 43.526 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 82.964 43.074 51.187 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 83.070 44.024 51.143 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 82.336 42.871 50.494 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 68.362 41.797 46.679 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 68.573 42.589 46.185 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 67.690 41.360 46.156 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 51.656 18.682 57.231 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 50.844 19.112 57.497 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 52.165 19.371 56.804 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 80.611 19.030 42.147 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 81.030 19.508 42.863 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 79.687 18.989 42.395 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 61.104 50.838 55.215 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 61.080 50.021 54.717 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 61.038 50.565 56.130 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 29.276 30.974 53.046 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 28.346 31.087 52.850 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 29.386 31.356 53.917 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 68.310 25.297 40.783 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 67.408 25.275 41.102 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 68.692 26.071 41.197 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 26.869 37.528 17.966 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 26.767 38.396 17.574 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 27.191 36.979 17.251 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 73.198 56.582 -8.379 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 73.540 55.758 -8.032 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 73.215 57.182 -7.633 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 88.742 68.944 33.926 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 89.661 69.158 33.763 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 88.640 69.029 34.874 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 86.318 13.134 -14.646 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 85.546 13.654 -14.423 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 86.518 12.647 -13.847 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 30.758 39.273 36.682 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 30.568 38.967 37.569 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 30.367 38.611 36.112 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 35.966 47.590 -18.693 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 36.032 46.942 -17.992 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 36.544 48.302 -18.418 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 59.133 62.206 47.748 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 58.831 61.862 48.588 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 58.762 61.611 47.097 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 87.713 51.547 -3.399 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 88.228 50.742 -3.345 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 86.820 51.276 -3.185 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 65.878 58.353 50.268 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 65.527 59.035 49.696 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 65.325 57.590 50.100 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 69.384 88.385 -11.569 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 69.368 89.279 -11.912 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 68.785 87.900 -12.136 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 35.208 59.988 -17.292 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 35.320 59.195 -17.816 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 36.075 60.393 -17.282 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 50.480 35.980 -17.212 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 50.544 35.268 -17.849 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 50.947 35.655 -16.442 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 22.086 46.200 43.751 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 21.493 45.969 44.465 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 21.683 46.967 43.343 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 37.353 94.045 -5.832 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 36.753 94.711 -5.497 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 37.036 93.224 -5.454 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 39.547 30.888 -0.959 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 39.481 30.037 -0.526 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 38.792 30.917 -1.547 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 25.078 11.531 40.730 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 25.727 11.457 41.430 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 24.939 10.630 40.436 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 79.998 28.939 58.379 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 80.062 29.504 57.609 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 80.062 28.049 58.030 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 67.467 1.232 -5.703 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 67.164 2.035 -6.126 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 67.852 0.717 -6.411 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 25.575 78.169 5.312 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 25.196 77.379 4.927 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 26.484 77.933 5.498 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 70.930 36.905 19.578 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 71.290 36.607 18.743 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 70.435 37.694 19.358 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 28.969 50.148 44.213 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 29.694 49.525 44.164 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 28.715 50.293 43.301 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 71.111 2.096 52.711 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 70.562 1.721 52.023 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 72.000 1.819 52.488 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 37.866 67.195 8.172 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 38.658 66.949 8.651 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 37.191 67.269 8.847 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 46.268 7.619 44.114 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 46.226 8.511 44.458 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 47.051 7.243 44.516 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 77.770 42.575 66.942 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 78.030 42.693 66.028 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 76.921 43.011 67.008 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 56.636 95.169 56.574 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 57.408 95.271 56.018 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 56.128 94.473 56.156 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 36.972 28.167 23.717 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 36.338 27.821 24.345 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 36.718 27.776 22.881 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 65.772 43.426 -5.722 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 65.257 43.287 -4.927 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 65.718 44.368 -5.882 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 56.335 79.713 40.885 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 57.187 80.062 40.622 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 56.090 79.119 40.176 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 68.600 52.705 29.090 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 68.115 52.491 28.292 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 68.077 52.328 29.797 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 67.437 57.545 20.594 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 67.665 56.819 21.175 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 66.480 57.553 20.583 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 69.293 5.779 47.664 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 68.511 6.144 48.078 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 69.937 6.486 47.703 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 25.709 37.778 20.489 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 25.791 38.725 20.604 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 25.910 37.632 19.564 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 63.099 88.702 52.950 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 62.687 88.703 52.086 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 63.791 88.044 52.884 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 47.929 34.722 -14.359 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 47.684 34.250 -15.155 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 47.461 34.269 -13.658 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 84.910 65.957 -19.112 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 84.666 65.921 -20.037 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 85.189 66.862 -18.972 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 77.688 54.532 26.288 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 77.212 55.362 26.299 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 77.186 53.976 25.692 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 74.169 21.361 40.588 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 74.055 21.045 39.691 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 75.101 21.244 40.767 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 23.831 3.027 33.236 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 23.334 2.523 33.881 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 23.718 3.938 33.505 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 49.582 35.054 57.643 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 48.671 34.783 57.754 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 49.529 35.974 57.383 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 46.809 35.323 19.991 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 47.522 34.717 19.792 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 47.004 35.644 20.871 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 40.295 59.354 46.103 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 40.885 59.647 45.408 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 39.595 58.889 45.644 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 62.498 48.648 34.626 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 61.989 49.075 35.315 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 62.289 49.140 33.833 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 25.189 48.509 -15.969 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 25.977 48.345 -16.488 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 25.473 49.119 -15.288 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 82.326 9.256 2.094 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 83.008 9.910 1.943 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 82.524 8.555 1.472 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 36.869 50.325 -17.998 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 36.659 51.239 -18.191 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 37.230 50.344 -17.111 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 73.356 54.906 -19.695 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 72.644 54.407 -19.295 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 73.984 55.041 -18.985 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 51.469 63.642 -14.191 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 52.021 64.189 -13.633 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 51.132 64.242 -14.857 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 25.283 93.266 27.810 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 25.355 94.182 27.541 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 24.805 93.297 28.639 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 70.142 68.962 58.884 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 69.987 68.838 57.948 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 69.738 68.198 59.297 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 51.722 90.330 24.891 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 52.381 89.681 25.138 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 51.338 90.610 25.722 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 81.280 91.368 64.198 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 82.005 91.365 63.573 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 81.093 90.442 64.352 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 34.090 31.462 -13.087 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 33.961 32.349 -12.751 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 34.130 30.912 -12.305 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 83.203 24.171 45.494 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 84.033 24.645 45.556 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 82.603 24.791 45.079 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 80.450 73.706 54.874 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 80.554 73.003 54.232 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 80.764 74.490 54.423 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 48.226 6.345 4.537 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 48.329 6.374 3.586 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 48.085 5.420 4.735 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 49.150 37.580 -2.325 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 49.905 37.859 -1.807 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 48.497 37.319 -1.676 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 24.356 56.561 -7.172 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 24.583 57.463 -7.397 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 23.414 56.502 -7.332 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 40.725 79.817 -16.726 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 40.461 80.732 -16.827 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 40.194 79.493 -15.999 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 32.314 17.992 52.114 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 32.496 17.809 51.192 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 31.908 17.190 52.442 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 87.633 57.968 -19.511 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 87.071 57.247 -19.227 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 87.779 57.805 -20.443 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 68.536 3.572 29.225 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 67.720 3.771 29.683 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 68.444 3.999 28.373 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 63.639 75.890 64.449 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 63.703 75.627 63.531 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 64.421 75.521 64.859 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 28.612 27.860 48.164 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 28.669 27.189 47.484 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 29.308 27.636 48.782 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 40.757 72.271 -13.145 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 40.362 72.830 -12.476 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 41.153 71.552 -12.652 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 57.707 60.812 57.797 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 57.002 60.184 57.957 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 58.419 60.287 57.433 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 69.936 58.109 33.886 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 69.598 58.089 32.991 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 69.338 58.691 34.355 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 30.008 34.280 -14.407 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 30.112 34.939 -15.094 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 30.607 34.559 -13.714 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 47.585 16.543 22.224 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 47.882 17.313 22.708 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 47.502 16.845 21.319 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 27.015 5.046 39.033 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 26.600 4.956 38.175 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 27.777 5.604 38.874 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 71.290 87.046 51.973 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 71.154 86.322 51.361 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 72.208 86.974 52.231 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 83.353 77.661 -11.623 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 82.827 78.450 -11.492 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 82.717 76.945 -11.621 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 20.902 81.625 15.010 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 21.707 81.778 15.505 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 20.616 82.498 14.742 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 21.656 14.149 -10.871 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 21.955 14.801 -11.505 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 20.931 14.574 -10.413 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 44.682 11.046 34.522 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 44.852 11.741 33.886 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 45.527 10.610 34.632 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 78.591 84.931 -15.519 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 78.890 84.799 -16.419 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 78.699 85.869 -15.366 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 45.542 82.739 40.756 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 46.290 82.335 41.197 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 45.713 82.605 39.824 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 72.492 30.755 48.676 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 72.062 31.149 49.436 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 71.774 30.532 48.084 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 27.939 21.884 -15.575 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 28.395 21.043 -15.540 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 27.020 21.654 -15.712 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 26.055 95.186 -8.844 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 25.742 96.041 -8.548 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 25.311 94.809 -9.314 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 57.461 75.052 42.418 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 57.896 75.905 42.424 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 56.797 75.125 41.733 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 66.683 81.657 59.817 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 67.490 81.204 59.572 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 66.952 82.279 60.493 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 31.150 46.717 48.135 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 30.652 47.481 48.425 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 32.065 46.993 48.186 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 88.202 18.119 -4.727 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 89.054 18.552 -4.666 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 88.305 17.316 -4.217 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 57.713 79.849 -2.543 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 56.847 79.954 -2.938 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 57.630 80.249 -1.677 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 88.959 59.396 39.179 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 88.897 60.165 39.745 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 88.063 59.065 39.122 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 78.946 62.814 21.607 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 78.117 62.344 21.697 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 79.094 63.207 22.468 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 72.938 50.366 59.284 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 72.248 51.018 59.166 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 72.532 49.680 59.814 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 34.201 40.262 -18.288 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 34.822 40.975 -18.439 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 34.217 40.126 -17.341 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 24.372 43.407 50.559 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 25.292 43.334 50.305 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 24.160 42.555 50.940 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 78.227 95.307 9.488 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 77.929 94.397 9.488 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 78.658 95.418 10.336 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 25.910 44.739 60.353 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 26.089 45.596 60.740 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 24.996 44.787 60.075 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 67.616 64.488 -3.573 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 68.188 64.320 -2.825 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 68.215 64.656 -4.301 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 74.465 19.094 -6.054 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 73.617 19.536 -6.005 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 75.067 19.679 -5.594 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 87.959 78.799 8.344 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 87.005 78.749 8.287 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 88.140 78.880 9.280 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 28.912 93.290 -3.817 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 29.303 92.755 -4.507 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 29.373 94.127 -3.871 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 56.687 52.215 52.819 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 55.913 52.770 52.718 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 57.351 52.625 52.264 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 70.119 4.902 11.944 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 70.329 4.492 11.105 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 70.660 5.691 11.967 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 84.942 53.554 63.196 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 85.509 52.972 63.702 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 85.049 53.266 62.290 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 64.811 11.315 54.037 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 64.495 11.564 54.905 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 65.140 12.130 53.658 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 71.968 5.703 44.135 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 72.736 6.167 44.468 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 71.766 5.056 44.811 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 83.964 95.786 38.314 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 84.822 96.200 38.221 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 84.000 95.348 39.165 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 50.945 29.053 46.131 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 51.122 29.377 45.247 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 50.075 29.394 46.341 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 35.182 87.068 29.854 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 34.880 87.962 30.016 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 36.107 87.079 30.098 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 49.505 86.411 10.654 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 49.191 85.567 10.979 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 49.953 86.805 11.404 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 65.212 93.846 32.824 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 64.786 93.215 33.405 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 64.502 94.412 32.522 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 24.694 13.637 -16.406 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 25.483 13.868 -16.896 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 24.689 14.240 -15.663 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 22.480 47.295 65.944 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 21.700 47.764 66.240 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 22.255 46.984 65.067 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 60.080 20.308 63.245 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 60.296 20.030 64.135 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 59.412 19.686 62.955 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 31.698 88.668 11.289 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 31.757 89.202 12.081 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 32.603 88.426 11.094 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 81.693 1.564 48.763 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 81.975 2.166 48.074 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 81.061 2.067 49.277 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 68.694 90.246 -3.612 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 69.112 89.460 -3.964 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 67.756 90.069 -3.681 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 71.512 6.003 -10.100 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 71.558 5.098 -10.408 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 70.831 6.405 -10.639 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 68.119 27.893 6.488 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 68.329 28.801 6.271 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 67.175 27.897 6.651 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 75.490 33.762 18.412 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 76.178 34.195 18.917 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 75.888 33.596 17.557 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 32.795 61.003 -9.986 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 32.929 61.676 -9.319 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 31.888 61.123 -10.268 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 38.611 30.053 20.104 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 39.221 29.761 20.782 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 39.151 30.144 19.319 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 36.992 94.136 18.872 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 36.331 94.251 19.555 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 37.156 93.194 18.854 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 59.227 96.701 -14.449 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 59.476 97.004 -15.322 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 58.405 96.229 -14.583 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 80.920 93.932 7.555 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 80.798 94.306 8.428 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 81.742 94.311 7.244 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 78.696 9.691 64.744 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 78.418 9.334 63.901 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 78.833 8.921 65.297 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 43.855 82.035 -18.747 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 43.231 82.761 -18.730 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 44.246 82.076 -19.620 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 56.111 36.008 64.141 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 55.500 36.130 63.414 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 55.745 35.279 64.641 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 42.944 45.936 47.286 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 43.061 45.004 47.105 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 43.087 46.365 46.443 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 88.856 50.978 61.348 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 89.795 50.790 61.352 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 88.776 51.792 60.851 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 68.237 73.723 -3.669 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 67.405 73.428 -4.038 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 67.993 74.192 -2.871 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 47.799 40.183 -19.302 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 48.656 39.809 -19.097 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 47.969 41.117 -19.430 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 71.184 34.987 66.988 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 70.865 34.345 67.622 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 72.134 34.984 67.102 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 77.093 45.787 11.401 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 76.543 45.827 12.184 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 76.729 46.453 10.818 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 23.686 22.150 44.333 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 24.504 22.438 44.737 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 23.959 21.690 43.539 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 32.102 54.219 5.853 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 32.437 54.042 6.732 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 32.594 54.985 5.558 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 90.559 26.106 57.094 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 90.960 26.971 57.002 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 90.514 25.962 58.039 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 65.796 76.891 0.013 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 64.909 76.750 -0.317 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 65.734 76.711 0.952 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 40.187 45.723 47.603 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 40.147 45.994 48.521 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 41.092 45.893 47.342 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 81.813 65.166 19.088 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 82.130 66.036 18.845 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 81.376 64.841 18.301 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 80.015 78.382 17.297 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 79.617 77.909 18.028 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 80.374 77.695 16.735 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 78.695 37.889 -16.696 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 78.854 38.086 -15.773 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 78.613 38.746 -17.114 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 24.397 10.081 7.215 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 23.553 9.908 7.633 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 25.037 9.985 7.920 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 27.574 66.598 -12.753 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 26.634 66.529 -12.917 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 27.912 67.097 -13.497 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 31.320 9.526 -19.555 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 30.716 8.794 -19.429 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 31.236 9.748 -20.482 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 57.984 60.966 64.383 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 58.023 60.019 64.254 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 57.859 61.075 65.326 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 40.796 4.492 35.308 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 40.566 3.828 35.958 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 41.306 4.019 34.651 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 39.169 19.313 -5.852 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 39.899 19.475 -5.254 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 39.119 20.103 -6.390 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 61.598 92.434 43.868 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 60.838 92.010 44.267 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 62.250 92.464 44.568 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 49.488 9.269 -20.117 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 50.066 8.509 -20.185 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 48.974 9.109 -19.325 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 66.371 52.223 18.769 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 66.043 52.844 18.119 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 65.880 51.418 18.602 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 64.060 13.215 59.739 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 64.116 14.169 59.680 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 64.343 13.013 60.631 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 31.084 55.583 -15.986 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 31.859 55.021 -15.956 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 31.278 56.223 -16.671 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 73.546 71.907 64.852 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 72.658 71.928 64.496 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 74.016 72.583 64.364 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 71.039 82.285 -17.861 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 71.059 82.878 -18.612 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 71.792 82.546 -17.330 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 20.717 53.509 -17.610 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 21.217 52.716 -17.806 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 19.910 53.415 -18.116 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 87.538 19.468 40.480 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 87.898 20.306 40.190 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 87.487 18.939 39.683 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 64.390 65.295 27.875 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 63.499 65.046 28.118 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 64.362 65.390 26.923 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 67.813 63.089 53.858 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 67.464 63.791 53.308 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 67.157 62.974 54.545 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 77.708 16.855 57.131 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 77.062 16.821 56.425 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 78.472 17.276 56.737 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 35.571 55.393 46.430 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 35.387 55.401 45.491 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 36.448 55.769 46.505 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 53.600 62.500 -7.211 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 54.275 62.977 -6.728 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 52.794 62.987 -7.041 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 90.381 18.916 63.348 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 89.756 18.671 64.030 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 90.519 19.855 63.475 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 87.303 51.350 36.142 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 86.785 51.969 35.626 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 87.440 50.606 35.555 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 42.606 76.269 58.934 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 42.883 75.402 58.637 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 42.947 76.338 59.825 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 89.235 2.505 63.559 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 88.631 3.079 63.088 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 90.104 2.783 63.272 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 72.074 13.162 -19.169 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 71.936 12.517 -18.475 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 71.455 13.865 -18.969 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 29.396 91.887 -6.200 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 29.296 91.329 -6.971 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 28.694 92.534 -6.280 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 62.209 12.961 -4.640 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 62.298 13.893 -4.839 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 62.063 12.931 -3.694 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 58.442 46.061 37.186 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 58.499 45.983 36.234 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 57.559 46.393 37.348 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 24.638 53.892 42.191 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 25.168 53.095 42.185 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 25.070 54.474 41.566 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 74.310 47.550 53.180 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 74.937 48.223 52.914 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 73.645 48.026 53.677 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 80.654 21.880 56.126 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 80.906 21.099 55.634 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 80.017 22.323 55.565 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 28.776 49.245 -10.708 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 28.912 49.633 -9.843 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 27.926 49.582 -10.991 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 63.242 41.681 36.763 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 63.914 41.989 36.155 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 63.479 40.772 36.943 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 51.769 8.860 -14.379 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 51.845 9.794 -14.181 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 52.664 8.527 -14.312 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 83.242 43.607 22.371 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 82.542 42.955 22.343 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 83.357 43.798 23.302 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 72.603 10.257 4.198 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 71.946 9.592 4.403 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 73.206 9.822 3.596 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 22.763 52.458 43.487 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 23.309 52.896 42.834 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 22.900 51.524 43.327 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 22.594 31.524 -2.978 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 23.096 32.338 -2.932 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 22.636 31.268 -3.899 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 32.511 55.211 26.529 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 33.309 54.923 26.086 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 32.823 55.750 27.257 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 66.893 78.389 26.870 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 67.501 77.953 26.273 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 66.063 77.930 26.744 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 77.899 26.018 45.019 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 77.417 25.266 45.363 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 77.382 26.777 45.286 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 39.509 37.060 15.639 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 39.636 36.317 16.230 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 40.045 37.759 16.014 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 71.513 47.139 40.416 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 71.163 46.309 40.739 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 71.496 47.053 39.463 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 87.500 66.718 39.253 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 87.644 66.799 38.311 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 88.287 66.281 39.580 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 42.696 88.066 -18.504 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 43.049 87.181 -18.592 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 42.422 88.304 -19.390 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 21.910 6.338 43.017 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 22.210 6.856 43.764 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 22.590 6.456 42.354 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 89.833 66.370 21.346 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 89.084 66.916 21.584 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 90.028 66.611 20.440 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 88.699 48.337 53.875 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 88.194 49.029 53.448 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 89.550 48.357 53.437 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 39.080 25.980 -16.966 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 39.132 25.234 -16.368 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 38.770 26.703 -16.421 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 26.066 68.068 53.718 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 25.672 67.676 52.938 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 26.826 68.547 53.387 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 89.449 64.620 50.022 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 89.219 64.254 50.876 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 88.932 65.423 49.959 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 76.176 91.530 -4.737 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 76.170 90.795 -4.124 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 75.907 92.283 -4.211 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 41.829 0.493 34.847 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 42.434 0.753 35.542 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 42.192 0.888 34.054 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 59.936 85.612 62.965 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 59.086 85.578 63.405 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 60.450 84.922 63.384 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 86.101 37.573 38.390 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 85.786 38.416 38.718 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 85.539 37.384 37.638 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 35.663 32.371 52.748 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 35.975 31.504 52.489 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 34.825 32.469 52.295 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 59.399 90.585 30.303 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 58.747 89.944 30.586 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 58.911 91.404 30.220 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 27.204 28.425 60.489 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 27.028 28.668 61.398 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 26.472 28.797 59.996 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 89.649 64.760 59.570 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 90.297 65.436 59.770 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 88.808 65.215 59.605 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 84.341 39.011 54.441 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 83.427 39.280 54.526 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 84.843 39.762 54.757 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 47.796 14.272 32.746 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 47.215 15.028 32.833 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 47.336 13.683 32.148 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 26.362 72.854 44.597 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 26.315 72.905 43.642 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 26.929 72.103 44.770 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 21.963 79.034 21.340 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 21.878 78.648 22.212 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 22.478 78.398 20.844 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 31.942 27.146 18.184 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 32.588 27.698 17.743 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 31.363 27.764 18.630 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 59.421 91.781 -12.711 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 59.037 91.851 -13.585 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 58.838 91.187 -12.239 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 61.690 41.371 47.816 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 62.348 40.778 48.177 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 60.985 41.372 48.464 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 21.737 60.761 -15.609 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 20.889 60.522 -15.235 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 21.936 61.616 -15.226 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 88.788 89.063 47.946 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 88.991 88.175 47.652 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 87.921 89.244 47.584 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 57.009 82.399 30.127 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 57.757 82.650 29.585 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 56.352 82.091 29.502 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 76.183 62.827 -17.616 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 76.464 62.360 -16.829 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 76.629 63.673 -17.565 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 63.970 29.546 36.881 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 63.588 30.420 36.959 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 63.297 29.028 36.440 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 84.411 51.510 7.800 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 84.643 52.085 8.528 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 85.153 50.911 7.721 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 79.903 2.185 -5.889 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 79.524 3.042 -5.692 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 79.724 2.051 -6.819 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 42.915 46.216 2.354 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 42.615 46.755 3.086 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 42.151 45.694 2.110 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 68.173 95.403 43.662 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 68.660 95.614 42.865 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 67.881 96.251 43.996 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 85.740 25.517 46.982 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 85.877 24.734 47.516 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 84.972 25.939 47.368 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 87.702 52.760 66.234 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 88.305 52.348 66.853 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 88.053 53.641 66.106 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 30.112 62.707 -14.806 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 30.966 62.540 -14.407 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 30.009 62.010 -15.453 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 86.942 33.272 52.710 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 86.062 33.113 53.050 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 87.496 33.321 53.489 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 59.456 3.975 4.161 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 59.694 4.468 3.376 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 60.264 3.933 4.672 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 24.926 34.073 13.777 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 25.731 34.013 13.262 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 24.559 34.927 13.549 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 34.682 16.545 58.497 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 35.078 15.686 58.352 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 35.424 17.148 58.545 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 89.747 57.512 48.364 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 89.537 56.583 48.263 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 90.694 57.530 48.501 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 54.236 92.345 -19.787 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 55.095 92.001 -20.032 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 53.882 91.695 -19.180 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 83.305 8.595 56.424 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 83.840 9.286 56.032 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 83.695 7.781 56.106 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 32.412 12.533 56.101 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 32.511 13.294 55.529 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 33.288 12.151 56.145 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 85.356 37.122 -0.122 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 85.713 37.322 -0.987 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 85.209 36.177 -0.136 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 37.978 79.151 45.755 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 38.126 80.070 45.534 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 37.910 78.708 44.909 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 55.957 0.323 4.953 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 55.173 -0.217 4.853 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 55.643 1.128 5.366 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 59.929 11.915 -2.659 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 60.308 12.123 -1.806 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 60.437 11.167 -2.972 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 70.890 83.817 45.680 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 71.587 84.265 45.199 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 70.330 83.445 44.999 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 74.519 39.254 5.754 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 74.405 40.015 6.324 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 74.662 38.523 6.354 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 60.643 81.493 54.971 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 61.566 81.338 54.769 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 60.583 81.382 55.920 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 41.970 63.917 44.775 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 42.796 63.809 44.304 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 41.813 64.861 44.770 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 53.259 95.928 11.286 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 52.812 96.386 11.998 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 52.703 96.074 10.521 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 77.371 54.888 16.503 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 77.593 55.352 17.309 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 78.216 54.711 16.088 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 43.593 3.876 6.344 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 43.701 3.982 7.289 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 42.701 4.177 6.170 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 46.017 50.693 -15.518 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 46.329 51.597 -15.523 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 46.566 50.252 -14.870 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 72.876 62.137 29.689 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 73.427 61.364 29.808 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 72.266 62.113 30.426 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 25.282 75.699 58.006 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 24.538 75.882 58.581 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 25.789 75.036 58.474 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 24.121 49.546 58.102 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 23.510 50.280 58.163 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 24.012 49.074 58.928 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 40.302 70.166 56.900 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 40.195 70.423 57.816 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 41.248 70.184 56.754 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 76.977 63.565 63.801 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 76.956 62.642 63.549 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 76.604 64.028 63.051 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 57.975 28.015 38.813 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 57.784 27.109 38.571 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 58.557 28.330 38.121 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 25.500 82.114 11.050 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 25.053 81.825 11.845 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 24.987 82.862 10.744 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 76.724 76.295 44.133 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 77.164 75.851 44.857 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 77.422 76.479 43.504 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 68.761 67.375 45.180 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 68.088 67.426 45.858 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 69.428 68.003 45.456 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 34.495 69.357 40.120 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 35.053 69.590 39.378 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 34.734 68.453 40.325 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 65.066 2.412 -14.158 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 65.056 2.509 -13.205 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 64.657 1.561 -14.317 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 75.074 93.416 7.736 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 74.837 94.326 7.915 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 75.825 93.247 8.305 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 81.832 70.303 34.951 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 81.467 69.667 34.336 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 82.774 70.288 34.779 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 28.379 31.667 55.771 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 27.566 31.494 55.296 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 28.344 31.081 56.527 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 28.269 72.294 27.592 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 28.792 71.494 27.642 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 28.885 72.966 27.301 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 73.911 77.082 24.296 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 74.713 76.716 24.670 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 73.442 76.324 23.947 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 78.568 77.606 -11.984 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 77.655 77.804 -11.773 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 78.606 76.650 -12.013 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 89.609 94.696 51.922 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 89.508 95.014 52.819 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 90.507 94.366 51.884 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 54.045 32.940 65.798 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 53.889 32.183 66.362 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 54.287 33.643 66.401 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 40.052 9.388 -3.654 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 40.606 10.159 -3.535 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 39.623 9.529 -4.498 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 70.343 87.397 44.423 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 69.628 87.898 44.817 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 70.282 87.589 43.487 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 32.850 91.662 33.250 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 32.114 91.616 33.859 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 33.605 91.868 33.801 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 50.378 53.817 66.345 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 49.672 53.497 66.907 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 50.553 53.093 65.744 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 63.071 92.181 46.296 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 63.259 91.342 46.717 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 62.516 92.644 46.923 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 80.023 95.028 66.058 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 80.279 95.823 65.591 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 80.320 95.171 66.957 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 20.626 13.131 60.078 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 19.786 13.449 59.749 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 20.612 13.341 61.012 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 67.251 78.055 35.261 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 66.367 78.040 35.627 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 67.167 77.623 34.411 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 26.335 3.356 47.860 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 26.353 3.017 48.754 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 25.709 2.794 47.402 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 86.120 0.858 13.400 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 86.640 0.260 13.936 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 85.382 0.330 13.097 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 82.047 49.299 10.694 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 82.727 49.959 10.836 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 81.304 49.791 10.345 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 87.536 69.748 31.684 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 87.989 69.563 32.506 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 88.229 69.749 31.023 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 49.919 36.820 3.109 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 50.543 36.142 2.853 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 50.362 37.303 3.807 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 78.031 51.003 52.783 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 77.493 51.671 53.208 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 77.694 50.957 51.888 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 35.246 67.016 47.771 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 34.935 66.783 46.896 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 36.041 66.495 47.890 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 79.027 49.513 11.324 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 79.379 49.930 10.537 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 78.293 48.986 11.008 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 22.027 89.333 25.129 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 21.465 90.107 25.163 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 22.021 89.071 24.208 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 39.156 95.445 -7.978 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 39.232 96.172 -7.360 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 39.173 94.661 -7.429 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 43.469 5.311 -16.761 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 43.891 5.392 -17.616 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 44.073 4.775 -16.246 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 71.141 92.546 66.874 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 70.614 92.611 67.671 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 70.935 93.343 66.385 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 67.625 65.669 -14.987 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 68.290 65.418 -15.628 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 67.072 66.299 -15.448 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 27.426 75.724 24.002 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 26.829 75.705 24.750 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 27.301 76.591 23.616 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 80.677 61.273 -0.876 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 80.198 61.108 -1.688 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 81.594 61.321 -1.144 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 39.514 0.938 -5.717 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 39.683 1.200 -4.812 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 39.066 1.690 -6.105 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 75.310 54.074 2.128 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 74.461 54.360 1.790 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 75.099 53.383 2.755 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 65.512 57.859 3.476 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 65.797 58.410 4.205 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 65.796 56.977 3.717 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 27.984 65.325 47.476 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 28.086 64.448 47.106 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 27.236 65.249 48.070 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 32.861 79.486 63.941 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 32.667 78.560 63.797 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 33.023 79.837 63.065 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 32.778 77.578 39.779 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 32.859 77.068 40.585 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 32.263 77.023 39.194 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 27.102 58.689 50.147 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 27.899 58.181 50.302 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 26.390 58.103 50.403 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 82.608 70.977 -12.035 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 83.038 71.550 -11.400 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 83.081 70.148 -11.970 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 20.574 76.941 49.835 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 20.221 77.786 49.558 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 20.423 76.361 49.088 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 88.663 68.948 1.109 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 87.736 68.759 0.963 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 88.814 68.714 2.025 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 34.908 69.578 48.678 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 35.230 68.760 48.301 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 33.976 69.593 48.458 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 42.111 88.466 57.492 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 42.221 88.672 58.421 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 41.707 87.599 57.484 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 81.794 57.914 5.542 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 81.505 58.185 6.413 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 81.844 56.959 5.592 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 50.453 5.687 50.637 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 50.085 5.604 49.757 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 50.968 4.889 50.758 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 53.469 29.897 30.886 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 54.282 29.666 31.334 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 52.784 29.451 31.385 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 75.872 21.322 3.115 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 75.654 21.978 3.777 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 76.061 21.830 2.326 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 41.762 95.311 15.099 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 42.656 94.979 15.023 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 41.242 94.731 14.542 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 76.158 5.451 -18.009 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 75.948 6.141 -17.380 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 76.154 5.892 -18.859 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 73.934 65.105 49.917 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 73.765 65.943 49.486 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 74.696 65.270 50.471 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 41.569 68.546 -3.761 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 40.899 67.863 -3.809 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 42.308 68.126 -3.321 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 70.800 91.073 62.373 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 70.802 90.263 62.884 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 71.463 91.622 62.791 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 62.929 86.505 -3.448 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 63.823 86.561 -3.111 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 63.025 86.118 -4.318 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 48.956 35.793 11.448 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 49.458 35.370 10.751 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 48.987 35.173 12.177 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 65.007 14.679 -1.648 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 65.915 14.777 -1.362 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 65.023 14.907 -2.578 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 35.217 66.661 60.923 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 35.106 66.372 60.017 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 35.104 67.611 60.887 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 32.392 18.173 -16.182 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 32.419 17.348 -16.667 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 33.014 18.050 -15.465 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 29.828 23.763 9.125 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 30.418 23.421 9.797 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 30.386 23.891 8.358 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 69.777 78.909 29.184 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 69.375 78.317 28.548 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 69.416 78.637 30.027 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 87.657 90.660 15.301 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 87.649 89.703 15.327 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 88.164 90.917 16.071 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 72.276 22.680 -14.356 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 72.393 22.455 -15.280 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 72.886 23.402 -14.206 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 74.144 74.634 -16.608 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 73.608 75.424 -16.540 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 73.638 73.961 -16.155 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 27.459 19.160 31.438 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 27.891 18.864 32.240 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 27.459 20.115 31.503 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 66.218 11.470 11.871 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 65.792 10.614 11.823 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 66.831 11.392 12.603 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 46.989 80.208 -16.603 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 46.737 81.042 -16.998 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 47.065 80.398 -15.668 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 74.082 86.121 25.744 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 75.035 86.078 25.814 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 73.878 85.633 24.945 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 81.644 51.321 58.319 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 81.245 51.364 57.450 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 81.606 52.220 58.646 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 36.121 36.537 59.664 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 36.125 37.167 58.943 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 36.532 35.753 59.299 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 30.077 57.830 27.676 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 31.024 57.696 27.683 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 29.718 56.989 27.392 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 84.039 84.981 -1.178 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 84.574 85.541 -0.616 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 84.461 84.123 -1.135 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 36.458 11.669 -0.749 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 36.058 12.386 -1.241 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 36.503 10.945 -1.373 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 47.253 55.151 66.870 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 47.616 55.882 67.371 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 46.428 55.487 66.520 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 41.293 37.094 27.113 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 42.175 36.831 27.376 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 41.212 36.792 26.208 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 88.139 89.008 63.190 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 88.114 88.395 63.924 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 87.311 88.869 62.731 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 69.797 69.183 12.646 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 69.015 69.301 12.106 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 70.341 68.572 12.150 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 69.662 53.102 38.149 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 68.953 53.734 38.272 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 69.216 52.268 37.999 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 60.399 65.709 -11.546 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 59.667 66.312 -11.671 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 60.211 65.271 -10.716 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 87.560 78.060 50.854 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 87.980 77.783 50.040 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 88.219 77.899 51.530 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 65.902 50.692 27.806 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 65.117 51.227 27.925 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 66.011 50.634 26.856 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 82.580 90.050 36.452 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 82.216 90.288 35.599 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 83.186 90.760 36.661 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 64.439 63.389 -10.211 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 64.234 63.044 -9.342 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 63.705 63.966 -10.420 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 71.450 63.421 4.676 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 71.046 64.278 4.811 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 72.229 63.433 5.233 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 85.441 80.196 58.922 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 86.064 80.470 58.249 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 84.773 80.881 58.924 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 38.790 68.269 51.569 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 38.891 68.411 50.628 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 37.881 68.508 51.752 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 48.213 6.460 -18.498 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 47.709 7.201 -18.163 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 48.870 6.292 -17.822 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 43.390 63.403 51.664 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 44.075 62.797 51.381 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 43.352 64.063 50.972 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 54.387 17.095 21.032 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 54.413 17.518 21.889 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 53.514 17.295 20.692 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 25.000 3.770 19.897 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 25.402 2.905 19.814 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 24.059 3.598 19.909 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 64.455 2.787 -11.385 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 65.286 2.967 -10.945 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 63.811 2.753 -10.677 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 32.961 58.499 62.246 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 33.347 57.646 62.050 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 33.496 59.123 61.755 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 20.531 91.381 -19.038 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 20.956 90.587 -19.363 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 19.661 91.093 -18.763 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 54.311 93.518 48.571 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 53.885 94.271 48.161 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 54.670 93.017 47.838 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 81.453 85.639 30.966 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 80.890 86.009 30.285 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 81.194 86.095 31.766 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 52.052 6.925 56.166 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 52.092 7.257 57.063 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 51.122 6.952 55.941 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 71.750 30.723 18.745 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 72.118 30.834 19.621 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 72.159 29.923 18.413 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 22.596 74.660 11.550 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 22.272 75.331 10.950 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 23.382 75.045 11.939 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 32.047 48.834 21.285 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 32.644 49.503 20.949 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 31.233 49.306 21.463 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 76.917 83.726 36.680 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 76.082 84.181 36.790 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 77.179 83.487 37.570 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 82.933 92.039 22.571 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 82.281 91.694 23.181 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 82.663 92.945 22.418 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 41.041 74.398 51.019 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 40.772 73.659 50.473 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 41.560 74.951 50.435 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 63.092 90.349 62.898 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 62.800 90.285 61.989 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 62.413 89.899 63.401 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 68.872 68.806 2.542 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 68.277 69.517 2.778 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 68.722 68.136 3.209 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 46.685 88.565 18.478 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 47.641 88.525 18.468 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 46.406 87.720 18.126 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 32.415 1.611 43.612 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 31.929 0.838 43.900 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 32.909 1.313 42.848 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 84.814 83.756 -14.937 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 84.331 83.003 -14.594 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 85.735 83.522 -14.824 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 46.456 64.805 -18.261 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 46.911 65.552 -18.651 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 45.870 64.494 -18.951 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 42.524 56.887 -12.415 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 43.478 56.806 -12.398 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 42.225 56.362 -11.673 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 80.568 57.847 -9.661 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 80.269 57.901 -8.754 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 80.526 56.915 -9.873 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 27.238 73.420 31.263 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 28.008 73.493 31.826 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 27.171 74.273 30.835 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 80.979 80.464 28.998 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 80.199 80.119 28.564 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 81.691 79.900 28.697 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 90.476 60.509 -18.537 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 89.940 60.429 -17.748 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 91.332 60.795 -18.217 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 36.893 26.514 -1.228 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 37.336 27.014 -1.913 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 37.518 26.492 -0.504 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 29.936 62.765 15.917 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 30.454 62.038 15.573 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 30.336 63.546 15.535 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 64.553 64.558 36.799 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 64.629 65.332 37.357 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 64.307 63.853 37.398 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 62.454 74.409 47.084 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 61.981 73.584 46.968 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 62.471 74.800 46.211 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 72.982 34.521 -9.368 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 73.937 34.586 -9.383 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 72.801 33.775 -8.796 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 84.203 35.265 15.543 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 84.082 34.609 14.856 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 84.759 34.833 16.191 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 44.306 18.063 -7.260 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 43.921 17.874 -8.116 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 43.590 17.927 -6.640 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 22.627 39.346 44.579 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 23.065 40.119 44.224 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 21.964 39.124 43.924 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 26.886 20.222 -11.107 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 27.262 20.882 -10.524 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 27.636 19.871 -11.588 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 47.107 71.952 56.944 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 47.278 72.875 56.756 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 46.255 71.780 56.543 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 51.247 55.129 58.162 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 50.911 55.017 57.273 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 51.184 56.070 58.326 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 42.380 40.013 -10.100 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 43.253 40.082 -9.713 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 41.807 39.799 -9.364 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 66.554 73.576 34.839 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 65.857 73.130 35.320 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 66.333 73.443 33.917 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 87.144 2.642 55.211 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 86.967 3.532 55.516 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 87.151 2.113 56.009 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 77.063 61.429 -15.259 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 76.935 60.544 -14.917 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 77.364 61.937 -14.505 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 24.425 33.175 29.415 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 23.947 33.859 29.884 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 25.066 33.650 28.886 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 47.037 74.326 28.405 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 46.652 73.637 27.863 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 47.138 73.924 29.267 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 50.260 90.741 -11.102 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 50.565 89.922 -10.711 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 50.966 91.365 -10.934 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 63.728 85.263 -17.350 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 62.868 85.050 -16.988 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 64.208 85.647 -16.616 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 31.127 60.002 21.831 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 31.799 59.835 22.492 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 30.942 60.938 21.909 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 24.191 51.485 -5.312 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 24.751 51.538 -6.087 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 23.433 50.975 -5.598 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 69.596 21.858 -2.419 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 69.326 21.913 -1.502 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 70.398 22.378 -2.465 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 60.169 34.296 2.054 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 60.024 34.848 1.286 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 60.032 34.880 2.800 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 44.026 74.747 62.500 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 44.728 74.392 61.956 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 43.757 75.549 62.051 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 61.751 28.653 34.730 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 61.831 28.595 33.778 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 61.752 27.743 35.027 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 56.762 0.459 8.556 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 55.873 0.696 8.289 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 57.316 1.142 8.178 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 71.323 64.424 53.577 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 70.447 64.770 53.405 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 71.412 63.687 52.972 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 42.178 9.994 22.168 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 43.049 9.598 22.189 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 42.099 10.354 21.285 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 72.309 54.447 34.139 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 71.559 54.930 34.485 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 72.478 54.844 33.285 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 90.028 75.331 7.550 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 89.288 75.934 7.479 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 89.920 74.730 6.812 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 54.137 45.881 50.529 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 54.355 45.679 51.439 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 53.608 45.138 50.238 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 86.942 56.627 26.553 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 86.927 57.051 27.411 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 87.872 56.533 26.348 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 66.846 51.263 40.741 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 66.062 50.855 40.373 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 66.643 51.380 41.668 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 66.290 39.365 -0.103 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 67.110 39.839 -0.238 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 65.868 39.365 -0.962 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 53.859 3.597 33.526 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 53.182 4.114 33.961 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 54.082 4.103 32.744 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 79.313 92.565 3.882 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 80.118 92.057 3.984 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 79.594 93.377 3.460 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 66.369 75.889 -7.010 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 66.338 75.209 -6.337 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 67.286 76.164 -7.031 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 35.832 24.193 37.665 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 36.776 24.162 37.511 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 35.519 24.895 37.095 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 45.394 77.725 -9.242 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 46.127 77.427 -8.703 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 45.650 77.504 -10.138 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 88.653 96.426 -19.281 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 89.266 97.105 -19.001 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 89.207 95.673 -19.489 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 63.125 62.638 37.893 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 63.310 61.701 37.952 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 62.852 62.773 36.986 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 45.636 88.039 -18.772 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 45.063 87.293 -18.954 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 46.468 87.644 -18.512 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 78.178 30.002 -15.364 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 77.555 29.275 -15.362 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 78.498 30.047 -14.463 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 89.205 73.197 39.186 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 89.349 73.976 38.647 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 88.349 72.870 38.909 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 35.804 91.872 10.006 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 36.144 92.754 10.157 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 36.062 91.378 10.784 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 74.199 67.542 54.929 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 73.884 67.947 54.121 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 74.189 66.602 54.746 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 47.915 84.392 2.077 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 47.758 83.449 2.044 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 47.043 84.783 2.020 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 80.865 44.141 38.784 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 80.319 44.455 38.063 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 81.131 43.261 38.517 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 70.251 59.455 -0.645 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 70.916 60.025 -1.028 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 70.593 59.236 0.222 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 20.788 33.072 24.437 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 21.451 33.461 23.867 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 21.059 33.316 25.322 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 63.269 23.156 3.459 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 62.500 23.441 2.966 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 63.979 23.713 3.140 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 88.986 49.253 3.516 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 89.673 49.253 4.183 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 88.194 48.994 3.987 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 46.997 81.719 27.117 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 47.360 82.061 26.301 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 47.405 80.859 27.219 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 83.905 13.373 63.179 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 83.581 13.988 62.521 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 83.653 12.511 62.847 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 73.983 19.825 51.229 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 74.136 19.097 50.626 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 73.680 20.540 50.669 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 44.794 59.055 -1.860 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 44.153 59.446 -1.266 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 45.642 59.262 -1.468 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 30.098 36.566 31.828 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 29.255 36.118 31.772 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 30.262 36.882 30.940 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 54.527 1.895 23.258 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 54.171 1.304 23.922 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 53.760 2.336 22.894 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 79.272 16.289 64.779 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 79.357 15.348 64.625 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 79.326 16.681 63.907 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 83.762 41.197 44.478 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 82.975 40.693 44.270 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 84.144 40.746 45.230 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 35.922 2.183 30.285 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 35.422 2.834 29.792 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 36.806 2.234 29.922 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 57.334 67.235 -17.536 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 56.642 67.718 -17.989 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 56.866 66.611 -16.981 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 24.313 73.710 19.286 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 24.768 74.202 19.969 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 24.331 72.803 19.590 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 54.140 15.492 5.895 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 54.266 15.387 4.952 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 53.428 16.126 5.974 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 87.223 55.652 22.939 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 87.175 54.846 23.452 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 86.327 55.988 22.935 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 67.923 48.530 39.554 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 67.412 49.118 38.997 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 68.543 48.112 38.957 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 40.215 42.072 52.547 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 40.757 41.468 52.039 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 40.427 42.937 52.198 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 49.911 35.054 23.549 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 50.211 34.320 24.084 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 50.582 35.147 22.872 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 89.890 34.506 -16.059 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 89.325 34.454 -16.830 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 90.769 34.636 -16.415 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 60.646 71.017 30.129 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 60.514 70.299 30.748 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 59.763 71.267 29.860 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 51.780 79.894 51.802 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 52.224 79.718 52.632 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 52.366 80.493 51.339 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 27.371 37.540 44.963 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 28.231 37.817 44.649 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 26.751 38.075 44.467 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 25.597 5.855 -14.386 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 25.661 5.871 -13.431 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 25.034 5.104 -14.576 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 68.513 72.600 0.138 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 67.840 72.000 0.461 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 68.070 73.117 -0.535 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 82.729 56.496 58.789 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 82.131 57.016 59.326 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 83.560 56.969 58.830 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 48.596 90.606 31.645 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 48.029 90.871 30.921 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 49.484 90.685 31.296 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 49.094 90.094 12.579 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 49.066 89.376 13.211 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 49.151 90.884 13.116 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 84.634 0.535 5.742 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 84.168 0.351 4.926 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 85.168 1.305 5.544 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 73.521 93.834 58.157 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 72.971 94.588 57.945 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 72.918 93.091 58.165 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 78.765 91.832 6.537 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 78.760 92.178 5.645 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 79.468 92.311 6.977 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 22.055 89.753 52.414 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 21.858 89.374 51.558 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 22.574 90.533 52.218 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 22.408 38.236 19.933 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 23.044 38.853 19.570 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 21.668 38.782 20.197 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 22.033 18.777 39.538 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 22.515 17.995 39.268 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 21.685 18.557 40.402 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 26.577 80.790 45.930 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 27.471 80.502 46.113 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 26.321 81.287 46.708 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 72.665 41.597 42.372 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 71.870 41.768 42.876 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 72.404 41.724 41.460 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 50.796 7.182 -2.085 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 50.958 7.498 -1.196 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 50.586 6.255 -1.976 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 66.774 62.607 30.762 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 67.187 61.904 30.262 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 65.917 62.722 30.352 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 58.127 70.422 37.851 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 58.783 70.243 37.177 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 57.355 69.929 37.572 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 52.437 5.167 -12.673 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 51.799 5.561 -13.268 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 52.445 5.748 -11.912 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 79.829 36.694 -2.031 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 80.037 37.605 -2.239 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 80.212 36.553 -1.165 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 80.165 56.240 -3.151 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 80.509 57.023 -3.580 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 80.187 56.449 -2.217 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 73.286 29.725 -13.739 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 72.904 29.599 -12.871 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 73.354 30.674 -13.836 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 32.424 83.819 44.763 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 32.638 83.478 45.632 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 33.205 83.644 44.238 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 22.076 57.259 18.064 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 21.571 56.460 17.912 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 21.448 57.871 18.448 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 36.127 94.393 11.136 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 35.587 94.540 11.912 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 36.861 94.999 11.236 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 75.060 68.596 -11.553 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 74.283 68.177 -11.184 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 75.413 69.122 -10.835 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 60.124 52.938 -7.500 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 59.194 52.772 -7.346 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 60.429 53.358 -6.696 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 75.135 18.642 43.880 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 75.115 18.797 42.936 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 74.821 17.744 43.982 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 30.428 46.246 36.125 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 30.254 45.844 35.274 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 29.772 46.938 36.202 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 81.890 84.713 -7.806 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 82.626 85.167 -7.395 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 82.093 83.784 -7.701 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 41.893 42.209 12.280 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 41.591 42.807 12.963 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 42.530 42.719 11.779 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 29.102 25.149 53.916 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 29.280 24.401 53.346 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 28.853 25.853 53.317 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 73.373 73.283 57.424 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 73.712 72.524 57.899 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 73.798 73.239 56.567 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 61.469 63.766 48.359 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 60.773 63.217 47.999 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 61.975 63.176 48.918 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 68.472 4.078 52.322 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 69.286 4.464 51.999 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 68.367 4.440 53.202 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 63.730 35.906 29.063 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 64.177 35.400 28.384 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 63.289 36.609 28.587 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 76.142 91.829 -15.681 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 76.861 91.288 -16.009 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 76.370 92.719 -15.948 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 46.546 20.241 2.760 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 46.656 20.951 2.127 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 47.224 20.399 3.417 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 86.554 80.427 61.450 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 86.199 80.295 60.571 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 87.116 81.197 61.369 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 54.992 31.768 -10.446 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 55.375 32.013 -11.288 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 55.031 32.568 -9.923 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 75.175 40.720 42.482 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 74.370 41.224 42.358 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 75.761 41.031 41.793 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 67.102 42.935 40.535 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 66.718 42.318 39.912 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 66.816 42.620 41.392 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 32.312 46.053 21.449 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 32.151 46.996 21.433 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 33.228 45.961 21.187 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 83.703 65.585 50.788 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 84.579 65.641 50.407 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 83.648 64.693 51.132 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 64.457 46.966 63.009 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 63.750 47.528 63.326 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 64.324 46.926 62.062 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 50.131 77.915 34.169 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 50.631 77.118 33.994 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 49.249 77.605 34.374 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 29.258 67.246 49.397 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 29.214 67.191 48.442 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 28.471 66.794 49.700 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 25.474 95.409 32.702 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 26.143 96.094 32.697 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 25.806 94.755 33.316 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 47.271 90.825 2.057 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 46.898 90.040 2.459 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 46.511 91.319 1.748 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 48.373 24.455 58.631 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 47.694 24.483 57.958 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 48.740 25.339 58.639 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 69.491 71.459 24.822 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 68.636 71.855 24.988 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 69.290 70.608 24.432 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 38.334 40.637 -14.247 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 39.092 40.276 -14.706 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 38.463 40.383 -13.333 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 88.559 47.357 56.168 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 88.390 46.416 56.115 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 88.583 47.648 55.257 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 88.796 2.791 -14.096 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 88.012 2.294 -14.330 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 89.258 2.230 -13.473 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 75.749 94.303 -8.282 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 76.023 93.894 -9.103 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 76.515 94.233 -7.712 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 78.317 78.736 32.001 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 78.816 78.478 32.776 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 78.695 79.577 31.743 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 76.529 49.490 37.889 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 76.697 50.306 37.417 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 75.606 49.301 37.722 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 25.474 96.806 36.832 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 24.911 96.176 36.381 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 24.999 97.020 37.636 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 69.063 75.186 64.335 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 69.001 74.936 65.257 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 68.517 75.969 64.262 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 76.299 84.996 10.177 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 75.356 85.005 10.342 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 76.379 85.135 9.233 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 30.848 57.868 -18.035 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 30.043 58.385 -18.031 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 31.414 58.300 -17.394 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 36.185 1.436 22.982 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 37.008 1.177 22.567 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 36.218 2.392 23.006 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 54.318 70.451 62.042 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 53.703 69.911 62.537 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 53.888 70.593 61.199 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 82.373 58.733 28.679 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 82.270 58.008 28.062 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 81.481 58.939 28.959 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 72.996 34.695 19.559 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 73.787 34.228 19.291 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 72.360 34.504 18.871 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 84.958 23.507 52.345 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 84.052 23.378 52.064 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 85.258 22.633 52.594 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 52.577 65.052 40.357 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 51.938 64.726 39.723 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 53.003 64.264 40.694 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 47.131 33.309 -16.956 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 47.313 33.480 -17.880 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 47.327 32.380 -16.841 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 20.757 94.130 55.911 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 20.762 94.173 56.868 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 19.857 94.342 55.666 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 32.997 37.426 22.605 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 33.708 37.538 21.974 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 33.435 37.167 23.416 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 51.431 4.389 20.279 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 52.110 4.970 19.937 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 51.169 3.857 19.528 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 76.768 53.088 -15.233 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 76.762 52.229 -14.810 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 76.190 53.625 -14.692 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 64.697 66.713 -17.896 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 64.457 67.387 -18.532 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 64.525 65.886 -18.345 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 22.134 61.116 9.342 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 21.951 62.049 9.233 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 22.974 61.089 9.800 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 50.898 2.696 17.936 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 51.494 1.983 18.163 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 51.254 3.057 17.124 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 39.541 37.188 63.856 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 39.341 37.071 62.927 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 39.490 38.134 63.995 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 25.742 71.426 27.725 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 25.496 70.748 27.096 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 26.676 71.569 27.571 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 62.211 72.099 38.719 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 62.488 71.332 39.221 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 61.787 72.667 39.362 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 22.423 68.484 3.888 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 22.171 67.597 3.632 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 22.504 68.959 3.061 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 87.094 74.612 61.278 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 87.107 73.672 61.097 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 87.856 74.760 61.837 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 66.980 19.355 -16.521 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 67.187 20.081 -15.934 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 67.612 19.437 -17.236 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 49.751 42.317 50.291 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 49.176 41.912 50.940 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 49.155 42.711 49.655 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 36.199 95.908 -12.966 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 36.169 96.779 -12.569 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 35.830 95.329 -12.300 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 68.034 26.404 49.587 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 67.485 26.073 50.298 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 67.654 27.254 49.365 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 54.180 43.218 59.067 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 54.314 44.136 58.831 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 53.655 43.250 59.866 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 51.808 65.085 13.330 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 51.314 64.548 13.950 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 52.725 64.875 13.508 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 46.982 54.515 42.219 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 46.482 53.726 42.424 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 46.319 55.173 42.013 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 48.529 70.187 -14.349 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 48.475 69.977 -13.417 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 48.802 69.370 -14.765 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 83.352 10.708 -13.867 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 83.869 10.416 -14.618 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 82.673 11.266 -14.246 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 61.765 70.331 -4.302 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 61.724 69.612 -4.934 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 61.805 69.898 -3.449 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 34.483 45.106 27.082 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 34.695 44.376 27.663 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 34.739 44.803 26.211 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 22.396 1.078 28.194 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 21.502 0.787 28.374 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 22.791 1.189 29.059 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 81.264 47.159 34.094 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 81.947 47.702 33.699 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 81.563 47.013 34.991 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 84.567 51.300 0.871 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 84.520 51.049 1.793 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 85.177 52.037 0.853 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 33.043 87.816 41.634 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 32.426 87.106 41.807 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 33.790 87.388 41.214 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 46.795 77.731 13.300 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 46.281 77.375 12.575 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 46.940 76.984 13.881 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 26.161 28.097 -10.106 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 26.279 27.257 -10.550 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 25.828 28.683 -10.785 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 45.576 85.638 0.705 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 45.995 85.713 -0.153 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 45.053 86.436 0.787 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 51.827 86.516 14.868 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 52.078 87.033 15.634 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 52.178 85.642 15.043 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 20.244 4.126 -3.339 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 20.040 4.323 -4.253 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 20.647 4.927 -3.005 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 70.630 51.738 24.361 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 70.161 51.944 23.553 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 69.943 51.490 24.980 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 76.832 29.412 31.070 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 77.341 30.115 30.667 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 77.106 28.621 30.606 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 38.894 2.618 -10.203 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 38.931 1.661 -10.190 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 38.338 2.827 -10.954 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 37.811 95.494 42.306 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 37.193 96.005 41.783 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 38.511 95.265 41.695 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 54.457 89.930 28.480 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 53.733 90.543 28.608 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 55.244 90.470 28.545 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 53.123 15.363 29.745 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 52.216 15.563 29.974 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 53.242 15.746 28.876 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 88.267 68.701 18.456 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 88.775 67.920 18.677 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 88.436 68.841 17.524 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 54.730 92.023 19.882 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 54.633 92.657 20.592 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 53.968 91.449 19.966 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 57.690 38.893 59.811 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 57.990 38.730 60.705 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 57.423 39.812 59.812 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 24.670 70.744 52.208 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 24.845 71.660 52.423 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 25.512 70.403 51.907 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 38.318 68.085 -6.541 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 38.500 68.765 -5.892 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 37.591 67.586 -6.169 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 56.684 4.962 4.309 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 56.755 5.815 4.738 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 57.557 4.801 3.950 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 47.580 28.146 66.976 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 47.622 28.186 67.932 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 47.233 28.999 66.715 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 70.841 10.954 56.049 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 71.640 10.811 56.556 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 70.290 11.493 56.617 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 87.926 3.015 -4.728 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 87.462 2.595 -5.452 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 88.720 3.373 -5.126 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 43.584 88.585 64.858 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 43.116 89.192 64.285 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 43.884 89.127 65.588 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 35.532 76.822 24.381 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 36.000 77.279 23.683 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 36.029 77.023 25.175 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 44.922 50.519 -17.796 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 45.594 50.508 -18.477 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 45.411 50.441 -16.976 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 42.319 70.833 16.919 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 43.110 70.475 17.321 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 41.801 70.063 16.683 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 31.223 69.337 50.703 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 31.265 69.188 49.759 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 31.338 68.468 51.089 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 34.222 19.203 -9.090 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 33.534 19.692 -9.542 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 33.894 19.094 -8.198 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 56.582 51.597 60.095 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 56.715 52.494 60.401 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 56.105 51.692 59.271 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 24.159 43.582 54.539 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 24.512 44.321 54.043 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 24.008 43.932 55.416 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 85.167 48.902 28.311 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 85.440 49.818 28.361 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 84.233 48.918 28.518 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 44.760 86.890 49.712 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 43.986 86.331 49.643 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 45.483 86.335 49.422 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 41.088 77.274 26.177 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 41.602 76.502 26.414 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 40.512 76.972 25.475 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 39.304 7.115 20.854 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 38.586 6.492 20.963 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 38.946 7.950 21.154 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 40.077 73.331 16.248 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 40.862 72.786 16.203 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 40.106 73.722 17.121 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 24.068 0.885 60.560 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 24.986 0.744 60.330 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 24.003 0.601 61.472 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 47.668 2.578 -5.772 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 47.347 1.806 -5.305 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 48.596 2.400 -5.921 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 37.815 15.811 56.910 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 37.411 16.611 57.246 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 38.639 15.737 57.392 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 79.062 20.875 59.359 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 79.798 20.266 59.307 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 79.426 21.716 59.084 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 85.012 46.238 55.247 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 85.086 46.951 54.613 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 84.178 46.397 55.691 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 21.367 53.964 52.989 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 21.214 53.536 53.832 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 20.811 54.743 53.011 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 77.714 64.791 43.512 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 77.230 64.095 43.068 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 77.050 65.447 43.725 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 23.209 77.447 56.537 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 24.157 77.315 56.520 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 22.843 76.575 56.386 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 79.942 11.493 57.606 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 80.728 11.434 57.063 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 79.377 10.790 57.287 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 90.589 5.353 -19.906 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 90.334 5.031 -19.042 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 89.782 5.329 -20.420 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 48.055 69.535 53.396 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 48.153 68.809 52.780 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 47.435 70.128 52.972 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 33.995 1.671 65.585 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 34.898 1.913 65.380 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 34.055 1.207 66.420 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 47.515 14.625 25.769 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 47.254 15.240 25.084 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 48.468 14.567 25.689 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 65.676 50.640 14.324 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 65.589 49.775 14.725 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 64.792 51.005 14.346 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 71.516 48.484 60.460 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 71.668 47.625 60.853 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 70.679 48.770 60.825 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 23.070 15.833 39.833 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 22.317 15.686 39.260 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 23.656 15.098 39.652 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 77.022 76.284 64.218 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 77.940 76.150 63.983 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 76.559 76.298 63.380 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 83.440 81.324 51.221 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 83.593 81.808 50.409 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 84.302 80.993 51.470 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 78.183 56.829 18.035 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 79.058 56.587 18.339 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 77.728 57.124 18.824 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 30.643 87.733 22.484 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 30.980 87.253 21.728 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 31.353 88.329 22.726 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 61.703 89.303 25.100 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 61.690 90.190 25.460 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 61.559 88.735 25.857 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 50.835 89.420 66.569 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 51.639 88.958 66.329 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 50.813 89.381 67.525 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 61.435 79.431 -17.329 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 60.565 79.031 -17.345 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 61.928 78.960 -18.001 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 35.263 53.790 11.495 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 35.878 53.860 10.765 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 35.807 53.875 12.277 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 30.867 52.090 4.701 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 30.878 51.283 5.216 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 31.179 52.764 5.305 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 57.587 15.243 19.645 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 57.667 16.178 19.459 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 58.446 14.880 19.426 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 88.248 33.752 -3.849 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 88.801 33.965 -3.097 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 87.435 34.233 -3.692 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 87.617 20.190 -19.092 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 87.544 19.245 -18.959 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 87.239 20.574 -18.301 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 23.174 57.922 23.844 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 24.120 57.905 23.696 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 22.795 57.678 23.000 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 30.864 72.099 5.950 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 30.635 72.723 6.638 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 31.530 72.548 5.430 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 73.004 57.841 32.844 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 72.563 57.093 32.443 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 72.325 58.272 33.362 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 75.939 94.248 14.843 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 75.983 93.934 13.940 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 75.175 93.806 15.214 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 37.110 92.022 1.701 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 36.708 92.558 1.017 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 36.630 91.194 1.670 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 74.331 75.531 31.910 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 75.144 75.309 31.457 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 74.481 76.411 32.254 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 58.933 78.009 -17.489 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 58.621 77.681 -18.332 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 59.000 77.229 -16.938 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 54.645 53.809 52.546 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 54.667 54.302 51.725 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 53.786 54.005 52.920 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 39.530 21.379 -7.699 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 38.823 21.848 -8.141 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 39.927 20.842 -8.384 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 24.980 70.198 -7.874 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 24.255 70.338 -7.264 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 25.714 70.676 -7.488 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 20.101 73.215 5.417 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 19.986 72.325 5.086 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 21.049 73.319 5.502 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 58.728 13.475 -8.158 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 59.294 12.926 -8.700 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 59.077 13.379 -7.272 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 24.339 43.051 23.540 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 24.174 42.182 23.174 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 24.237 42.936 24.485 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 83.819 50.509 54.170 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 82.868 50.439 54.247 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 84.147 50.285 55.041 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 83.455 84.916 17.878 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 83.283 84.107 17.396 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 84.380 85.099 17.716 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 22.274 89.473 5.416 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 21.596 89.112 5.986 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 22.264 90.413 5.596 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 50.824 17.991 -8.552 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 51.241 17.918 -9.411 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 49.929 17.684 -8.692 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 24.096 12.545 -9.165 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 24.437 13.367 -9.519 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 24.724 12.298 -8.486 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 77.055 0.083 30.473 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 76.604 0.916 30.608 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 76.668 -0.508 31.119 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 68.793 84.226 17.138 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 68.640 84.480 18.048 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 68.179 84.759 16.633 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 35.968 30.173 -5.322 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 36.300 29.760 -6.120 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 35.643 29.445 -4.793 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 44.680 77.556 52.592 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 44.611 77.411 53.536 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 45.605 77.754 52.446 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 35.476 62.496 35.416 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 36.028 61.734 35.244 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 35.637 63.081 34.676 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 53.827 21.450 -12.703 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 53.503 21.602 -11.816 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 54.695 21.852 -12.714 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 31.289 67.064 57.252 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 31.874 66.306 57.287 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 31.092 67.172 56.322 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 44.269 64.741 48.028 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 43.734 65.526 48.144 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 44.696 64.865 47.180 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 64.455 89.785 9.712 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 63.511 89.817 9.866 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 64.559 90.053 8.799 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 89.618 57.549 19.269 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 89.283 57.427 20.157 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 88.854 57.427 18.705 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 41.428 5.885 21.790 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 40.586 6.253 21.523 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 41.965 5.914 20.998 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 38.723 24.195 -10.513 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 39.620 23.866 -10.446 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 38.333 24.002 -9.661 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 78.230 26.743 29.952 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 78.318 25.821 30.193 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 78.803 27.207 30.562 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 28.980 82.119 12.547 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 29.326 81.600 13.273 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 28.044 82.196 12.732 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 66.981 12.190 59.553 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 66.765 11.411 59.040 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 66.462 12.102 60.353 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 22.770 71.220 0.996 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 22.108 70.557 1.195 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 23.391 71.164 1.723 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 39.119 91.068 39.450 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 39.041 90.118 39.533 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 39.102 91.390 40.352 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 86.324 43.912 4.345 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 86.586 44.817 4.510 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 86.904 43.618 3.643 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 24.139 86.436 52.302 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 23.951 85.906 53.076 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 24.566 87.221 52.646 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 72.250 12.104 -10.721 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 71.747 12.811 -10.317 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 71.927 11.308 -10.298 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 22.341 59.789 55.696 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 22.188 60.712 55.900 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 23.294 59.700 55.684 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 55.963 29.291 42.081 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 55.739 29.955 41.430 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 55.262 28.643 42.014 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 62.559 72.459 25.076 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 62.385 71.591 25.440 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 61.797 72.646 24.527 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 88.434 67.684 50.000 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 87.525 67.399 50.095 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 88.436 68.218 49.206 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 84.190 57.712 55.484 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 84.325 56.765 55.526 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 83.269 57.813 55.247 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 45.415 92.100 -1.583 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 45.147 91.927 -2.486 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 46.247 92.566 -1.665 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 46.712 37.129 10.636 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 46.338 37.375 11.482 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 47.428 36.532 10.855 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 57.829 67.254 30.751 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 57.597 67.904 30.089 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 57.245 66.515 30.577 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 34.980 88.037 21.794 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 35.753 87.569 22.107 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 35.227 88.356 20.926 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 88.859 83.350 51.093 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 88.648 82.636 50.492 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 89.675 83.717 50.751 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 83.980 37.316 24.124 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 84.507 37.827 23.510 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 83.082 37.613 23.974 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 37.181 82.911 33.655 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 37.056 82.135 34.200 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 36.404 82.940 33.097 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 40.672 34.802 42.308 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 40.612 35.368 41.538 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 41.602 34.584 42.373 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 48.864 83.648 54.305 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 49.102 82.723 54.234 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 49.113 83.892 55.196 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 38.947 71.071 -1.530 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 38.216 71.386 -0.999 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 38.830 70.121 -1.560 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 70.747 78.844 16.609 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 71.350 78.193 16.968 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 71.305 79.588 16.380 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 71.029 8.625 51.359 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 70.481 9.058 52.014 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 71.234 9.312 50.725 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 21.688 79.978 63.214 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 22.641 80.031 63.150 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 21.481 80.371 64.062 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 40.378 71.201 8.295 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 39.951 70.369 8.089 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 40.763 71.066 9.161 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 26.122 35.393 0.320 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 26.507 35.932 1.010 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 26.842 34.840 0.017 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 63.328 8.546 7.613 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 63.886 9.172 8.075 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 62.913 9.060 6.921 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 41.442 48.068 62.004 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 41.545 48.945 62.373 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 40.555 48.061 61.645 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 83.315 36.589 45.117 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 83.365 36.026 45.889 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 84.194 36.555 44.738 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 52.806 63.842 8.039 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 53.339 64.592 7.776 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 53.232 63.512 8.831 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 35.214 68.111 44.049 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 36.087 68.203 43.667 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 34.624 68.086 43.295 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 54.268 92.003 8.442 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 53.414 91.953 8.013 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 54.204 91.394 9.177 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 60.598 85.141 29.837 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 60.408 86.079 29.846 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 60.237 84.815 30.661 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 38.901 53.206 65.374 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 39.486 53.559 64.703 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 39.397 52.492 65.774 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 57.201 83.123 34.532 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 56.350 83.556 34.463 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 57.253 82.570 33.752 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 85.851 15.287 58.717 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 85.962 15.224 57.768 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 85.727 16.222 58.881 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 65.803 61.898 36.670 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 65.742 61.983 35.719 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 65.266 61.134 36.879 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 52.476 91.020 -18.030 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 51.809 90.363 -18.228 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 52.140 91.478 -17.259 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 90.480 46.499 58.821 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 89.752 45.878 58.786 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 90.065 47.345 58.990 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 83.715 6.618 7.228 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 83.713 5.756 7.644 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 84.424 7.092 7.662 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 33.453 73.589 51.405 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 33.329 72.696 51.085 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 32.573 73.967 51.405 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 50.681 53.018 -4.641 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 50.669 52.491 -3.842 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 50.954 53.888 -4.351 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 63.539 47.125 44.126 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 62.690 46.751 43.891 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 63.550 47.982 43.700 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 28.396 24.512 63.917 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 27.642 24.942 63.513 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 28.905 24.177 63.178 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 35.503 59.581 10.717 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 35.932 59.402 11.553 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 35.549 60.533 10.623 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 72.199 76.013 -12.878 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 72.965 75.905 -12.315 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 71.482 75.611 -12.387 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 22.610 25.779 20.810 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 21.808 25.579 20.325 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 23.005 24.924 20.982 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 40.752 95.555 6.694 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 40.817 94.826 6.078 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 40.685 96.333 6.140 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 53.518 68.646 64.170 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 54.429 68.683 64.462 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 53.055 68.211 64.886 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 34.918 61.126 46.565 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 35.209 60.870 45.690 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 35.728 61.276 47.053 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 33.443 30.195 2.225 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 33.257 29.256 2.228 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 32.660 30.594 1.846 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 34.422 37.415 -11.115 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 33.865 37.253 -11.876 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 34.148 36.760 -10.473 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 21.699 84.467 -15.899 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 22.192 83.898 -15.307 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 22.029 84.248 -16.771 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 77.797 23.189 -4.947 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 77.542 24.108 -5.032 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 77.598 22.968 -4.037 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 68.590 90.335 50.383 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 68.712 90.025 51.281 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 69.329 89.967 49.900 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 29.439 5.241 -15.611 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 30.250 5.268 -16.118 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 28.830 4.746 -16.158 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 44.457 62.396 -15.127 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 44.992 61.877 -14.527 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 43.846 62.867 -14.559 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 79.464 78.210 47.007 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 80.196 78.629 46.555 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 79.118 78.891 47.584 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 50.767 72.539 42.377 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 49.825 72.492 42.211 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 51.127 71.774 41.928 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 59.305 27.906 65.161 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 59.261 28.812 64.857 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 60.063 27.537 64.708 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 68.338 7.785 56.001 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 68.651 8.038 56.869 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 67.410 8.021 56.003 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 72.644 34.643 0.796 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 71.750 34.302 0.826 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 72.887 34.760 1.715 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 59.801 36.815 -5.190 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 59.099 36.487 -4.628 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 60.215 37.509 -4.676 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 86.246 44.912 -10.102 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 85.606 45.030 -10.804 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 85.962 44.118 -9.650 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 54.907 13.560 38.240 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 54.212 14.011 37.760 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 54.551 12.688 38.415 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 61.900 24.509 -12.898 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 61.228 24.123 -12.336 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 62.240 25.248 -12.394 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 36.421 43.630 65.206 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 36.127 43.947 66.060 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 35.765 43.957 64.590 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 83.230 75.171 39.539 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 83.411 74.236 39.636 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 84.088 75.590 39.614 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 68.739 51.928 22.287 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 68.009 51.313 22.365 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 68.323 52.775 22.126 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 57.470 94.851 17.126 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 56.570 94.646 16.874 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 57.457 95.789 17.319 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 78.643 80.347 -2.757 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 79.400 79.801 -2.972 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 78.861 80.736 -1.910 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 88.802 41.489 -4.245 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 88.489 41.312 -3.358 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 88.158 42.096 -4.610 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 72.407 89.973 29.183 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 71.495 89.817 28.940 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 72.568 89.370 29.909 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 32.783 82.738 17.521 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 32.912 81.869 17.143 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 33.609 83.194 17.362 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 51.589 60.203 44.761 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 51.043 60.604 44.086 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 52.459 60.149 44.365 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 29.074 66.633 -6.598 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 29.765 66.847 -5.971 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 29.508 66.099 -7.263 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 49.349 47.873 39.635 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 49.214 48.048 38.704 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 49.115 46.951 39.742 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 25.088 46.722 41.627 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 24.580 46.005 42.006 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 25.698 46.976 42.319 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 52.830 86.760 20.378 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 53.741 86.534 20.565 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 52.318 86.081 20.818 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 48.114 83.414 -17.368 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 47.235 83.108 -17.142 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 48.507 83.653 -16.529 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 47.365 69.784 49.844 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 47.541 69.330 49.020 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 46.613 70.345 49.652 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 43.268 58.775 7.507 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 43.417 58.795 8.452 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 44.133 58.618 7.130 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 40.871 24.989 30.426 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 41.493 24.467 30.932 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 41.286 25.848 30.348 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 81.024 92.567 -16.275 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 81.557 93.360 -16.218 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 81.649 91.874 -16.489 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 87.076 12.625 3.002 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 87.376 13.454 3.376 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 87.346 11.963 3.638 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 71.566 40.899 5.985 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 72.503 41.023 6.142 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 71.261 40.396 6.740 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 40.715 75.888 9.785 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 41.459 75.421 9.404 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 40.918 75.943 10.718 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 77.697 32.604 -15.392 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 78.262 32.852 -16.124 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 77.911 31.686 -15.224 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 32.115 71.914 -8.376 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 33.055 72.019 -8.230 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 32.041 71.114 -8.896 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 36.214 48.531 60.133 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 36.512 48.661 59.233 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 35.317 48.208 60.045 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 43.470 88.069 23.260 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 44.278 87.609 23.029 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 43.753 88.774 23.842 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 26.373 19.087 62.903 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 25.923 19.724 62.348 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 25.678 18.695 63.431 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 26.518 72.741 11.829 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 26.551 71.931 12.338 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 25.584 72.933 11.745 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 67.584 26.167 34.939 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 68.435 26.261 35.366 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 67.579 25.269 34.607 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 22.781 47.377 50.584 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 22.398 46.517 50.757 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 22.402 47.645 49.747 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 68.210 43.674 31.356 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 67.754 42.838 31.254 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 67.918 44.199 30.612 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 49.769 93.550 21.530 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 49.527 92.650 21.314 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 48.977 93.925 21.916 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 62.415 69.742 65.245 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 61.618 69.391 64.849 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 62.314 70.692 65.186 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 62.513 96.580 -3.699 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 61.630 96.653 -3.337 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 62.712 95.645 -3.659 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 27.736 32.568 39.616 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 27.220 32.681 38.818 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 27.678 31.632 39.809 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 78.567 27.427 16.299 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 78.841 27.449 17.215 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 78.996 28.184 15.901 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 81.527 83.505 49.405 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 80.647 83.185 49.602 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 81.631 83.357 48.465 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 83.485 83.355 4.021 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 83.801 83.050 4.871 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 84.268 83.673 3.573 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 79.545 70.679 48.892 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 79.330 71.583 48.662 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 80.317 70.473 48.364 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 70.929 66.710 41.339 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 69.973 66.705 41.305 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 71.201 66.780 40.423 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 65.812 51.502 30.505 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 65.825 50.827 29.826 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 65.410 52.260 30.083 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 56.290 47.575 49.426 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 55.421 47.294 49.714 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 56.383 48.462 49.774 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 56.151 20.366 -17.338 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 55.557 20.135 -18.053 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 55.777 21.163 -16.963 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 61.600 8.205 1.577 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 61.286 8.461 0.709 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 61.921 9.018 1.966 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 51.871 29.243 4.496 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 52.750 28.893 4.642 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 51.710 29.810 5.250 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 43.989 15.529 -19.700 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 44.909 15.569 -19.440 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 43.798 14.594 -19.768 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 39.415 37.756 -15.551 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 40.035 37.723 -14.822 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 39.777 37.152 -16.200 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 30.365 72.874 -18.270 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 31.218 72.529 -18.004 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 29.731 72.264 -17.894 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 42.521 85.936 17.775 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 42.671 85.062 18.136 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 41.639 85.895 17.406 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 35.552 58.278 -19.509 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 36.324 57.867 -19.897 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 34.817 57.935 -20.016 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 37.669 56.953 66.752 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 38.609 56.777 66.788 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 37.265 56.179 67.146 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 48.852 12.509 52.768 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 48.523 12.582 51.872 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 48.869 11.568 52.941 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 27.849 73.456 54.565 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 27.852 74.255 55.092 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 28.767 73.187 54.533 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 37.536 79.892 18.812 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 37.708 79.077 19.285 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 36.778 80.272 19.256 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 27.407 39.334 34.405 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 27.979 39.895 33.881 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 26.589 39.295 33.909 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 87.615 73.780 36.592 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 86.996 73.082 36.805 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 87.066 74.501 36.281 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 62.972 65.886 -10.650 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 62.108 66.027 -11.036 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 63.586 66.066 -11.362 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 87.033 62.517 34.118 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 86.660 62.128 34.909 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 86.324 62.481 33.476 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 56.519 38.525 1.465 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 56.411 39.094 2.227 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 55.810 38.779 0.874 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 29.159 12.125 26.964 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 29.385 12.145 26.034 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 29.874 12.594 27.394 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 77.664 59.953 17.214 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 76.781 59.886 16.851 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 78.020 59.068 17.144 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 43.538 81.248 16.053 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 43.081 81.895 15.515 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 43.490 80.438 15.546 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 85.117 69.424 35.263 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 85.155 69.867 34.415 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 84.757 68.559 35.066 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 59.103 80.493 48.615 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 59.526 81.216 48.151 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 58.647 80.004 47.930 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 44.307 47.738 -2.905 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 44.128 48.678 -2.902 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 43.761 47.387 -2.201 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 73.888 69.675 56.727 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 74.156 69.030 56.073 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 73.062 70.026 56.395 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 22.359 57.722 -14.221 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 21.920 58.548 -14.016 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 21.645 57.108 -14.394 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 57.380 17.198 24.963 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 57.660 18.068 25.247 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 56.478 17.321 24.668 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 81.656 60.804 38.087 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 81.111 61.560 38.305 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 81.862 60.917 37.159 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 85.613 81.294 25.044 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 85.263 81.977 25.616 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 86.497 81.133 25.375 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 81.996 34.500 16.824 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 81.254 35.086 16.673 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 82.688 34.839 16.257 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 50.653 94.445 58.192 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 50.465 93.507 58.183 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 49.808 94.858 58.371 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 30.901 15.697 17.012 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 30.892 16.336 16.300 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 30.305 16.059 17.668 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 26.633 71.507 24.525 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 25.726 71.807 24.462 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 27.156 72.302 24.421 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 68.569 37.865 -2.624 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 67.902 38.240 -3.200 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 68.192 37.038 -2.325 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 61.756 39.315 -7.154 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 61.522 38.388 -7.209 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 62.613 39.321 -6.727 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 64.803 15.148 16.454 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 65.196 14.733 17.222 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 63.961 14.705 16.346 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 80.368 93.589 62.442 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 80.697 93.062 63.170 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 80.613 93.096 61.659 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 67.173 51.777 -5.682 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 67.279 52.614 -6.134 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 66.868 52.014 -4.806 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 78.392 90.532 49.423 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 79.038 90.789 48.764 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 78.794 90.771 50.258 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 89.671 39.297 -16.726 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 89.540 38.691 -15.997 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 90.008 40.094 -16.317 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 47.561 7.955 52.204 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 48.134 7.374 52.705 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 47.136 7.382 51.567 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 72.547 71.257 7.206 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 71.635 71.543 7.259 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 72.578 70.698 6.429 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 46.589 76.854 45.329 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 45.922 77.532 45.440 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 46.276 76.328 44.594 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 21.758 79.653 -17.575 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 21.732 80.104 -16.731 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 22.363 78.924 -17.438 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 49.533 40.154 61.652 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 50.161 40.831 61.399 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 48.706 40.436 61.261 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 21.649 85.328 5.388 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 21.213 84.559 5.019 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 21.315 86.063 4.872 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 29.753 74.280 33.849 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 29.693 73.742 34.638 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 30.567 74.001 33.429 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 22.801 78.278 -1.129 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 22.191 78.379 -1.859 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 23.611 78.686 -1.435 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 70.131 94.553 32.240 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 69.781 93.729 31.902 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 69.414 94.928 32.751 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 55.478 84.282 47.472 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 55.083 85.067 47.092 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 55.193 83.570 46.899 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 85.364 86.390 3.015 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 85.189 86.676 3.912 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 85.568 85.458 3.096 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 75.988 85.300 56.283 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 75.279 84.657 56.315 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 75.941 85.666 55.400 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 89.396 88.596 -19.922 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 90.188 88.257 -19.505 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 88.761 87.883 -19.846 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 28.870 78.288 21.420 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 28.085 78.698 21.057 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 28.588 77.938 22.265 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 71.294 44.587 65.731 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 71.252 45.500 65.445 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 70.396 44.372 65.981 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 64.657 67.961 -9.155 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 64.299 67.332 -8.529 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 64.457 67.586 -10.013 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 55.043 63.190 -4.812 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 55.276 63.833 -4.141 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 54.851 62.391 -4.322 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 52.659 94.640 26.926 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 53.384 95.265 26.920 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 51.879 95.176 26.776 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 42.977 73.031 -8.507 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 42.536 72.214 -8.275 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 42.302 73.704 -8.410 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 52.028 84.130 7.200 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 52.193 83.508 7.909 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 52.285 83.662 6.406 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 63.293 84.182 -0.866 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 63.359 83.339 -0.416 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 63.645 84.015 -1.740 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 88.699 48.637 41.056 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 88.178 49.221 41.606 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 88.452 47.757 41.339 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 68.477 2.731 44.444 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 67.715 3.309 44.490 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 68.498 2.295 45.296 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 35.202 65.444 58.087 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 34.383 65.157 57.681 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 35.872 65.267 57.427 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 43.606 5.618 55.082 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 43.829 4.704 55.255 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 43.841 5.754 54.164 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 76.167 76.653 7.270 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 76.639 76.256 8.001 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 75.545 75.981 6.991 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 71.124 91.781 -17.402 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 71.508 92.394 -16.775 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 70.242 92.117 -17.558 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 70.494 31.494 2.595 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 70.348 31.909 1.745 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 70.623 32.224 3.200 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 67.429 54.490 -9.525 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 67.741 55.395 -9.514 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 66.641 54.514 -10.067 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 88.769 44.799 51.991 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 88.786 45.756 51.979 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 87.942 44.579 52.420 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 43.417 74.860 49.442 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 44.158 75.466 49.467 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 43.669 74.200 48.796 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 46.469 9.287 -3.818 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 46.891 10.145 -3.855 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 45.586 9.439 -4.154 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 71.351 58.386 50.470 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 72.094 58.962 50.648 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 70.977 58.721 49.655 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 68.266 92.853 -5.531 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 69.045 92.481 -5.946 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 68.586 93.220 -4.707 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 68.642 72.745 10.979 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 68.103 72.371 11.676 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 68.027 72.913 10.265 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 24.946 80.465 1.546 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 25.780 80.093 1.259 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 24.903 80.265 2.481 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 22.033 37.568 11.322 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 22.116 38.354 11.861 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 21.111 37.321 11.396 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 73.720 86.434 17.835 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 72.984 86.044 17.364 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 74.288 86.782 17.147 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 81.739 32.408 51.795 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 82.184 32.568 50.962 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 81.783 33.246 52.255 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 87.347 2.942 36.208 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 87.030 2.783 35.319 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 86.567 3.204 36.697 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 52.852 75.347 29.405 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 52.851 74.480 29.811 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 53.061 75.181 28.486 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 29.446 87.842 25.228 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 30.087 87.535 25.869 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 29.883 87.738 24.382 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 46.770 41.476 3.079 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 47.052 40.655 3.482 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 46.954 42.143 3.740 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 31.664 78.763 8.366 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 32.553 78.727 8.718 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 31.125 79.053 9.102 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 58.781 36.513 64.278 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 59.100 37.415 64.290 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 57.840 36.589 64.438 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 45.269 82.482 34.986 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 44.954 82.415 34.085 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 46.037 81.912 35.015 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 30.045 81.603 25.108 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 30.353 82.283 24.509 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 30.451 80.798 24.786 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 86.893 86.052 64.205 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 87.687 85.909 63.690 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 86.195 85.650 63.687 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 39.329 10.273 58.818 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 38.842 10.930 59.316 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 39.887 9.845 59.467 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 21.598 91.531 58.625 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 22.069 92.350 58.776 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 22.256 90.848 58.758 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 82.897 29.326 -15.281 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 83.640 28.924 -15.731 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 83.287 30.012 -14.740 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 53.406 1.464 34.909 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 53.585 2.236 34.371 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 53.355 0.742 34.282 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 23.924 67.835 -5.587 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 24.876 67.863 -5.680 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 23.619 68.642 -6.002 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 38.896 58.841 38.830 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 39.262 59.694 38.599 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 39.647 58.247 38.820 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 44.103 82.392 43.104 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 43.957 83.293 43.390 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 44.457 82.475 42.218 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 45.685 83.441 45.656 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 46.485 83.806 45.277 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 44.979 83.967 45.281 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 41.020 21.548 -11.122 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 40.161 21.450 -11.534 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 41.458 20.711 -11.278 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 84.870 69.383 -11.803 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 85.659 69.313 -11.266 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 85.156 69.140 -12.684 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 65.686 12.771 18.296 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 65.564 13.063 19.200 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 64.998 12.120 18.160 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 64.241 50.645 39.892 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 64.031 50.666 38.958 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 63.712 51.347 40.272 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 65.989 52.721 53.615 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 66.924 52.719 53.411 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 65.609 53.344 52.996 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 74.639 93.262 51.980 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 74.030 93.161 52.712 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 74.826 92.367 51.697 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 52.682 90.242 20.007 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 52.787 89.410 19.546 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 52.241 90.010 20.824 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 47.177 9.113 46.531 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 47.524 9.936 46.187 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 46.242 9.278 46.651 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 32.847 62.701 11.217 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 33.561 63.339 11.201 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 32.920 62.282 12.075 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 69.311 48.338 7.629 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 68.839 48.558 6.826 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 68.706 48.570 8.334 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 44.980 45.775 51.470 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 45.850 46.017 51.154 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 44.747 46.467 52.088 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 72.556 45.138 22.433 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 73.243 44.475 22.495 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 72.118 44.954 21.602 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 77.685 58.998 -2.160 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 77.168 58.200 -2.050 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 77.687 59.155 -3.104 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 60.448 31.326 35.323 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 60.520 30.516 34.818 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 59.636 31.729 35.015 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 47.425 67.462 30.462 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 46.822 66.771 30.189 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 47.324 67.508 31.413 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 20.622 92.358 4.924 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 19.953 92.758 5.479 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 21.418 92.380 5.454 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 35.804 52.321 31.810 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 35.831 52.900 32.572 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 36.242 52.816 31.118 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 60.770 17.778 -11.729 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 61.008 18.467 -11.109 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 61.031 18.124 -12.583 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 89.978 88.305 61.232 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 89.394 88.475 61.971 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 90.786 87.985 61.633 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 38.678 59.794 61.839 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 38.823 60.581 61.315 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 39.489 59.293 61.749 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 35.700 62.709 57.043 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 36.095 63.570 56.907 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 36.440 62.102 57.044 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 72.603 89.675 12.989 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 71.867 89.354 13.510 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 73.379 89.365 13.455 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 81.599 8.936 -1.319 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 80.711 9.288 -1.381 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 82.109 9.460 -1.937 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 34.194 27.004 1.033 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 34.445 26.385 0.348 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 33.800 26.460 1.715 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 82.279 94.049 37.162 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 82.718 94.642 37.772 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 81.476 94.507 36.916 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 77.109 80.743 21.616 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 77.572 80.167 22.224 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 76.186 80.651 21.852 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 58.648 71.005 -1.821 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 58.692 71.481 -0.992 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 58.361 70.125 -1.577 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 86.736 72.467 7.544 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 87.109 71.741 8.045 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 87.224 72.467 6.721 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 47.260 91.267 57.744 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 46.408 91.632 57.506 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 47.059 90.582 58.381 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 66.003 81.507 34.731 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 65.601 82.059 34.059 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 65.545 80.670 34.659 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 59.964 61.553 35.494 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 59.727 60.628 35.421 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 59.131 62.002 35.641 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 88.377 70.560 28.300 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 87.666 69.921 28.259 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 88.459 70.885 27.403 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 30.107 20.430 28.845 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 29.554 19.649 28.855 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 31.002 20.091 28.868 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 27.734 66.919 17.298 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 27.819 67.468 18.077 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 28.030 66.054 17.582 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 56.990 77.811 25.422 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 56.043 77.674 25.386 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 57.363 76.943 25.269 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 83.752 69.923 22.548 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 83.253 69.456 21.877 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 84.039 69.239 23.153 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 41.478 27.658 51.369 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 41.636 26.760 51.080 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 42.308 27.935 51.756 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 57.674 56.160 -9.795 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 56.772 56.103 -10.109 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 57.703 55.571 -9.041 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 34.289 4.339 22.869 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 33.446 4.343 22.416 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 34.582 5.249 22.839 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 37.826 60.295 -1.407 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 38.234 61.114 -1.686 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 38.424 59.942 -0.748 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 31.252 76.573 26.538 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 31.563 77.452 26.755 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 31.870 76.255 25.880 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 34.066 1.541 -3.119 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 33.708 0.686 -2.879 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 33.300 2.065 -3.352 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 66.743 87.590 0.404 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 67.105 88.449 0.623 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 65.888 87.573 0.834 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 76.229 3.250 66.896 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 76.690 3.372 66.066 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 76.344 4.080 67.359 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 74.188 4.327 0.878 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 74.623 3.987 0.096 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 74.743 4.041 1.604 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 30.074 60.275 48.404 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 30.962 60.517 48.665 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 30.135 59.346 48.181 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 59.680 62.242 29.150 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 59.217 61.555 28.672 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 58.999 62.872 29.386 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 25.010 29.650 54.480 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 25.357 30.340 53.914 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 25.785 29.183 54.792 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 36.167 94.419 -10.667 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 35.932 95.012 -9.953 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 37.116 94.322 -10.595 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 52.274 88.835 1.182 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 52.730 89.256 1.911 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 52.920 88.236 0.809 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 26.803 57.088 12.974 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 27.674 57.399 12.726 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 26.969 56.369 13.583 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 79.149 58.017 4.271 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 78.885 57.464 5.007 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 78.607 58.802 4.355 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 88.820 45.844 -11.298 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 88.735 45.955 -10.351 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 88.222 45.128 -11.510 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 59.157 20.792 4.395 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 58.479 21.457 4.276 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 59.482 20.619 3.511 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 34.053 59.529 15.481 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 34.300 58.632 15.256 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 34.879 59.956 15.709 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 32.943 72.032 36.135 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 33.531 72.218 36.868 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 33.267 71.207 35.772 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 62.303 65.031 -5.537 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 61.364 64.987 -5.718 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 62.430 64.456 -4.783 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 48.240 67.264 51.565 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 47.484 66.716 51.772 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 48.294 67.248 50.610 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 81.498 73.764 -16.168 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 82.344 74.190 -16.027 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 81.352 73.826 -17.111 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 36.764 15.218 6.070 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 37.621 15.610 6.239 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 36.640 15.310 5.126 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 90.505 1.483 10.528 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 90.342 1.575 11.467 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 89.655 1.646 10.120 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 30.080 85.874 -13.006 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 30.938 86.261 -12.832 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 29.776 86.312 -13.801 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 66.696 67.552 -19.929 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 66.497 66.621 -20.031 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 66.096 67.852 -19.246 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 24.975 92.519 56.144 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 25.699 93.136 56.045 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 25.213 91.778 55.587 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 84.661 47.004 -1.840 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 84.062 46.279 -2.019 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 84.184 47.564 -1.227 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 36.818 23.182 0.021 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 36.883 22.731 0.863 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 37.058 24.088 0.214 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 68.262 70.418 48.095 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 67.307 70.480 48.066 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 68.491 69.882 47.336 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 52.753 86.521 -0.673 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 52.345 86.039 0.046 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 53.093 85.841 -1.255 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 31.739 41.478 3.129 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 32.528 40.986 3.356 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 31.930 42.376 3.402 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 21.285 76.681 62.727 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 21.849 76.514 61.971 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 20.901 77.541 62.555 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 31.591 78.935 46.063 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 31.393 78.077 45.690 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 30.807 79.165 46.564 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 82.663 29.550 28.447 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 83.601 29.393 28.547 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 82.526 30.425 28.811 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 48.973 87.896 49.022 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 49.163 88.376 48.216 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 48.295 88.413 49.456 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 27.959 5.896 43.061 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 28.258 6.559 43.682 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 28.716 5.736 42.497 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 50.623 53.058 36.095 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 51.158 53.503 36.753 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 50.329 53.758 35.512 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 84.959 39.003 45.996 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 84.557 38.139 46.086 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 85.671 38.873 45.369 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 86.076 95.121 7.656 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 85.744 95.992 7.438 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 87.025 95.192 7.547 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 57.633 73.431 30.919 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 57.954 72.584 30.609 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 56.797 73.551 30.469 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 60.343 94.764 4.759 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 59.842 95.568 4.625 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 60.682 94.839 5.651 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 27.592 21.502 8.448 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 26.941 21.289 7.780 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 28.340 21.839 7.956 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 34.551 83.953 42.172 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 34.805 84.487 41.420 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 35.178 84.186 42.856 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 37.736 72.733 64.953 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 36.966 73.163 65.325 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 38.474 73.267 65.247 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 55.472 32.470 -15.638 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 54.982 33.168 -16.073 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 55.458 31.743 -16.261 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 87.396 74.733 66.985 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 86.499 74.585 67.285 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 87.315 75.410 66.313 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 65.630 75.775 46.372 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 65.533 74.954 46.855 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 65.884 75.505 45.489 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 43.367 76.820 22.166 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 43.361 75.868 22.072 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 43.999 76.989 22.865 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 75.051 82.615 13.836 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 75.625 83.352 13.625 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 74.376 82.634 13.158 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 88.510 71.021 25.590 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 88.699 70.086 25.668 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 87.906 71.083 24.851 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 63.694 7.446 31.502 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 64.414 7.238 32.096 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 63.054 7.901 32.050 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 51.640 86.151 25.567 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 51.044 86.611 24.976 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 51.070 85.774 26.237 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 76.547 77.418 26.752 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 76.753 76.491 26.874 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 75.614 77.485 26.956 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 35.657 73.857 2.301 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 36.507 73.527 2.011 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 35.841 74.300 3.129 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 63.879 52.578 -6.665 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 64.261 52.724 -5.800 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 63.390 53.380 -6.850 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 85.995 27.672 -12.576 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 86.712 27.051 -12.454 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 85.494 27.320 -13.312 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 38.098 88.646 -5.294 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 37.860 88.382 -4.405 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 37.342 88.401 -5.827 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 38.951 66.100 37.684 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 39.838 65.741 37.652 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 39.077 67.049 37.675 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 57.542 75.486 38.201 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 57.943 74.722 37.787 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 56.623 75.447 37.937 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 46.910 42.560 41.640 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 46.107 43.080 41.595 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 47.528 43.114 42.117 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 45.519 47.966 60.372 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 44.685 47.843 59.919 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 45.327 48.604 61.059 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 44.357 80.724 9.465 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 45.091 81.144 9.017 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 44.695 80.515 10.336 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 84.781 84.494 27.780 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 84.819 84.321 28.721 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 85.520 84.006 27.417 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 70.645 21.005 57.982 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 70.029 21.607 58.401 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 70.573 20.197 58.490 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 29.700 1.046 -14.789 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 29.750 1.181 -15.736 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 29.568 0.103 -14.688 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 73.876 61.441 3.096 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 73.198 61.903 3.589 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 73.860 60.549 3.443 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 88.615 31.830 16.926 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 88.445 31.364 17.744 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 87.943 31.510 16.324 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 88.374 39.506 4.897 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 88.900 38.775 5.220 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 89.015 40.140 4.577 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 20.470 84.542 49.972 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 21.342 84.879 49.766 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 19.900 85.310 49.930 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 82.980 34.977 7.269 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 83.139 35.026 8.212 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 82.064 34.708 7.193 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 69.727 81.407 59.363 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 69.950 82.053 60.032 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 70.159 80.604 59.651 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 30.711 19.598 -19.984 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 30.779 20.013 -19.125 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 30.076 20.134 -20.460 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 38.569 3.824 19.075 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 38.246 2.990 18.734 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 38.877 4.297 18.302 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 28.549 80.142 -16.412 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 29.334 80.684 -16.334 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 27.834 80.769 -16.524 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 88.446 84.070 36.790 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 88.333 84.912 36.349 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 87.650 83.581 36.582 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 57.407 75.768 28.291 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 56.878 75.221 28.872 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 57.367 75.325 27.443 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 64.786 8.416 19.630 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 64.492 7.533 19.855 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 65.239 8.725 20.415 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 26.841 94.832 -13.366 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 27.025 95.376 -12.600 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 26.515 94.009 -13.003 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 67.353 16.481 46.104 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 66.734 16.200 45.430 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 67.051 17.353 46.358 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 27.649 10.300 -12.337 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 26.975 10.515 -12.982 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 28.474 10.510 -12.773 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 24.180 57.067 46.242 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 24.800 56.973 46.966 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 23.378 57.388 46.654 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 30.096 87.857 3.146 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 29.660 88.528 2.620 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 30.949 87.740 2.726 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 63.476 15.829 6.729 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 62.638 15.406 6.916 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 64.091 15.426 7.342 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 78.035 94.632 -0.331 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 77.098 94.783 -0.455 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 78.249 93.935 -0.951 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 26.097 25.960 11.459 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 26.784 26.220 12.073 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 26.568 25.685 10.673 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 24.321 96.092 53.892 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 23.762 95.339 54.082 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 23.709 96.807 53.718 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 58.777 61.371 -11.464 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 58.788 61.139 -10.536 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 58.581 60.550 -11.915 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 32.585 32.605 21.207 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 32.772 31.667 21.255 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 33.392 33.027 21.502 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 34.652 72.812 38.346 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 35.470 72.319 38.278 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 34.913 73.726 38.237 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 25.566 87.831 7.882 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 25.551 88.084 8.805 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 24.836 87.219 7.788 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 57.076 73.599 44.579 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 57.130 74.026 43.724 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 56.293 73.050 44.525 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 66.361 48.033 54.777 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 65.687 47.389 54.558 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 66.586 47.846 55.688 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 85.416 87.876 65.172 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 84.597 87.380 65.148 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 86.089 87.219 65.350 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 22.554 62.022 51.690 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 22.606 62.927 51.998 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 21.856 62.032 51.035 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 56.092 35.326 -1.838 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 55.946 36.038 -1.215 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 55.267 34.841 -1.846 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 42.506 3.740 29.511 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 43.116 4.149 30.126 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 43.054 3.164 28.978 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 66.371 17.709 58.820 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 66.378 16.896 59.325 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 65.451 17.841 58.591 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 73.940 73.245 54.595 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 73.426 73.988 54.278 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 73.293 72.560 54.762 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 84.982 33.370 6.802 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 84.061 33.630 6.778 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 85.316 33.594 5.933 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 88.402 24.187 53.107 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 87.530 23.881 52.859 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 88.514 23.888 54.009 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 41.064 60.998 15.102 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 41.354 61.910 15.080 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 41.483 60.632 15.881 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 83.762 67.563 42.217 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 83.952 66.867 42.847 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 82.854 67.807 42.396 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 35.826 6.338 12.108 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 35.189 5.629 12.196 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 36.112 6.518 13.004 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 85.712 49.356 60.729 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 85.115 49.966 60.296 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 86.559 49.512 60.312 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 26.803 2.814 11.958 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 27.415 2.891 12.690 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 26.164 3.512 12.104 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 64.853 21.477 6.603 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 65.596 21.679 7.172 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 64.194 22.135 6.826 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 50.425 22.753 44.629 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 50.963 21.961 44.634 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 49.542 22.442 44.425 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 49.905 84.274 32.015 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 50.477 83.668 32.486 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 49.019 83.987 32.236 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 71.880 84.795 -19.218 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 72.732 84.977 -19.615 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 71.917 85.226 -18.364 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 77.810 40.383 0.602 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 78.081 40.892 -0.162 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 77.011 39.936 0.322 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 77.686 65.906 55.452 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 77.910 66.822 55.289 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 77.509 65.543 54.584 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 65.289 75.832 22.996 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 65.213 76.383 22.216 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 64.695 75.100 22.831 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 23.577 66.625 40.399 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 23.686 67.252 41.114 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 24.017 67.032 39.653 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 83.602 75.373 43.992 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 83.500 75.251 44.936 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 84.510 75.128 43.815 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 88.134 16.793 49.703 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 88.487 16.194 49.045 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 88.549 17.634 49.510 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 46.538 25.620 41.477 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 46.923 24.784 41.211 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 47.097 25.924 42.192 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 50.120 88.611 28.381 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 51.028 88.587 28.682 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 49.712 87.846 28.786 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 38.227 28.968 37.807 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 38.127 29.318 38.693 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 37.772 29.598 37.248 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 27.654 79.206 -6.910 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 28.008 78.706 -6.174 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 26.774 79.456 -6.629 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 45.201 76.723 3.860 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 45.625 76.007 4.332 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 44.384 76.345 3.534 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 57.628 74.220 6.450 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 57.138 73.596 6.986 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 57.508 75.061 6.891 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 45.181 74.190 52.025 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 44.709 73.672 51.373 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 44.919 75.094 51.850 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 89.013 68.739 36.685 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 89.662 69.306 37.101 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 89.347 67.852 36.819 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 50.871 83.147 17.667 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 50.786 82.671 16.841 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 50.480 82.566 18.319 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 71.916 73.045 12.038 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 71.541 72.397 11.442 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 71.542 72.831 12.893 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 39.425 8.581 13.115 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 39.125 9.485 13.018 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 38.633 8.087 13.325 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 84.731 66.519 4.686 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 84.567 66.579 5.627 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 84.615 65.591 4.481 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 22.560 76.183 25.498 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 21.989 75.453 25.739 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 22.342 76.368 24.585 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 62.749 20.763 21.938 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 62.062 20.486 21.331 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 62.275 21.091 22.702 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 46.929 33.518 -12.144 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 46.921 32.562 -12.190 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 46.172 33.738 -11.602 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 43.781 3.283 -7.646 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 43.605 2.674 -6.929 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 42.924 3.651 -7.864 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 75.737 3.349 8.471 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 75.449 2.468 8.232 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 75.888 3.788 7.633 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 61.931 23.112 55.567 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 61.175 23.349 56.104 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 62.555 22.732 56.185 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 29.563 8.369 -1.068 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 30.310 8.951 -0.927 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 29.879 7.505 -0.805 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 79.730 89.736 66.733 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 78.788 89.803 66.575 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 79.999 90.627 66.957 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 70.779 31.819 -19.578 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 71.627 32.054 -19.201 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 70.220 31.644 -18.821 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 39.821 90.393 61.154 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 40.146 89.870 60.421 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 39.422 89.755 61.746 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 85.594 69.867 17.448 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 84.921 69.823 18.127 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 86.382 69.522 17.868 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 67.891 22.912 4.395 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 67.812 23.865 4.435 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 66.988 22.597 4.367 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 76.912 82.608 -3.022 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 77.446 81.817 -3.094 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 76.023 82.316 -3.224 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 90.340 73.765 11.771 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 90.467 72.887 11.410 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 91.176 73.978 12.184 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 65.121 18.146 7.155 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 64.414 17.501 7.166 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 64.699 18.969 7.401 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 81.192 53.889 -8.537 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 81.912 53.308 -8.291 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 80.401 53.403 -8.307 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 62.222 78.585 -0.065 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 61.990 79.200 0.630 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 62.636 77.852 0.390 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 68.378 95.698 19.831 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 68.517 96.638 19.945 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 68.113 95.604 18.916 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 29.395 83.489 54.395 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 29.700 84.172 53.798 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 30.138 82.891 54.475 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 24.934 23.574 21.477 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 24.729 22.787 21.982 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 25.550 24.058 22.026 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 37.485 11.982 60.054 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 37.334 11.426 60.818 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 36.862 11.666 59.400 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 34.963 31.983 -18.252 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 34.942 31.966 -17.295 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 35.611 32.655 -18.465 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 67.420 59.610 14.659 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 67.022 58.750 14.524 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 67.287 59.793 15.589 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 59.665 58.097 30.691 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 59.573 57.333 30.121 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 59.014 58.719 30.366 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 78.244 45.977 63.406 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 78.601 45.888 62.522 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 77.547 45.322 63.450 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 78.919 37.447 7.666 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 78.024 37.590 7.973 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 79.392 38.238 7.926 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 35.808 75.774 -7.153 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 34.956 76.155 -7.368 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 36.321 75.866 -7.956 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 31.281 13.862 15.039 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 30.488 13.330 14.971 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 31.262 14.208 15.931 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 62.319 74.029 -10.482 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 62.675 73.142 -10.537 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 63.025 74.547 -10.094 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 45.724 71.531 -15.512 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 45.080 71.763 -14.843 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 46.269 72.313 -15.602 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 61.853 68.051 45.292 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 61.622 67.158 45.547 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 61.274 68.247 44.555 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 58.644 90.457 23.814 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 58.029 90.403 24.545 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 58.640 89.580 23.431 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 32.156 41.877 -7.799 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 32.325 42.689 -7.320 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 32.548 41.193 -7.256 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 53.347 65.522 -11.999 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 52.867 65.754 -11.205 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 53.646 64.625 -11.846 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 83.103 10.240 -9.918 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 83.740 10.875 -10.246 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 82.335 10.765 -9.693 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 45.272 47.716 53.178 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 45.406 48.399 53.835 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 46.034 47.784 52.602 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 60.086 79.919 21.546 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 60.543 79.534 20.799 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 59.429 79.267 21.789 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 50.207 63.351 14.722 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 50.986 63.245 15.268 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 49.599 62.683 15.037 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 65.809 83.135 48.812 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 66.007 84.043 49.039 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 65.010 82.934 49.301 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 74.319 88.421 -2.533 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 74.106 88.567 -1.611 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 73.518 88.651 -3.004 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 63.410 62.043 26.155 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 63.149 62.941 25.952 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 63.473 61.613 25.302 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 33.520 83.341 -18.834 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 32.794 83.952 -18.709 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 33.138 82.478 -18.675 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 48.618 72.189 29.354 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 48.636 71.232 29.363 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 48.896 72.425 28.469 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 28.776 63.762 18.164 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 27.858 63.495 18.115 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 29.159 63.454 17.342 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 42.257 48.532 8.722 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 42.209 49.076 9.509 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 42.833 49.016 8.130 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 86.715 40.593 36.464 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 86.170 40.304 35.733 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 87.243 41.306 36.104 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 26.908 25.513 -10.691 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 26.577 24.630 -10.855 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 27.817 25.383 -10.419 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 78.446 79.566 27.944 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 77.743 79.939 28.476 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 78.100 78.726 27.644 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 83.848 91.537 -17.199 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 84.341 92.207 -17.673 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 83.968 90.740 -17.715 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 56.978 76.453 49.980 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 56.424 76.117 49.276 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 56.530 77.243 50.282 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 44.534 60.012 58.292 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 43.984 60.436 57.633 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 44.706 60.698 58.938 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 42.473 4.298 19.776 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 42.321 3.882 18.928 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 41.889 3.836 20.378 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 44.321 57.274 54.955 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 43.415 56.994 55.085 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 44.847 56.549 55.293 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 47.070 3.208 55.030 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 47.457 2.518 55.570 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 47.619 3.235 54.246 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 79.952 74.638 -3.697 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 79.249 74.879 -3.095 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 80.632 74.266 -3.135 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 54.209 10.364 28.428 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 54.130 11.316 28.487 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 53.681 10.127 27.665 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 57.900 69.407 44.666 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 57.751 69.825 45.514 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 57.083 68.947 44.478 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 83.456 54.604 65.806 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 82.825 53.891 65.909 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 83.832 54.467 64.937 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 65.471 42.752 28.183 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 65.196 43.499 28.714 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 64.855 42.740 27.450 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 32.308 73.346 27.769 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 32.674 73.038 28.598 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 33.062 73.676 27.282 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 19.989 13.815 -5.728 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 20.755 13.590 -6.257 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 20.335 14.367 -5.027 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 55.558 94.778 66.878 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 55.052 93.981 67.037 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 54.908 95.481 66.892 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 52.860 29.155 -3.972 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 53.255 29.947 -3.607 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 52.153 28.938 -3.365 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 41.415 22.969 66.313 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 41.970 22.652 65.600 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 40.555 23.092 65.911 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 31.053 91.889 40.199 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 31.115 90.946 40.353 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 30.330 92.176 40.757 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 36.546 47.598 65.629 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 37.420 47.210 65.666 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 36.105 47.272 66.414 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 85.853 13.140 60.595 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 85.777 13.964 60.113 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 85.923 13.405 61.513 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 30.973 53.209 16.705 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 31.680 53.381 17.326 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 31.418 52.914 15.910 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 90.197 74.300 18.627 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 89.264 74.118 18.743 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 90.487 73.663 17.975 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 50.199 0.585 58.626 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 50.647 -0.191 58.288 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 50.899 1.223 58.766 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 51.671 11.683 60.792 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 51.094 10.995 61.126 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 51.814 12.260 61.541 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 87.029 30.973 37.776 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 87.711 31.037 38.444 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 86.394 31.648 38.015 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 52.118 77.892 -10.819 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 51.601 77.266 -10.312 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 52.983 77.878 -10.408 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 29.612 63.034 36.800 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 30.050 63.447 37.545 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 30.243 63.100 36.084 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 50.243 85.429 3.009 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 50.186 86.385 3.032 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 49.352 85.141 2.809 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 33.715 87.025 27.558 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 34.114 87.043 28.428 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 34.264 86.422 27.056 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 50.510 50.743 53.213 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 50.577 51.370 52.493 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 51.318 50.231 53.162 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 62.858 50.483 14.759 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 62.914 49.831 15.458 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 61.927 50.699 14.706 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 45.110 78.249 -16.241 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 45.548 79.083 -16.071 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 44.607 78.400 -17.041 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 49.689 29.485 0.584 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 49.398 28.580 0.697 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 50.008 29.744 1.449 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 36.184 43.559 9.106 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 36.705 44.167 9.631 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 35.464 43.301 9.682 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 85.679 2.818 4.716 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 86.170 3.261 5.409 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 85.877 3.319 3.925 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 68.106 11.129 44.267 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 68.512 11.834 44.771 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 67.231 11.038 44.644 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 75.440 58.500 63.741 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 75.222 57.913 63.017 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 75.312 57.970 64.527 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 27.147 94.927 56.398 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 26.627 95.698 56.174 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 27.560 94.669 55.574 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 38.493 2.726 56.004 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 37.839 2.462 56.650 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 39.150 2.030 56.028 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 77.861 24.028 62.983 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 78.414 23.281 62.756 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 78.477 24.746 63.132 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 24.127 71.468 23.036 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 23.368 71.764 22.534 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 24.614 70.911 22.429 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 68.407 82.452 15.021 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 68.607 83.150 15.644 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 67.807 81.874 15.493 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 90.253 91.917 61.722 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 90.497 92.736 61.291 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 91.028 91.361 61.637 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 73.063 92.991 15.186 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 73.040 92.351 15.898 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 72.616 93.760 15.540 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 45.382 33.494 35.556 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 46.119 33.574 36.161 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 45.368 34.326 35.083 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 47.553 67.804 33.082 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 47.558 66.961 33.535 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 48.150 68.353 33.591 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 74.533 45.203 27.304 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 74.102 45.791 27.924 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 73.840 44.943 26.697 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 66.466 53.422 -16.575 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 66.666 52.505 -16.387 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 65.703 53.387 -17.152 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 75.257 22.971 -10.870 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 75.883 22.535 -10.293 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 74.794 23.587 -10.302 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 48.858 86.443 -5.166 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 48.876 85.501 -5.333 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 47.941 86.634 -4.966 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 48.428 30.409 -1.730 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 47.938 29.836 -2.320 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 48.691 29.840 -1.007 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 54.776 79.898 31.317 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 54.343 79.568 30.530 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 54.475 79.319 32.018 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 80.427 90.291 22.028 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 80.606 91.091 21.533 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 79.860 90.574 22.745 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 72.746 47.141 28.941 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 71.799 47.223 28.830 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 73.103 47.938 28.550 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 89.994 93.649 66.720 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 90.488 94.066 67.426 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 90.242 92.725 66.767 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 87.287 61.706 5.394 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 87.231 61.356 6.283 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 87.495 60.946 4.850 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 29.993 80.535 32.904 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 30.049 79.622 33.188 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 29.265 80.549 32.284 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 24.403 7.866 -6.499 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 23.644 8.115 -5.973 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 24.602 8.646 -7.017 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 56.594 56.412 -3.355 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 56.554 57.093 -2.683 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 56.981 55.658 -2.909 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 82.854 67.735 -17.314 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 83.382 67.131 -17.837 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 82.490 68.348 -17.953 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 39.644 4.913 6.499 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 39.394 5.174 7.386 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 40.432 5.423 6.312 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 35.761 59.686 1.936 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 35.184 60.120 2.564 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 36.560 60.212 1.939 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 45.241 62.549 -10.634 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 44.533 62.658 -10.000 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 45.277 63.384 -11.101 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 55.322 69.341 49.869 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 54.531 68.988 50.275 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 56.032 69.074 50.453 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 80.669 83.240 3.464 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 80.345 84.137 3.553 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 81.612 83.309 3.615 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 76.654 64.034 31.955 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 76.632 63.098 32.156 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 75.924 64.166 31.349 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 24.004 61.054 35.149 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 24.814 60.694 35.510 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 24.293 61.723 34.529 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 74.508 51.900 17.449 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 74.011 51.387 16.811 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 74.329 51.477 18.289 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 77.768 95.446 61.439 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 78.536 94.937 61.699 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 77.059 94.804 61.398 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 23.255 68.605 -9.732 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 23.886 69.130 -9.239 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 23.729 67.803 -9.951 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 42.177 71.380 -6.090 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 41.548 71.448 -5.371 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 42.994 71.721 -5.726 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 34.842 13.920 -5.848 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 33.987 13.771 -6.252 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 34.741 14.744 -5.372 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 76.761 89.398 62.977 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 76.727 90.061 62.287 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 77.692 89.195 63.069 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 41.758 71.233 -15.973 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 42.037 70.404 -16.360 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 41.066 70.990 -15.357 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 63.941 87.933 6.190 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 63.680 87.367 6.917 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 63.452 87.599 5.438 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 33.415 54.338 -15.260 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 34.245 54.036 -15.631 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 33.670 54.891 -14.521 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 50.121 69.889 33.008 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 50.519 69.505 32.226 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 50.196 69.207 33.675 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 85.474 33.386 49.641 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 86.153 33.909 50.067 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 85.827 33.196 48.772 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 47.532 84.741 39.051 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 47.780 84.039 39.652 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 46.629 84.952 39.289 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 42.123 14.723 60.626 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 42.609 15.263 60.003 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 41.223 14.731 60.300 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 21.007 71.524 -7.950 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 20.922 72.472 -7.846 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 20.620 71.160 -7.154 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 59.384 93.251 49.840 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 58.581 93.433 49.353 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 59.295 92.340 50.119 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 37.157 65.356 47.830 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 37.278 64.468 48.165 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 37.292 65.276 46.886 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 75.098 56.287 14.914 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 75.134 56.723 15.765 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 75.048 55.354 15.124 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 25.959 32.055 -13.090 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 26.306 31.321 -13.598 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 26.736 32.525 -12.786 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 44.784 5.486 34.007 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 45.423 5.129 34.623 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 44.535 6.330 34.382 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 90.031 87.696 -8.509 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 90.512 88.511 -8.367 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 90.703 87.015 -8.498 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 46.995 18.031 48.397 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 46.044 17.926 48.406 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 47.320 17.312 48.939 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 76.991 64.710 66.253 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 77.086 64.554 65.313 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 77.432 63.968 66.665 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 34.749 74.302 14.205 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 34.979 73.806 13.419 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 35.091 75.181 14.042 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 86.581 68.309 27.927 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 86.161 67.968 28.716 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 87.190 67.620 27.662 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 32.889 73.071 -0.801 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 32.886 72.930 0.145 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 33.771 73.388 -0.994 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 54.200 61.550 54.581 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 55.144 61.508 54.431 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 53.827 60.947 53.939 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 27.544 85.851 61.486 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 28.494 85.754 61.545 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 27.354 86.656 61.967 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 28.125 66.100 25.028 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 28.984 65.704 24.881 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 28.211 66.559 25.863 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 50.823 23.998 20.618 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 51.272 24.127 19.783 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 51.395 24.410 21.265 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 65.761 53.663 -11.515 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 65.551 54.434 -12.041 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 66.440 53.209 -12.014 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 21.820 93.090 41.098 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 22.245 92.234 41.142 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 21.794 93.298 40.163 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 35.524 82.601 -5.545 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 34.594 82.392 -5.449 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 35.977 81.791 -5.312 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 88.175 89.631 9.662 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 87.968 89.905 10.556 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 88.303 88.685 9.724 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 35.648 22.426 19.491 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 35.374 22.141 18.619 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 36.227 21.729 19.800 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 62.783 86.725 -14.269 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 62.900 85.926 -13.755 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 61.837 86.869 -14.277 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 73.146 28.973 -11.179 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 73.744 29.423 -10.582 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 73.228 28.048 -10.946 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 57.508 90.867 12.864 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 57.373 91.687 12.387 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 57.892 91.136 13.699 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 85.082 58.532 -4.405 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 85.250 58.660 -3.472 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 84.525 57.754 -4.445 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 52.318 7.589 63.162 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 52.551 8.325 62.596 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 51.364 7.539 63.110 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 50.469 18.011 36.271 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 49.757 17.404 36.068 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 51.210 17.691 35.757 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 88.496 37.893 41.103 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 88.188 38.778 41.296 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 89.017 37.647 41.867 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 23.444 74.172 -11.132 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 24.331 74.533 -11.139 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 23.422 73.605 -10.361 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 20.951 73.036 29.300 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 21.072 73.575 28.518 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 21.670 73.289 29.879 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 25.609 68.984 39.975 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 25.633 68.253 39.357 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 25.862 69.746 39.455 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 48.846 53.022 46.990 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 49.002 52.509 46.197 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 49.103 53.913 46.753 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 22.949 58.364 4.838 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 22.928 57.448 4.563 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 23.355 58.346 5.705 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 20.643 55.952 56.401 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 21.187 56.487 56.980 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 20.044 56.575 55.990 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 22.910 28.584 43.605 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 22.243 28.718 42.932 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 22.927 29.407 44.093 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 74.751 75.225 -1.998 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 74.036 74.589 -1.978 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 75.184 75.126 -1.151 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 72.364 82.393 19.884 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 71.982 82.143 19.043 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 73.224 81.973 19.892 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 30.051 0.714 58.253 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 29.605 0.452 59.058 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 29.407 0.562 57.561 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 26.971 63.363 62.129 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 27.921 63.427 62.231 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 26.658 63.062 62.982 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 59.301 46.542 -5.043 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 58.669 46.741 -4.353 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 60.006 46.074 -4.596 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 77.112 28.575 -13.044 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 76.374 29.056 -12.670 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 76.717 27.796 -13.436 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 79.420 82.105 -12.112 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 79.976 82.415 -11.397 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 78.883 81.418 -11.717 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 38.034 94.573 46.260 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 38.119 93.799 45.703 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 38.913 94.951 46.282 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 28.310 78.859 58.918 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 28.823 78.550 59.664 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 28.634 79.745 58.755 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 55.189 3.245 56.656 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 54.498 3.900 56.557 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 54.745 2.407 56.524 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 28.873 44.121 -13.906 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 29.167 43.987 -13.005 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 29.415 44.840 -14.230 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 33.986 39.531 19.562 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 33.215 39.931 19.964 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 34.447 39.115 20.290 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 87.069 95.035 10.366 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 86.515 94.607 9.713 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 86.674 94.800 11.206 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 29.704 75.416 12.164 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 28.767 75.538 12.314 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 30.105 75.562 13.022 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 32.992 42.620 43.351 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 33.124 41.684 43.501 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 32.626 42.672 42.467 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 59.815 88.011 23.436 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 60.469 88.407 24.013 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 59.607 87.173 23.848 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 23.916 54.409 18.913 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 24.712 54.883 18.672 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 23.641 53.976 18.105 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 22.729 82.162 54.966 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 22.113 81.838 54.308 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 22.539 81.644 55.748 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 85.462 83.819 59.311 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 85.440 83.507 58.406 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 86.312 83.530 59.644 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 21.381 79.861 -6.259 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 21.720 79.322 -6.973 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 20.684 79.333 -5.869 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 23.336 91.887 65.766 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 23.259 90.969 66.027 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 22.473 92.110 65.416 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 65.837 90.645 62.079 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 64.918 90.678 62.345 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 66.049 89.712 62.063 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 29.291 26.644 60.630 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 28.436 27.073 60.654 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 29.718 26.915 61.443 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 27.883 93.946 51.289 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 28.224 93.052 51.279 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 28.612 94.484 50.980 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 41.456 37.967 44.883 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 42.407 37.869 44.932 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 41.192 37.391 44.166 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 65.237 80.878 -20.047 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 64.979 81.680 -19.592 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 65.157 80.190 -19.387 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 66.943 16.960 23.259 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 66.414 16.964 24.057 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 66.571 17.658 22.721 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 32.112 20.947 32.029 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 32.065 21.430 32.854 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 31.505 21.405 31.447 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 64.247 11.458 8.335 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 64.105 11.836 9.203 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 64.980 10.854 8.454 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 84.419 82.848 1.018 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 85.001 83.071 1.744 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 83.712 82.345 1.422 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 87.191 83.090 27.253 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 87.700 82.316 27.011 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 87.830 83.802 27.270 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 27.101 57.908 -2.257 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 27.794 58.124 -2.881 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 26.509 57.335 -2.745 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 36.693 95.059 1.311 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 36.997 94.932 2.210 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 35.742 94.961 1.363 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 62.446 55.178 31.922 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 61.496 55.086 31.989 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 62.629 55.104 30.985 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 87.839 91.104 31.465 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 87.925 90.424 30.797 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 88.118 91.908 31.027 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 21.565 74.740 -2.494 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 21.917 75.555 -2.135 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 22.071 74.050 -2.064 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 23.482 19.631 -0.764 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 22.985 19.968 -0.019 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 23.642 20.399 -1.313 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 60.766 17.997 39.401 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 60.683 17.826 38.463 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 60.093 18.653 39.586 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 51.702 77.271 0.470 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 51.289 76.921 1.259 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 52.615 77.412 0.719 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 22.713 63.923 -18.568 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 22.874 64.728 -19.059 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 22.733 63.231 -19.229 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 36.383 1.109 36.209 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 35.632 1.153 36.800 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 36.386 1.956 35.762 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 25.505 88.114 41.986 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 25.712 87.255 42.353 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 25.198 88.627 42.733 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 71.729 1.279 -5.284 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 71.526 0.380 -5.026 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 72.640 1.406 -5.020 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 89.149 75.466 -2.190 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 88.792 75.502 -3.077 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 89.906 74.884 -2.259 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 31.554 35.783 5.067 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 32.238 35.159 4.825 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 30.768 35.460 4.628 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 68.981 27.974 44.520 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 69.439 27.964 45.361 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 69.675 27.874 43.868 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 48.911 67.939 -8.111 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 49.632 68.528 -7.889 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 48.313 68.000 -7.366 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 35.554 27.183 40.974 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 35.452 26.375 40.470 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 36.500 27.283 41.078 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 68.193 68.907 26.934 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 68.751 68.584 26.226 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 67.352 68.473 26.794 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 73.118 9.282 44.062 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 72.246 9.426 44.430 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 72.958 9.056 43.146 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 84.485 6.143 48.721 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 85.140 5.893 49.373 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 84.848 6.922 48.302 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 35.345 49.850 64.536 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 35.339 49.166 65.205 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 36.257 49.895 64.247 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 24.741 60.981 53.345 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 25.306 61.349 52.665 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 23.852 61.123 53.020 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 44.248 5.870 52.465 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 44.668 6.346 51.748 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 44.548 4.967 52.362 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 64.482 68.578 45.042 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 64.511 67.740 44.581 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 63.551 68.793 45.092 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 76.214 89.290 48.391 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 75.686 90.034 48.101 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 77.018 89.684 48.730 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 89.106 96.697 28.749 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 88.225 96.666 28.374 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 89.529 95.899 28.434 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 83.817 81.761 13.017 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 84.449 82.437 13.262 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 82.988 82.061 13.391 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 54.038 66.544 -7.771 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 53.688 66.025 -7.046 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 54.748 66.011 -8.127 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 70.906 17.086 39.335 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 70.345 16.711 38.656 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 71.294 16.327 39.771 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 28.604 83.911 4.931 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 29.339 84.449 4.637 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 28.713 83.854 5.881 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 27.610 74.326 -7.947 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 27.931 74.609 -7.091 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 27.882 73.411 -8.015 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 23.877 86.079 65.020 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 24.800 86.267 65.192 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 23.415 86.433 65.780 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 61.033 37.428 45.752 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 60.926 37.938 44.949 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 60.340 36.770 45.713 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 57.484 21.434 60.611 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 57.472 20.912 61.413 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 56.663 21.216 60.171 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 37.440 -0.075 -2.985 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 37.635 0.013 -2.052 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 37.115 0.787 -3.244 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 34.160 11.509 5.155 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 34.686 11.612 5.948 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 33.630 12.306 5.114 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 54.499 24.948 31.078 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 53.867 24.479 31.623 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 53.994 25.231 30.315 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 41.319 23.284 46.668 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 41.773 23.881 47.263 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 40.737 23.849 46.160 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 61.576 64.847 43.297 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 61.399 65.017 44.222 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 60.931 64.185 43.047 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 26.452 71.277 55.280 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 26.669 72.075 54.798 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 26.138 70.670 54.610 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 34.251 71.203 10.416 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 33.701 70.872 11.126 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 34.789 71.881 10.825 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 21.045 43.044 57.886 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 20.753 42.162 58.118 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 20.648 43.211 57.031 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 39.543 54.990 -14.979 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 40.240 55.434 -15.462 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 40.003 54.459 -14.328 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 41.079 80.226 35.657 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 41.386 79.322 35.597 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 41.492 80.670 34.916 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 44.513 87.566 59.105 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 43.980 88.342 59.278 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 44.896 87.344 59.954 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 80.457 94.029 26.856 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 79.731 94.398 27.360 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 81.243 94.312 27.326 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 24.218 93.331 63.290 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 24.618 94.146 63.593 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 23.784 92.975 64.066 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 74.327 78.940 54.384 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 75.213 79.068 54.725 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 74.439 78.905 53.434 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 77.006 27.020 -19.105 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 77.956 26.904 -19.091 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 76.777 27.016 -20.035 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 54.649 16.111 -19.607 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 55.438 16.542 -19.936 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 54.835 15.945 -18.683 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 79.531 75.510 1.002 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 80.216 75.919 0.473 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 79.297 76.177 1.647 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 73.790 36.095 26.143 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 73.140 35.392 26.117 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 74.363 35.920 25.396 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 85.976 86.300 0.460 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 85.717 86.403 1.376 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 86.583 85.560 0.464 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 65.399 20.072 -4.569 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 66.192 20.007 -4.037 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 65.606 20.737 -5.227 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 72.813 96.018 46.526 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 72.651 95.186 46.081 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 73.605 95.864 47.042 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 29.952 81.729 37.196 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 29.521 82.332 37.802 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 30.885 81.822 37.388 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 44.242 12.538 8.710 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 44.813 13.228 8.371 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 43.895 12.894 9.528 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 40.341 95.381 26.422 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 39.443 95.665 26.591 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 40.843 96.194 26.365 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 42.581 8.274 -4.723 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 41.706 8.658 -4.764 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 43.162 9.017 -4.559 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 29.073 41.027 25.524 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 29.888 41.518 25.422 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 28.787 40.848 24.629 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 31.666 33.942 -9.347 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 31.479 33.020 -9.167 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 31.037 34.423 -8.809 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 31.425 71.816 13.982 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 31.192 70.888 13.985 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 31.169 72.131 14.849 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 81.758 55.306 56.206 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 81.924 55.534 57.121 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 81.712 54.350 56.201 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 52.175 89.327 31.568 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 52.218 88.599 32.187 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 51.762 88.956 30.789 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 44.512 87.268 62.632 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 45.264 87.781 62.335 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 44.229 87.701 63.437 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 33.387 53.135 28.603 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 34.243 53.521 28.417 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 33.521 52.193 28.496 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 59.572 58.774 20.134 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 58.889 58.389 19.585 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 59.664 59.670 19.809 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 59.443 28.564 -10.154 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 59.260 28.220 -11.028 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 58.666 28.342 -9.641 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 23.183 0.890 1.802 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 23.352 0.707 2.726 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 22.736 0.107 1.480 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 83.941 96.961 -7.974 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 83.565 96.556 -7.192 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 84.426 96.254 -8.400 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 85.269 12.757 -7.720 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 85.655 12.109 -8.310 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 84.391 12.906 -8.071 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 37.853 63.878 58.921 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 36.925 64.092 58.822 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 38.097 64.256 59.766 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 52.134 92.743 41.280 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 51.494 92.189 41.727 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 52.522 92.174 40.616 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 69.025 87.802 25.443 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 69.426 87.253 26.118 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 69.276 87.388 24.617 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 22.597 54.271 45.313 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 23.305 54.898 45.169 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 22.564 53.757 44.506 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 59.622 56.756 41.524 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 58.911 57.146 41.017 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 59.200 56.072 42.044 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 47.671 49.494 33.751 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 47.250 49.908 32.998 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 47.492 48.560 33.642 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 79.445 15.067 42.853 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 79.301 14.308 42.288 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 78.704 15.645 42.672 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 22.217 88.140 62.738 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 22.930 87.592 62.411 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 22.053 87.817 63.624 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 82.081 94.047 -7.879 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 82.269 94.041 -6.940 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 81.335 94.639 -7.970 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 85.292 17.708 -2.977 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 84.344 17.749 -2.847 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 85.589 17.033 -2.366 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 23.013 75.416 -13.641 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 23.104 75.127 -12.734 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 23.909 75.589 -13.930 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 78.048 16.921 -5.466 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 77.775 17.259 -4.613 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 77.792 15.998 -5.451 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 79.644 46.039 18.724 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 79.137 45.821 19.506 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 78.997 46.385 18.109 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 46.294 92.769 39.470 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 45.874 93.330 38.818 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 45.719 92.006 39.536 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 43.542 79.425 1.252 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 43.186 79.029 0.457 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 44.454 79.135 1.276 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 34.793 82.434 32.142 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 33.926 82.642 32.490 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 34.651 81.668 31.587 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 64.035 62.238 -5.089 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 63.284 61.730 -4.782 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 64.475 62.526 -4.289 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 28.384 86.471 34.735 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 29.173 86.032 34.419 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 28.534 86.589 35.673 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 68.162 43.011 27.672 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 67.264 42.829 27.951 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 68.498 43.622 28.327 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 63.112 9.090 61.714 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 62.732 8.262 62.008 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 63.502 9.468 62.502 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 55.102 87.125 -5.431 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 54.667 87.977 -5.452 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 54.407 86.506 -5.206 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 61.904 29.573 31.826 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 62.379 30.369 32.065 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 61.130 29.886 31.358 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 22.917 13.001 58.649 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 21.968 13.121 58.681 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 23.197 13.057 59.562 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 89.133 12.816 54.067 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 89.307 13.264 53.239 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 89.848 13.090 54.643 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 24.664 63.059 33.423 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 24.578 63.884 32.946 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 25.607 62.948 33.544 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 45.574 80.948 29.435 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 46.171 80.242 29.187 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 45.655 81.590 28.731 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 33.258 65.266 -18.677 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 33.300 65.116 -17.733 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 32.359 65.037 -18.916 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 47.357 83.328 32.828 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 47.671 82.732 33.508 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 46.620 82.868 32.427 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 81.216 86.119 59.783 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 81.797 85.701 59.147 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 80.759 86.795 59.282 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 36.824 19.103 -9.874 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 35.943 18.923 -9.546 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 37.406 18.679 -9.243 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 65.589 88.865 -17.320 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 65.837 89.768 -17.120 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 64.693 88.785 -16.994 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 79.840 59.463 13.756 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 80.622 59.236 14.260 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 79.156 58.891 14.104 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 50.795 92.573 60.741 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 50.617 92.087 59.935 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 50.660 93.490 60.503 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 71.478 81.108 -7.583 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 71.777 80.367 -7.055 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 72.130 81.791 -7.427 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 76.148 53.879 23.851 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 75.274 54.090 23.521 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 76.033 53.054 24.321 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 77.261 20.417 55.494 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 76.559 19.899 55.100 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 77.398 21.140 54.881 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 80.871 26.538 56.874 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 80.027 26.160 56.627 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 81.155 27.018 56.096 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 32.450 50.166 30.842 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 32.296 49.239 30.660 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 32.446 50.583 29.980 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 34.900 24.149 40.371 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 35.055 24.035 39.434 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 34.002 23.844 40.504 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 34.788 75.648 38.373 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 34.375 75.390 37.549 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 34.891 76.597 38.303 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 41.251 93.631 13.013 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 42.127 93.312 12.796 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 40.747 93.516 12.207 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 87.380 17.571 -18.651 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 87.549 17.529 -17.710 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 87.963 16.913 -19.029 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 21.286 53.803 -4.209 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 21.047 53.028 -3.700 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 20.874 53.665 -5.062 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 75.593 33.176 24.359 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 75.390 33.163 23.424 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 76.080 33.990 24.488 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 64.962 72.180 27.258 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 64.182 72.161 26.704 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 64.817 72.915 27.853 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 28.710 13.800 40.058 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 28.715 13.382 39.197 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 28.586 13.079 40.675 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 75.583 91.823 -0.346 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 75.554 92.339 -1.152 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 75.265 92.420 0.332 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 31.600 90.542 13.323 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 31.664 91.338 12.796 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 31.853 90.818 14.204 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 52.363 11.401 35.891 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 52.132 12.276 36.204 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 53.308 11.438 35.748 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 32.681 12.907 25.230 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 32.789 12.484 24.378 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 31.745 12.834 25.417 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 32.607 93.130 56.877 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 33.328 93.231 56.256 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 32.235 94.008 56.958 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 56.526 24.502 15.213 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 55.667 24.082 15.244 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 56.575 25.007 16.025 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 63.272 88.833 -15.800 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 62.700 88.605 -16.532 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 63.128 88.138 -15.157 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 27.172 75.661 55.831 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 26.478 75.515 56.474 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 27.704 76.362 56.208 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 53.734 91.839 13.062 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 54.613 92.056 13.373 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 53.794 90.921 12.797 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 19.986 77.736 4.989 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 20.384 77.220 5.690 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 20.724 78.179 4.569 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 81.266 48.085 -5.696 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 81.292 49.000 -5.977 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 80.422 47.761 -6.012 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 28.385 94.309 54.021 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 29.270 93.944 54.018 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 28.031 94.086 53.160 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 71.778 42.247 0.619 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 71.934 42.976 1.219 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 72.445 41.600 0.850 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 31.337 80.985 56.013 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 30.490 80.549 55.917 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 31.546 81.300 55.134 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 28.670 70.685 -17.557 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 28.697 70.037 -18.261 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 28.924 70.199 -16.773 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 87.371 41.626 63.775 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 88.017 41.232 64.362 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 87.885 42.189 63.196 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 43.229 57.436 64.447 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 43.867 58.116 64.665 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 43.112 57.512 63.500 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 70.980 9.832 36.064 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 71.810 10.034 36.496 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 70.521 10.671 36.024 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 31.401 1.376 64.882 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 31.448 0.454 64.630 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 32.287 1.590 65.173 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 49.945 66.329 62.909 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 50.195 66.454 63.824 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 50.335 67.073 62.450 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 71.686 91.111 -10.921 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 71.430 90.925 -11.824 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 71.572 90.278 -10.463 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 22.450 79.896 49.531 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 22.780 79.658 48.664 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 21.500 79.932 49.424 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 76.760 90.992 -7.400 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 76.620 91.285 -6.500 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 75.913 90.639 -7.672 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 83.041 63.552 64.961 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 83.653 63.727 65.677 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 82.497 64.338 64.914 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 68.446 60.062 -10.247 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 69.044 60.031 -10.994 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 68.861 60.667 -9.633 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 82.643 53.888 34.226 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 81.943 54.537 34.163 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 83.136 53.987 33.412 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 43.331 22.921 -9.894 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 42.513 22.532 -10.202 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 43.484 22.515 -9.041 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 44.625 52.270 52.436 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 43.811 52.533 52.007 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 44.448 51.389 52.766 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 38.818 76.607 64.254 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 39.160 76.113 63.510 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 38.844 75.990 64.985 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 56.022 54.673 59.999 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 55.606 54.512 59.152 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 55.500 55.372 60.394 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 87.078 33.972 30.771 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 88.021 33.928 30.614 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 86.969 33.655 31.668 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 39.533 24.194 6.975 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 39.210 23.299 7.073 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 38.809 24.745 7.273 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 88.130 18.237 5.877 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 88.293 18.148 6.816 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 87.177 18.201 5.794 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 78.012 75.218 46.386 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 78.312 75.993 46.860 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 77.651 74.647 47.064 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 87.084 1.834 -6.845 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 86.245 1.447 -6.595 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 86.853 2.540 -7.448 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 86.854 36.761 -9.388 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 86.619 37.674 -9.551 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 87.696 36.807 -8.936 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 28.744 4.736 67.413 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 29.424 4.305 66.896 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 27.942 4.616 66.903 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 56.406 26.441 -6.542 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 55.880 26.158 -5.793 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 57.015 25.718 -6.694 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 45.964 93.154 31.451 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 45.718 93.869 30.865 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 45.155 92.932 31.911 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 68.687 46.117 59.745 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 69.304 46.310 59.039 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 68.322 46.969 59.985 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 24.081 47.940 2.960 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 24.283 47.203 2.384 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 24.525 48.687 2.559 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 51.792 91.975 32.003 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 52.321 91.283 31.605 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 51.630 91.670 32.896 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 81.535 70.227 8.108 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 80.591 70.219 7.949 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 81.694 69.456 8.651 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 22.239 73.440 22.398 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 21.665 73.171 21.682 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 21.806 73.117 23.188 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 36.724 81.481 47.446 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 36.981 82.392 47.301 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 36.359 81.198 46.608 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 22.466 70.800 50.426 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 23.380 70.760 50.707 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 22.438 70.279 49.624 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 23.241 15.714 47.704 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 22.785 16.409 47.231 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 23.148 14.941 47.147 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 89.697 28.113 18.875 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 89.323 28.954 19.137 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 89.174 27.844 18.119 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 54.154 96.198 45.266 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 54.184 97.064 44.860 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 55.066 95.907 45.276 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 62.730 71.589 62.232 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 62.743 71.105 63.058 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 63.532 71.322 61.784 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 42.464 5.609 2.967 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 43.272 5.411 3.441 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 42.252 6.507 3.220 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 30.797 10.264 55.099 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 31.075 10.896 55.761 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 31.613 9.895 54.761 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 33.085 33.944 40.879 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 32.775 34.723 41.341 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 32.528 33.236 41.201 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 31.225 12.883 52.436 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 31.786 12.207 52.814 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 30.883 12.490 51.633 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 52.253 83.555 3.704 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 52.205 82.820 3.091 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 51.503 84.105 3.477 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 72.760 28.185 -4.745 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 73.054 27.395 -4.291 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 72.067 28.537 -4.187 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 39.520 71.931 -18.977 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 39.207 72.696 -18.495 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 40.390 71.758 -18.615 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 87.602 13.034 41.105 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 87.684 12.693 41.996 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 88.473 12.926 40.725 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 46.029 83.870 19.863 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 45.539 83.151 19.464 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 45.897 83.757 20.805 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 30.303 29.185 -15.481 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 30.454 30.125 -15.381 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 31.156 28.785 -15.311 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 50.595 73.866 63.117 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 51.391 74.399 63.115 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 49.915 74.449 62.779 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 64.631 70.264 29.504 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 64.495 69.510 28.930 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 64.233 70.998 29.036 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 77.166 74.712 -6.045 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 77.663 74.067 -6.548 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 76.978 74.275 -5.214 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 68.621 71.894 63.192 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 68.805 71.209 62.549 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 67.666 71.924 63.244 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 71.490 82.130 25.366 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 70.917 82.001 24.610 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 72.236 81.553 25.203 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 24.966 91.810 58.817 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 25.801 91.342 58.838 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 24.752 91.878 57.887 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 26.930 83.930 65.099 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 26.165 83.492 64.726 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 26.622 84.812 65.310 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 68.733 88.643 30.102 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 68.309 88.791 30.947 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 68.922 87.704 30.089 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 53.381 1.718 -6.892 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 54.316 1.522 -6.942 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 53.336 2.674 -6.882 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 33.686 79.461 42.762 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 33.785 78.766 43.413 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 34.326 79.247 42.083 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 77.723 9.700 49.634 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 78.675 9.654 49.546 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 77.561 10.543 50.058 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 26.202 71.858 -9.977 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 26.009 70.921 -10.011 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 25.372 72.266 -9.731 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 31.228 31.989 13.280 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 31.885 32.683 13.337 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 30.636 32.159 14.013 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 70.981 -0.123 8.130 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 70.073 0.179 8.144 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 71.343 0.239 7.321 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 88.199 35.860 66.514 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 88.482 36.687 66.125 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 87.490 35.558 65.947 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 30.789 67.443 -15.769 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 30.692 68.300 -15.354 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 31.623 67.495 -16.236 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 70.932 72.103 64.583 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 70.127 72.070 64.067 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 70.654 71.896 65.475 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 87.076 71.865 -17.529 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 86.310 71.369 -17.817 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 86.936 71.998 -16.591 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 87.214 57.807 15.138 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 87.834 58.510 15.331 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 87.002 57.923 14.211 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 47.286 59.477 -4.025 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 47.712 59.311 -3.184 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 47.006 58.613 -4.327 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 45.612 55.455 29.369 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 45.793 54.718 28.786 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 45.707 56.229 28.814 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 23.577 77.452 -16.815 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 24.293 77.088 -17.334 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 23.965 77.624 -15.957 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 80.040 2.970 62.866 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 80.995 2.958 62.916 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 79.847 3.437 62.053 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 88.019 48.318 -13.220 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 87.384 47.827 -13.741 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 88.822 47.798 -13.267 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 85.528 65.253 43.981 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 84.874 64.578 43.796 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 86.204 64.800 44.485 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 76.902 23.509 1.727 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 76.955 24.088 0.967 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 77.806 23.423 2.028 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 29.224 78.476 14.209 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 28.734 78.873 14.929 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 29.788 77.828 14.631 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 77.991 62.960 -13.257 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 78.862 63.340 -13.368 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 77.417 63.712 -13.114 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 76.916 73.052 53.353 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 76.294 73.380 54.002 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 77.577 73.741 53.286 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 62.591 8.376 41.383 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 62.485 9.186 40.885 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 62.565 8.651 42.299 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 20.488 75.476 -9.179 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 21.191 75.773 -8.601 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 20.651 75.926 -10.007 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 88.671 32.188 6.186 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 88.397 32.408 7.076 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 89.527 31.773 6.294 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 88.926 51.824 -18.193 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 88.749 51.513 -17.305 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 88.781 51.058 -18.749 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 44.886 34.660 -6.229 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 45.412 34.193 -5.581 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 45.254 35.543 -6.246 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 66.867 63.995 -8.616 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 66.444 64.248 -7.796 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 66.143 63.753 -9.194 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 63.808 51.443 59.535 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 63.507 51.975 60.272 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 63.340 51.795 58.778 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 45.636 47.844 -11.780 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 45.490 48.624 -12.314 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 45.916 48.183 -10.930 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 43.997 90.289 24.988 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 44.609 91.021 25.068 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 43.132 90.689 25.080 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 81.363 42.323 -9.660 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 80.500 42.674 -9.882 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 81.734 42.965 -9.054 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 26.449 82.127 -17.362 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 25.740 81.569 -17.680 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 26.817 82.522 -18.153 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 88.903 63.924 52.607 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 88.621 63.020 52.746 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 88.915 64.309 53.483 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 27.572 82.736 67.433 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 28.499 82.541 67.293 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 27.236 82.944 66.561 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 69.094 60.905 -17.025 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 68.361 60.956 -17.638 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 69.868 60.821 -17.582 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 22.488 80.307 35.659 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 22.056 80.476 34.821 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 21.902 80.689 36.312 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 85.694 96.245 54.189 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 85.096 96.200 54.935 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 85.315 96.914 53.618 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 66.683 26.804 26.806 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 66.352 26.810 25.908 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 65.990 27.216 27.321 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 48.712 27.457 2.390 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 47.988 27.936 2.794 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 49.191 27.081 3.128 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 29.123 60.385 18.137 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 29.537 61.225 17.941 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 29.817 59.864 18.542 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 81.288 28.169 -2.846 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 81.035 28.056 -3.763 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 81.420 29.112 -2.749 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 75.727 60.018 -5.828 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 75.986 59.106 -5.701 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 75.826 60.167 -6.768 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 71.655 14.841 -14.134 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 72.002 15.030 -15.006 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 71.902 15.601 -13.608 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 61.353 59.328 -1.064 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 60.468 59.366 -0.702 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 61.509 60.207 -1.410 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 70.300 20.709 49.883 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 70.500 21.354 49.205 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 70.064 19.917 49.399 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 34.411 1.831 -9.912 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 33.869 1.991 -9.140 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 33.804 1.478 -10.563 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 79.032 68.440 34.342 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 79.282 68.703 33.456 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 78.351 67.779 34.213 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 44.533 39.749 25.497 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 45.265 39.322 25.050 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 44.532 40.643 25.156 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 39.449 69.081 9.955 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 39.261 68.540 10.722 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 40.139 68.606 9.490 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 20.725 68.835 56.673 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 20.544 68.072 56.124 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 21.514 68.598 57.161 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 21.060 25.028 65.359 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 20.458 24.382 64.988 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 21.681 25.209 64.654 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 30.648 0.270 25.198 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 29.867 -0.125 25.585 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 31.084 0.708 25.930 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 43.469 79.181 14.349 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 43.745 78.395 14.819 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 43.183 78.861 13.493 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 80.008 36.325 44.981 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 80.947 36.326 45.168 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 79.916 36.882 44.208 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 75.126 15.704 52.030 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 75.413 14.806 52.196 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 74.180 15.685 52.175 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 30.449 50.505 -1.529 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 31.030 49.844 -1.907 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 30.127 50.106 -0.720 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 66.520 10.488 48.818 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 66.971 11.328 48.903 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 66.429 10.359 47.874 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 40.001 39.490 28.832 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 40.514 38.949 28.232 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 40.574 39.622 29.587 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 36.117 28.471 8.039 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 36.986 28.588 8.422 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 35.607 29.209 8.374 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 84.975 7.778 -17.897 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 84.190 8.149 -18.302 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 85.035 8.214 -17.047 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 29.853 22.116 6.699 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 30.768 22.023 6.433 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 29.456 22.649 6.010 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 47.758 15.804 -5.307 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 47.118 16.207 -5.894 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 47.354 14.978 -5.042 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 61.051 1.213 36.406 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 61.245 2.042 36.843 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 60.125 1.055 36.590 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 85.058 62.234 32.200 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 84.750 61.397 31.854 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 85.527 62.638 31.469 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 65.802 2.776 19.512 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 66.570 2.473 19.997 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 65.325 1.976 19.293 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 57.378 11.648 38.458 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 57.122 12.062 39.282 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 57.594 12.379 37.879 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 38.105 49.022 33.799 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 38.197 49.516 32.984 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 38.162 48.105 33.531 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 53.198 51.995 48.651 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 52.516 52.513 49.078 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 53.136 52.231 47.726 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 81.080 80.470 31.607 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 80.489 81.150 31.928 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 81.020 80.531 30.653 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 73.333 33.549 37.204 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 73.672 34.442 37.267 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 72.717 33.577 36.473 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 27.697 41.981 27.808 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 28.148 41.725 27.003 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 26.892 42.401 27.508 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 69.352 66.519 59.974 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 69.840 65.698 59.902 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 68.519 66.342 59.537 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 72.569 58.145 -10.391 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 71.753 57.774 -10.727 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 72.887 57.497 -9.762 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 66.782 65.283 18.886 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 66.593 64.355 19.026 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 67.119 65.326 17.991 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 77.818 69.750 -14.499 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 78.277 68.916 -14.390 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 78.076 70.267 -13.736 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 65.825 23.245 48.500 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 65.321 24.054 48.591 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 66.472 23.440 47.822 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 36.937 66.514 30.037 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 37.818 66.479 29.663 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 36.422 65.918 29.493 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 84.841 64.692 -15.676 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 85.159 63.945 -15.169 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 84.216 65.127 -15.096 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 86.929 74.779 55.136 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 86.696 75.622 55.523 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 87.770 74.556 55.536 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 50.756 17.951 26.769 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 51.387 18.651 26.935 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 49.918 18.310 27.062 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 49.077 66.725 12.318 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 49.463 67.308 12.971 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 49.645 65.955 12.318 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 62.794 76.069 4.942 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 62.486 76.084 5.848 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 63.351 75.292 4.890 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 54.486 56.811 0.811 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 53.958 56.583 1.577 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 54.398 57.760 0.733 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 39.025 10.023 -6.082 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 39.377 10.243 -6.945 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 38.288 9.440 -6.266 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 25.614 85.442 43.249 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 24.990 85.146 42.585 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 26.451 85.068 42.975 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 79.272 51.553 -13.970 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 78.415 51.128 -13.958 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 79.489 51.628 -14.900 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 28.706 40.544 49.307 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 28.513 40.646 48.375 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 27.850 40.566 49.734 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 38.715 25.759 66.226 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 38.818 25.929 67.163 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 38.318 24.889 66.182 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 35.012 66.336 66.945 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 34.367 66.095 67.610 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 34.968 65.630 66.300 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 68.419 76.721 17.576 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 68.502 77.330 16.843 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 67.512 76.418 17.535 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 23.772 54.571 51.810 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 23.007 54.271 52.301 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 24.386 53.838 51.849 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 55.849 36.535 12.314 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 54.945 36.851 12.319 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 55.967 36.131 13.173 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 48.914 77.268 -4.403 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 49.158 77.640 -5.251 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 49.682 77.411 -3.849 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 68.846 16.333 65.126 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 68.357 15.642 64.679 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 68.393 16.447 65.961 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 30.396 86.845 56.715 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 29.913 87.583 56.343 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 29.717 86.246 57.025 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 28.926 57.176 -15.000 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 28.264 56.491 -15.093 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 29.752 56.741 -15.213 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 38.700 6.913 30.064 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 38.537 7.830 30.284 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 38.130 6.420 30.654 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 64.079 93.071 51.107 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 64.203 92.344 51.717 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 63.291 93.515 51.421 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 71.627 94.852 22.739 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 71.329 95.759 22.661 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 70.826 94.348 22.884 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 53.103 79.494 47.704 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 52.606 78.768 48.084 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 52.663 79.677 46.874 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 45.325 58.887 65.325 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 45.870 59.203 66.046 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 45.934 58.772 64.596 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 67.713 69.275 10.757 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 67.079 68.568 10.641 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 67.585 69.840 9.996 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 44.646 29.547 59.746 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 43.962 29.425 60.404 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 44.173 29.782 58.948 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 51.482 72.304 -6.450 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 51.424 72.976 -7.129 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 52.274 71.812 -6.667 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 83.591 87.945 55.782 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 84.447 87.519 55.833 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 83.557 88.507 56.556 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 74.482 -0.216 63.345 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 73.967 -0.088 62.548 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 74.458 0.634 63.785 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 26.248 33.946 -4.682 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 25.526 34.251 -5.232 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 26.765 34.732 -4.508 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 24.185 74.098 27.671 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 23.488 73.677 27.168 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 24.777 73.383 27.905 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 25.465 51.379 46.160 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 25.753 50.583 45.714 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 25.960 52.082 45.740 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 46.269 67.398 55.646 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 46.710 68.245 55.590 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 46.964 66.780 55.872 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 29.195 78.021 30.388 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 29.921 78.269 30.960 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 29.544 78.119 29.501 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 22.235 20.536 62.240 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 21.871 20.952 63.021 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 23.171 20.731 62.278 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 42.733 88.659 40.027 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 42.370 88.011 40.630 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 43.575 88.293 39.759 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 47.417 50.179 -18.928 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 47.938 49.970 -19.703 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 47.587 49.458 -18.323 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 45.074 85.981 22.381 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 44.734 85.173 21.996 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 45.439 86.465 21.641 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 77.209 29.439 50.340 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 77.696 28.726 50.752 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 77.792 29.763 49.654 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 53.794 88.732 -14.486 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 53.784 88.242 -15.309 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 54.716 88.755 -14.231 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 37.870 20.787 20.453 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 37.779 20.328 19.618 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 38.426 21.540 20.254 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 70.155 86.580 21.076 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 69.756 86.112 21.810 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 69.421 87.010 20.638 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 83.968 41.872 58.825 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 83.783 40.939 58.710 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 83.139 42.245 59.123 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 38.278 64.167 53.683 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 37.895 63.569 53.042 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 38.683 64.856 53.157 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 57.541 70.667 65.175 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 57.341 71.339 65.826 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 57.164 71.002 64.361 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 57.726 7.910 37.344 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 57.530 7.083 36.903 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 58.429 8.298 36.824 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 59.130 82.479 19.836 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 59.923 82.114 19.445 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 59.007 81.978 20.642 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 70.238 85.426 12.828 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 69.667 85.620 12.084 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 69.644 85.358 13.575 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 22.070 90.041 16.383 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 21.901 89.881 17.311 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 22.559 89.271 16.092 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 31.202 92.966 15.045 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 31.103 92.165 15.560 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 32.143 93.031 14.881 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 72.660 65.700 2.886 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 73.510 65.403 3.209 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 72.579 65.300 2.020 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 60.549 73.691 40.084 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 60.533 73.634 41.040 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 59.757 73.232 39.803 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 39.418 92.149 44.914 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 39.810 92.847 44.390 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 39.235 91.450 44.285 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 85.302 35.026 23.569 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 86.215 35.196 23.800 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 84.822 35.772 23.930 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 38.037 66.196 -20.120 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 37.081 66.221 -20.098 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 38.310 66.901 -19.534 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 29.552 2.030 4.144 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 30.504 2.124 4.102 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 29.413 1.135 4.454 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 49.830 6.861 20.661 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 50.444 6.297 20.191 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 48.965 6.547 20.397 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 79.288 63.648 13.091 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 79.221 63.059 12.339 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 78.531 64.228 13.010 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 51.297 78.549 18.152 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 51.820 78.780 17.384 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 51.885 78.692 18.894 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 69.189 56.825 66.118 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 69.659 57.621 65.871 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 68.271 57.091 66.158 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 38.722 45.133 35.982 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 38.085 44.652 36.510 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 39.565 44.949 36.397 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 80.655 88.698 28.068 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 81.518 89.075 27.895 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 80.207 89.358 28.597 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 82.598 28.988 18.093 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 83.017 29.052 18.951 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 82.644 29.874 17.736 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 36.451 86.275 16.577 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 35.497 86.194 16.594 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 36.770 85.375 16.644 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 32.231 6.529 -11.498 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 32.789 5.854 -11.885 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 32.510 6.576 -10.584 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 69.536 75.908 -4.697 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 69.296 75.046 -4.357 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 69.211 75.911 -5.597 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 59.908 33.994 -1.676 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 60.366 34.688 -1.201 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 59.201 33.728 -1.089 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 56.438 29.222 55.539 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 56.310 28.749 54.717 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 56.468 30.144 55.284 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 42.368 7.999 4.070 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 42.585 8.923 4.189 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 42.276 7.657 4.960 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 56.671 12.093 41.572 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 56.424 11.473 42.259 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 56.971 12.869 42.046 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 63.329 72.489 55.750 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 62.532 71.996 55.553 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 63.536 72.945 54.934 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 24.558 76.302 10.096 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 25.168 76.319 10.834 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 24.145 77.166 10.106 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 54.645 35.088 1.380 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 54.158 34.266 1.444 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 54.127 35.713 1.888 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 23.401 81.959 12.988 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 22.700 82.321 12.447 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 23.029 81.158 13.358 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 40.573 65.884 54.800 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 40.068 65.275 55.339 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 41.236 65.338 54.378 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 27.594 70.082 17.966 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 28.282 69.426 17.849 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 27.952 70.694 18.609 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 77.561 62.205 60.632 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 77.394 61.636 59.881 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 76.891 61.961 61.271 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 47.576 54.489 57.900 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 47.808 55.365 57.591 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 47.959 54.434 58.775 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 39.907 70.955 64.939 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 39.353 71.541 65.453 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 40.673 71.483 64.716 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 20.490 65.867 47.563 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 20.014 65.518 48.316 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 20.300 65.252 46.854 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 41.827 47.796 16.138 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 42.763 47.675 15.980 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 41.746 48.711 16.408 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 27.783 65.311 11.035 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 27.915 64.864 11.871 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 28.447 66.000 11.024 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 87.428 23.430 12.763 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 86.513 23.361 12.492 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 87.832 22.619 12.454 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 67.948 84.230 -12.015 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 68.896 84.220 -12.148 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 67.582 84.248 -12.899 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 83.241 80.812 46.172 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 82.997 79.889 46.236 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 82.911 81.205 46.981 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 34.361 60.782 3.934 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 34.929 61.122 4.626 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 33.637 60.365 4.401 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 24.729 51.424 36.474 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 24.449 50.585 36.108 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 24.137 52.066 36.082 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 76.472 8.560 42.785 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 77.397 8.644 42.555 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 76.310 9.278 43.397 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 77.665 86.623 -1.258 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 78.484 86.273 -0.906 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 77.010 86.418 -0.592 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 31.451 40.744 17.657 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 31.333 41.670 17.868 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 32.355 40.554 17.907 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 70.506 82.390 37.878 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 70.591 81.850 38.663 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 69.705 82.078 37.457 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 24.829 62.237 6.404 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 24.894 63.048 6.908 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 25.438 62.358 5.675 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 32.321 38.077 29.714 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 32.934 37.924 28.994 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 32.038 38.984 29.598 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 69.284 93.795 47.645 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 68.702 93.307 48.227 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 69.084 93.462 46.770 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 49.144 5.104 -6.658 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 49.863 5.128 -7.289 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 49.559 5.287 -5.815 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 58.033 89.048 55.904 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 58.011 88.145 55.588 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 58.753 89.454 55.422 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 67.778 94.649 51.552 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 67.381 94.479 52.407 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 68.629 95.038 51.756 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 25.888 39.440 43.961 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 25.873 40.358 44.232 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 25.486 39.439 43.093 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 54.364 30.340 -7.146 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 54.865 31.155 -7.172 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 53.455 30.614 -7.266 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 25.621 75.676 26.140 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 25.066 75.278 26.811 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 25.015 75.913 25.438 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 37.582 74.907 26.017 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 37.988 74.063 26.217 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 37.542 75.359 26.860 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 68.217 26.647 22.333 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 68.553 27.241 21.661 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 68.981 26.139 22.606 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 51.785 32.370 63.607 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 52.251 32.773 64.339 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 51.266 33.082 63.232 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 88.999 10.597 63.565 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 88.811 10.940 62.691 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 89.916 10.824 63.719 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 76.175 92.613 58.036 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 75.306 92.932 58.278 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 76.184 92.643 57.079 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 60.067 12.064 64.647 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 60.575 12.757 65.070 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 59.841 11.465 65.359 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 25.215 35.795 34.731 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 24.781 35.721 33.881 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 24.501 35.766 35.368 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 81.290 79.981 -4.827 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 80.776 80.781 -4.940 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 81.404 79.901 -3.880 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 69.881 83.471 57.576 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 69.883 82.615 58.006 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 69.325 83.351 56.806 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 74.452 90.975 8.809 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 74.667 91.890 8.626 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 74.426 90.558 7.948 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 54.542 77.081 27.481 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 54.342 77.108 26.545 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 54.095 76.297 27.799 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 45.752 12.558 31.673 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 46.146 11.686 31.667 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 45.463 12.697 30.771 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 82.187 88.792 -14.745 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 82.794 88.653 -14.019 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 82.610 88.375 -15.496 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 55.675 0.823 60.044 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 55.856 -0.094 59.839 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 56.155 0.987 60.856 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 22.726 52.944 35.112 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 21.838 52.828 35.450 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 22.608 53.072 34.170 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 55.775 76.032 -14.349 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 56.711 76.015 -14.152 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 55.435 75.221 -13.973 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 21.426 49.473 58.375 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 20.954 50.048 57.773 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 21.457 48.629 57.924 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 25.686 48.463 28.254 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 25.212 49.100 27.720 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 26.272 48.023 27.639 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 68.554 30.259 -5.236 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 68.099 30.549 -6.027 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 67.943 29.654 -4.816 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 40.421 75.664 -8.857 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 40.179 75.161 -8.080 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 41.023 76.334 -8.532 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 86.551 52.105 49.540 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 85.836 52.300 48.934 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 86.115 51.909 50.369 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 22.232 61.480 61.472 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 21.298 61.690 61.499 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 22.486 61.634 60.562 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 23.680 68.362 33.158 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 22.845 68.362 33.626 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 23.687 67.533 32.679 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 90.519 42.155 -12.567 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 90.706 42.553 -11.717 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 89.645 42.472 -12.793 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 78.786 87.423 -4.204 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 79.228 87.314 -5.046 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 79.292 86.884 -3.596 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 27.153 70.020 21.056 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 27.752 69.282 21.172 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 26.341 69.739 21.478 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 22.701 39.314 54.645 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 23.591 39.151 54.333 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 22.800 40.004 55.301 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 71.007 80.143 65.936 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 70.256 80.336 66.496 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 70.644 80.110 65.051 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 48.674 80.326 8.614 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 49.411 79.990 8.104 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 48.228 79.542 8.936 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 72.480 38.391 35.644 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 73.281 38.342 36.165 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 72.344 39.328 35.501 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 47.783 19.508 -6.562 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 48.294 19.304 -5.778 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 47.663 18.663 -6.996 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 44.648 92.134 -4.364 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 45.503 92.278 -4.769 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 44.105 91.781 -5.069 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 78.285 70.887 32.015 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 78.305 71.842 31.959 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 77.737 70.702 32.778 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 23.394 81.933 66.491 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 22.672 81.465 66.072 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 24.112 81.880 65.860 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 49.733 92.086 -13.357 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 49.932 92.898 -12.890 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 50.088 91.395 -12.798 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 62.844 74.345 22.786 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 62.621 73.636 23.389 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 62.001 74.638 22.438 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 63.126 48.963 57.128 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 62.769 48.434 56.414 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 62.357 49.341 57.554 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 51.372 39.438 56.768 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 51.483 38.491 56.860 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 51.810 39.806 57.535 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 47.313 73.572 -16.826 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 46.799 73.376 -17.609 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 47.197 74.513 -16.692 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 55.416 0.892 11.251 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 56.027 0.884 10.514 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 54.765 0.226 11.031 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 62.097 79.230 26.763 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 62.462 78.506 27.270 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 61.273 78.888 26.415 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 80.650 94.939 59.717 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 81.451 94.694 60.182 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 80.343 95.726 60.167 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 35.200 78.178 60.424 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 36.047 77.745 60.315 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 34.608 77.479 60.705 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 61.487 30.870 -18.583 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 61.187 31.762 -18.759 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 61.318 30.740 -17.650 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 64.720 68.431 51.654 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 64.247 67.627 51.869 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 65.242 68.204 50.885 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 45.286 39.979 36.104 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 45.805 39.911 35.303 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 45.890 40.340 36.752 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 66.659 57.871 65.999 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 66.377 58.463 66.697 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 66.079 58.072 65.265 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 57.850 11.062 -18.260 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 58.729 11.291 -17.961 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 57.708 11.609 -19.033 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 48.817 2.935 11.219 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 48.130 3.106 10.574 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 49.419 3.673 11.130 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 27.680 77.308 63.409 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 27.814 78.050 63.999 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 28.030 76.556 63.886 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 47.708 92.473 -15.001 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 48.016 92.209 -15.868 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 48.476 92.386 -14.436 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 44.495 75.425 66.747 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 44.540 76.354 66.975 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 43.561 75.251 66.630 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 73.082 75.435 43.553 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 73.462 76.312 43.607 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 73.838 74.847 43.532 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 76.396 18.958 60.879 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 77.174 19.329 61.295 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 76.086 19.646 60.291 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 78.601 43.764 -3.565 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 78.765 44.699 -3.441 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 77.961 43.725 -4.276 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 51.513 82.801 52.486 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 51.502 83.731 52.259 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 51.785 82.360 51.681 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 79.491 65.346 -6.305 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 79.026 64.781 -5.687 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 78.954 66.137 -6.357 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 83.844 59.788 47.290 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 84.567 59.236 46.990 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 83.900 60.574 46.747 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 44.684 87.337 38.210 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 44.053 87.171 37.510 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 45.523 87.053 37.848 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 55.803 6.556 54.445 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 55.738 5.625 54.235 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 56.469 6.892 53.846 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 70.090 51.839 1.026 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 70.095 51.923 1.980 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 69.324 51.297 0.837 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 75.901 37.358 -7.235 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 75.327 36.601 -7.352 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 75.523 38.035 -7.797 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 21.032 9.011 -9.259 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 20.961 9.952 -9.422 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 20.798 8.605 -10.094 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 75.551 79.544 67.335 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 76.045 80.364 67.328 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 74.889 79.657 66.652 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 29.382 52.520 -12.095 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 30.083 52.028 -12.522 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 28.709 52.612 -12.769 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 28.078 65.041 -1.962 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 28.038 65.818 -2.519 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 28.607 64.416 -2.458 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 61.211 85.644 20.945 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 61.161 86.583 20.765 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 61.176 85.581 21.900 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 27.728 79.563 -19.128 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 28.286 79.435 -18.361 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 26.902 79.891 -18.772 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 82.351 42.723 -17.581 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 81.487 42.315 -17.525 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 82.493 42.856 -18.518 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 72.825 85.396 13.326 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 71.929 85.613 13.067 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 72.735 85.007 14.196 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 77.724 7.038 -3.269 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 77.655 7.937 -2.945 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 78.664 6.861 -3.287 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 51.065 16.310 8.694 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 52.006 16.481 8.730 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 50.660 17.165 8.842 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 27.059 87.731 -17.144 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 27.023 87.119 -17.879 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 26.155 87.792 -16.838 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 40.447 5.662 10.853 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 40.343 5.669 11.804 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 41.134 6.306 10.682 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 37.819 76.258 -5.047 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 37.091 76.276 -5.669 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 38.140 77.159 -5.027 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 32.901 2.176 60.431 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 32.455 2.661 61.125 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 33.648 1.765 60.867 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 28.427 85.422 45.709 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 28.719 85.240 44.816 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 28.819 84.726 46.236 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 30.835 65.406 15.102 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 31.639 64.941 14.868 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 31.113 66.057 15.746 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 20.230 15.560 -14.970 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 20.478 14.775 -15.458 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 20.785 15.543 -14.190 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 32.907 55.511 60.485 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 32.337 54.817 60.815 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 32.451 55.852 59.716 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 54.166 59.515 13.060 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 53.914 59.007 13.831 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 54.764 60.182 13.397 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 76.134 75.443 0.676 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 76.614 74.680 0.998 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 76.577 76.191 1.077 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 64.367 67.435 32.704 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 63.436 67.333 32.898 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 64.521 66.860 31.954 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 62.734 50.947 6.982 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 62.069 51.101 7.653 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 63.431 51.569 7.188 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 59.381 69.334 55.719 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 59.070 68.847 54.956 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 58.604 69.784 56.050 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 70.835 93.270 5.236 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 70.272 94.005 5.481 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 70.261 92.505 5.278 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 65.063 10.210 39.214 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 64.115 10.272 39.332 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 65.188 9.414 38.698 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 26.447 70.041 -0.180 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 27.121 70.135 0.493 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 25.918 69.299 0.113 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 23.362 33.109 -13.899 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 22.617 33.195 -13.303 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 24.125 33.059 -13.323 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 39.540 48.487 0.439 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 40.332 47.995 0.656 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 38.825 47.866 0.584 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 37.142 57.727 17.230 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 37.382 56.820 17.421 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 37.979 58.183 17.140 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 80.915 45.084 16.497 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 80.504 45.555 17.223 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 80.659 45.577 15.717 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 81.098 38.426 56.535 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 80.720 39.073 57.130 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 80.814 37.582 56.886 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 41.293 8.459 -1.358 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 41.931 7.746 -1.316 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 40.766 8.264 -2.133 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 62.820 33.940 47.319 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 62.120 33.602 46.760 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 63.299 34.551 46.760 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 33.863 13.411 13.026 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 33.216 13.077 13.648 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 33.408 14.113 12.561 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 62.310 3.819 -9.422 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 62.248 3.837 -8.467 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 61.664 3.168 -9.693 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 69.856 74.015 20.650 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 68.923 73.864 20.799 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 70.177 73.190 20.286 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 73.459 21.526 12.284 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 73.053 21.142 11.507 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 72.741 21.617 12.910 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 24.113 28.338 1.113 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 23.736 29.063 1.612 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 23.667 28.372 0.267 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 62.301 60.028 20.223 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 62.436 59.774 19.310 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 61.457 60.481 20.224 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 44.678 54.878 2.262 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 45.310 54.604 1.598 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 45.206 55.314 2.931 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 43.258 83.805 -10.806 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 42.540 83.822 -11.439 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 42.911 83.315 -10.061 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 45.832 2.704 10.387 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 45.572 2.791 11.304 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 45.141 2.174 9.990 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 26.497 74.221 50.230 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 25.868 74.940 50.175 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 26.345 73.707 49.437 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 70.610 56.581 -11.680 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 70.451 56.264 -12.569 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 69.737 56.695 -11.305 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 35.007 74.842 56.870 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 35.892 74.873 56.507 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 34.435 75.020 56.124 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 60.664 80.464 7.860 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 59.810 80.050 7.982 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 61.179 79.816 7.381 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 80.352 78.985 13.916 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 80.610 78.120 14.233 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 80.991 79.193 13.234 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 64.160 73.737 5.317 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 64.709 73.448 6.046 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 63.477 73.070 5.251 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 80.456 88.569 19.957 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 80.473 87.669 20.283 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 80.287 89.102 20.733 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 52.885 18.177 66.274 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 53.237 17.287 66.280 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 51.937 18.060 66.224 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 57.050 81.029 11.468 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 57.068 80.073 11.422 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 57.673 81.248 12.161 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 28.113 26.472 13.194 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 28.942 26.867 13.465 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 28.141 25.586 13.556 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 80.590 64.286 -3.599 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 80.793 64.322 -4.534 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 80.749 63.375 -3.354 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 55.096 9.695 6.202 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 55.585 9.847 7.011 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 54.247 9.361 6.494 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 86.290 61.153 36.395 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 85.606 61.740 36.717 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 86.756 60.874 37.183 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 25.516 82.302 -1.851 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 25.058 81.462 -1.829 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 25.652 82.477 -2.783 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 63.762 11.699 -13.647 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 63.272 10.882 -13.739 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 63.814 11.842 -12.702 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 56.281 72.772 -8.904 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 55.613 73.078 -8.290 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 57.000 73.397 -8.809 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 61.355 4.989 48.557 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 61.319 4.055 48.764 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 62.283 5.165 48.406 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 63.492 44.536 4.839 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 63.626 44.009 5.627 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 63.188 45.383 5.166 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 60.820 25.195 63.572 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 60.486 25.460 62.715 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 61.243 25.981 63.919 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 43.807 38.470 5.686 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 44.112 39.196 6.229 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 44.180 37.690 6.096 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 46.383 94.288 41.795 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 45.522 94.681 41.936 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 46.392 94.057 40.866 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 85.042 76.648 33.260 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 84.105 76.779 33.115 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 85.444 77.474 32.991 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 25.398 83.852 56.048 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 25.166 84.773 55.929 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 24.619 83.457 56.440 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 66.812 20.077 63.557 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 66.887 20.406 62.661 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 67.243 19.222 63.535 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 65.122 42.846 46.104 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 64.823 43.055 46.989 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 64.907 41.920 45.990 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 21.989 62.219 57.427 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 22.851 61.997 57.779 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 22.098 63.095 57.059 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 58.743 77.494 41.731 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 59.081 77.991 40.986 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 59.234 77.825 42.483 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 38.753 17.798 -8.510 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 39.044 16.912 -8.293 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 38.968 18.318 -7.736 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 88.312 63.574 20.718 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 88.929 64.263 20.966 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 88.748 63.109 20.004 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 52.416 44.748 0.052 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 52.794 45.250 0.774 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 52.750 45.174 -0.738 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 70.463 74.689 17.141 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 70.767 74.227 17.923 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 69.879 75.369 17.475 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 24.303 88.001 -8.253 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 24.159 88.934 -8.409 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 24.790 87.701 -9.021 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 52.237 83.010 64.019 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 52.484 82.571 64.832 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 51.769 83.795 64.302 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 44.029 46.028 9.506 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 44.772 46.631 9.484 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 43.328 46.527 9.925 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 20.627 8.659 -12.043 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 20.634 9.547 -12.399 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 21.539 8.374 -12.091 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 57.719 45.044 59.791 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 57.581 44.731 60.685 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 56.977 45.624 59.623 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 51.454 63.880 -6.762 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 51.699 64.598 -6.177 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 50.512 63.989 -6.893 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 83.313 69.893 19.050 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 82.896 69.419 19.769 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 83.129 69.362 18.275 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 54.321 30.169 37.342 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 53.807 30.379 36.562 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 54.658 29.288 37.176 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 58.524 54.545 24.011 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 58.552 55.019 23.180 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 57.647 54.716 24.356 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 53.738 71.669 49.612 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 54.341 70.969 49.861 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 54.274 72.279 49.106 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 67.452 58.278 59.102 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 66.560 58.099 59.397 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 67.351 58.941 58.419 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 47.606 93.118 -8.338 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 47.713 92.316 -8.848 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 46.879 93.576 -8.761 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 29.052 4.390 44.952 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 29.529 3.674 44.531 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 28.257 4.488 44.428 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 38.264 91.476 31.394 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 39.134 91.464 31.795 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 38.216 90.656 30.902 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 70.162 66.513 35.821 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 69.456 66.697 35.201 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 70.309 65.570 35.743 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 59.365 6.763 29.903 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 59.519 6.348 30.752 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 60.027 6.383 29.326 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 70.976 80.041 43.387 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 70.172 80.560 43.370 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 71.489 80.417 44.102 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 57.473 2.404 64.927 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 58.429 2.408 64.974 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 57.201 1.825 65.639 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 48.845 17.018 5.718 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 47.992 17.229 5.338 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 48.645 16.422 6.440 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 55.049 75.629 -16.994 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 54.675 76.435 -17.350 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 55.417 75.887 -16.149 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 25.750 58.687 44.669 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 25.266 57.979 45.095 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 26.555 58.274 44.357 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 36.793 82.429 23.417 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 37.136 82.697 22.564 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 35.852 82.595 23.359 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 21.017 12.304 40.572 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 21.159 11.719 39.827 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 20.699 13.118 40.180 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 38.601 92.025 14.920 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 38.468 92.783 14.350 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 39.010 91.369 14.355 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 65.743 66.882 35.272 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 65.092 66.184 35.341 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 65.911 66.962 34.333 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 36.461 3.557 50.435 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 36.204 4.346 50.911 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 36.578 2.894 51.115 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 38.441 95.799 10.927 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 38.344 96.050 10.008 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 39.229 96.257 11.219 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 67.598 2.136 65.085 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 67.836 2.480 64.224 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 66.966 1.442 64.900 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 54.490 78.309 -2.482 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 54.018 77.483 -2.378 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 54.920 78.235 -3.334 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 47.056 87.364 36.823 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 47.110 86.469 36.489 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 47.593 87.878 36.220 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 37.640 62.034 50.534 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 38.499 62.437 50.661 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 37.511 62.039 49.586 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 34.606 15.078 31.820 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 34.101 15.634 32.414 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 34.875 15.665 31.114 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 51.198 35.555 -9.193 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 51.918 35.225 -9.731 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 51.628 35.962 -8.440 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 87.389 69.947 44.764 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 86.624 69.730 44.230 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 88.127 69.556 44.297 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 83.280 12.879 38.008 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 84.225 12.984 37.900 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 83.022 12.288 37.300 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 40.051 71.113 24.744 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 40.829 71.569 25.067 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 40.295 70.187 24.751 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 73.115 72.142 44.260 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 73.223 71.494 44.956 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 73.999 72.278 43.920 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 41.222 3.628 -15.479 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 42.010 3.999 -15.877 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 40.590 4.347 -15.483 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 30.659 0.944 11.641 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 30.003 0.308 11.926 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 31.143 0.496 10.948 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 78.914 77.226 22.639 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 79.693 76.887 23.080 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 78.513 77.815 23.279 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 52.501 58.087 11.020 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 52.837 58.657 11.712 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 53.263 57.901 10.472 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 21.369 20.509 11.397 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 21.286 21.332 11.879 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 22.156 20.099 11.757 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 24.597 85.014 -11.440 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 23.823 84.625 -11.033 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 24.999 84.294 -11.927 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 41.046 1.196 15.830 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 40.102 1.036 15.849 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 41.431 0.339 15.649 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 72.345 17.963 57.908 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 72.384 17.067 57.572 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 71.859 18.448 57.241 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 22.541 78.224 -13.288 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 23.486 78.309 -13.161 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 22.415 77.311 -13.546 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 90.052 58.055 3.712 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 90.229 57.795 2.808 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 90.385 58.950 3.774 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 45.239 31.911 -8.143 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 44.332 32.147 -7.949 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 45.609 31.661 -7.296 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 25.251 74.289 1.964 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 25.159 75.150 1.555 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 24.602 74.287 2.668 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 65.332 81.643 4.017 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 64.381 81.594 3.918 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 65.625 80.733 3.966 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 51.659 85.707 59.513 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 50.845 85.260 59.282 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 51.478 86.633 59.356 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 82.222 13.397 2.556 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 81.981 13.888 3.342 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 82.690 12.630 2.886 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 46.808 58.362 47.045 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 47.504 59.018 47.012 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 46.348 58.458 46.210 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 88.854 75.995 59.672 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 88.044 75.745 60.115 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 88.617 76.039 58.745 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 26.593 5.218 61.329 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 26.116 4.768 60.632 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 27.514 5.026 61.153 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 59.844 15.727 -14.239 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 59.695 15.148 -14.986 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 60.758 15.578 -13.997 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 42.251 81.262 33.365 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 42.259 80.430 32.891 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 41.507 81.740 32.999 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 82.150 10.441 44.771 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 82.733 10.972 45.314 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 81.762 9.812 45.380 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 82.096 58.783 34.020 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 82.546 59.344 34.651 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 82.716 58.688 33.297 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 85.539 39.128 9.467 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 84.583 39.155 9.431 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 85.742 38.267 9.831 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 50.753 12.733 -3.342 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 50.967 13.568 -3.760 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 50.348 12.978 -2.511 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 74.985 87.955 -12.883 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 75.743 88.380 -12.480 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 74.958 88.306 -13.773 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 38.803 95.236 50.080 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 38.041 95.368 50.644 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 38.931 96.080 49.648 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 86.926 4.294 -12.561 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 86.287 3.593 -12.690 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 87.759 3.914 -12.841 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 32.709 83.733 9.129 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 32.151 82.987 9.348 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 33.595 83.371 9.101 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 32.113 71.270 -16.883 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 33.045 71.421 -16.723 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 32.091 70.529 -17.489 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 45.367 69.457 30.979 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 46.002 68.742 31.032 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 45.329 69.811 31.867 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 61.701 10.305 9.478 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 60.976 9.968 8.952 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 62.284 10.722 8.844 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 43.981 14.280 10.961 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 44.218 15.043 11.487 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 44.036 13.543 11.568 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 64.396 72.961 50.978 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 64.166 73.710 50.428 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 63.973 73.140 51.818 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 39.972 76.619 55.490 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 40.447 76.977 54.741 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 39.757 77.383 56.026 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 38.047 91.412 -18.126 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 38.500 90.861 -18.765 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 37.740 92.164 -18.633 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 55.195 70.841 57.999 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 55.188 71.243 57.130 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 54.293 70.554 58.138 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 79.601 71.109 11.447 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 78.844 71.290 10.888 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 79.986 70.313 11.079 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 40.412 85.171 29.934 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 41.190 85.162 30.492 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 40.744 85.393 29.064 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 71.767 22.000 14.329 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 72.019 22.015 15.253 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 71.065 21.351 14.283 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 29.092 81.377 58.549 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 29.986 81.590 58.815 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 28.886 82.017 57.867 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 50.929 87.286 -3.518 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 50.240 87.126 -4.163 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 50.838 86.572 -2.887 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 20.639 80.948 37.578 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 19.986 81.398 38.114 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 20.376 80.028 37.601 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 63.580 24.048 -3.343 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 64.104 23.437 -2.825 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 63.634 24.876 -2.866 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 71.183 4.991 32.745 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 70.890 5.751 33.248 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 72.058 5.228 32.439 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 62.344 52.689 52.562 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 62.951 53.223 52.050 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 62.462 51.801 52.224 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 33.871 50.938 9.260 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 34.654 50.959 9.810 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 34.159 50.521 8.448 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 37.487 75.066 34.571 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 37.825 74.483 33.892 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 38.243 75.248 35.129 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 78.999 96.001 41.989 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 78.199 96.519 41.900 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 78.757 95.130 41.672 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 39.892 84.683 5.075 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 39.258 84.404 5.735 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 39.676 84.165 4.300 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 49.658 68.793 65.582 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 49.651 69.616 65.093 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 49.475 69.049 66.485 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 82.189 76.019 32.137 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 81.357 75.989 32.610 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 82.400 76.951 32.082 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 78.478 81.368 19.220 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 79.317 80.907 19.205 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 78.085 81.125 20.058 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 43.619 36.597 64.186 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 42.702 36.336 64.272 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 44.045 35.844 63.776 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 57.371 86.733 5.112 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 56.683 87.142 5.638 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 57.816 86.141 5.719 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 80.110 61.273 -3.812 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 80.411 60.367 -3.876 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 79.159 61.217 -3.901 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 28.573 51.875 46.535 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 28.602 52.735 46.117 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 28.670 51.254 45.813 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 65.550 87.990 -12.387 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 65.366 88.046 -11.449 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 64.689 87.905 -12.795 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 83.043 72.032 26.904 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 83.003 71.437 27.652 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 83.970 72.053 26.664 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 22.859 1.918 -4.939 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 23.430 2.664 -5.124 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 22.054 2.107 -5.420 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 42.936 35.021 48.670 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 43.000 34.242 49.222 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 43.471 34.816 47.903 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 68.421 48.240 0.374 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 68.434 47.759 1.202 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 68.255 49.148 0.627 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 34.269 50.488 28.765 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 34.278 50.192 27.855 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 34.802 49.844 29.232 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 81.313 52.571 45.040 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 81.871 53.281 44.723 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 80.600 52.523 44.403 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 21.536 57.038 66.820 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 20.888 57.613 66.414 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 21.965 56.602 66.084 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 45.876 77.496 -5.216 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 46.562 77.473 -4.549 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 45.727 76.577 -5.439 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 56.494 8.894 14.278 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 55.827 9.453 14.677 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 56.878 8.416 15.013 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 69.672 64.037 66.856 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 70.541 63.659 66.991 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 69.138 63.305 66.545 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 47.341 73.935 -7.247 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 46.565 74.040 -6.696 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 48.000 73.558 -6.663 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 39.674 83.004 40.156 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 39.429 83.193 41.062 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 40.185 82.197 40.208 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 55.794 67.125 11.431 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 55.431 66.445 10.863 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 56.552 66.712 11.846 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 38.117 95.002 30.016 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 38.639 94.991 29.213 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 38.629 94.489 30.641 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 82.610 82.917 62.518 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 83.139 82.865 61.722 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 81.723 83.098 62.206 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 32.924 87.997 2.447 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 33.440 87.240 2.723 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 33.012 88.623 3.166 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 35.997 38.446 57.510 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 35.177 38.939 57.471 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 36.069 38.032 56.651 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 38.740 3.840 63.834 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 39.135 3.856 62.962 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 38.879 4.723 64.177 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 68.727 1.589 7.951 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 67.859 1.904 8.205 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 69.185 2.371 7.643 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 40.293 30.240 -19.457 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 40.598 29.847 -18.639 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 39.800 31.013 -19.182 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 90.558 19.197 32.598 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 89.620 19.340 32.473 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 90.618 18.327 32.992 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 35.070 47.352 18.452 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 35.644 47.759 19.102 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 35.551 46.579 18.157 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 25.730 76.990 67.392 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 26.303 77.736 67.569 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 25.429 77.126 66.494 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 43.298 73.751 58.104 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 42.462 73.436 57.761 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 43.918 73.616 57.387 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 34.287 1.916 50.097 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 34.960 2.504 49.755 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 34.219 2.143 51.025 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 36.499 55.108 64.353 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 37.038 54.714 65.039 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 35.685 54.605 64.369 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 49.520 63.954 65.828 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 50.215 63.416 65.450 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 48.812 63.919 65.186 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 64.337 93.905 58.110 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 64.846 94.698 58.278 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 63.425 94.181 58.201 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 76.243 51.310 3.127 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 75.479 51.623 3.611 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 76.487 50.495 3.565 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 59.067 11.920 3.183 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 59.145 12.802 3.547 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 58.819 12.059 2.269 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 40.604 40.578 -7.872 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 40.582 40.337 -6.946 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 39.740 40.955 -8.042 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 53.246 85.938 16.869 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 53.545 85.324 16.199 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 54.037 86.406 17.135 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 34.094 9.173 36.900 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 34.842 9.338 37.472 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 33.561 9.965 36.967 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 86.723 70.002 5.341 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 86.899 69.420 6.081 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 86.358 69.430 4.666 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 62.652 94.215 26.460 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 62.955 94.919 25.886 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 62.558 93.458 25.882 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 52.464 0.230 -13.131 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 52.223 1.061 -12.721 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 51.699 -0.011 -13.654 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 63.672 84.446 41.973 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 63.981 84.105 42.813 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 62.818 84.033 41.845 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 67.796 75.532 50.978 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 67.657 75.840 50.082 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 67.498 74.622 50.968 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 42.030 74.927 26.648 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 42.958 74.722 26.535 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 41.586 74.084 26.564 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 43.945 66.863 1.819 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 44.230 66.164 1.230 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 44.582 66.850 2.533 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 82.236 72.904 64.449 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 81.477 73.230 64.933 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 81.884 72.207 63.895 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 90.414 70.338 30.034 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 90.866 71.116 29.708 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 89.966 69.981 29.267 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 73.400 92.984 -7.438 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 74.254 93.279 -7.121 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 73.198 93.573 -8.165 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 57.922 71.045 29.625 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 57.802 70.899 28.687 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 57.356 70.395 30.043 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 33.162 8.647 52.228 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 34.023 8.297 51.999 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 33.352 9.443 52.726 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 40.717 12.797 -19.257 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 41.354 13.378 -18.841 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 41.077 12.629 -20.127 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 84.157 83.395 55.528 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 84.014 83.591 54.602 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 85.090 83.558 55.667 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 80.923 72.338 52.334 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 81.309 71.544 51.965 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 79.997 72.287 52.098 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 80.934 87.546 22.907 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 80.872 88.451 22.601 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 81.025 87.620 23.857 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 54.587 64.666 14.666 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 55.347 64.590 14.088 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 54.268 63.768 14.762 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 73.288 32.514 -13.779 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 72.666 32.472 -14.505 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 73.313 33.440 -13.537 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 54.575 69.262 3.918 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 53.968 69.232 4.657 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 55.424 69.031 4.295 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 21.669 13.787 -7.659 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 22.328 14.428 -7.391 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 21.921 13.543 -8.550 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 52.606 56.332 -6.824 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 53.147 57.030 -6.454 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 52.321 56.673 -7.672 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 27.075 51.087 -2.722 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 26.132 51.089 -2.560 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 27.291 52.004 -2.896 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 45.184 81.475 32.036 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 44.997 80.600 32.377 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 45.254 81.354 31.089 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 75.129 75.120 -7.736 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 74.886 74.208 -7.896 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 75.910 75.067 -7.186 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 40.860 12.888 29.877 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 40.987 13.433 30.654 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 41.707 12.463 29.741 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 62.552 50.479 10.247 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 61.728 50.966 10.228 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 62.407 49.788 10.892 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 80.159 32.011 6.977 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 80.148 32.948 7.174 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 80.109 31.585 7.833 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 51.641 95.883 -6.464 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 52.150 96.649 -6.730 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 50.797 95.992 -6.901 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 33.744 65.630 42.851 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 34.415 65.868 42.211 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 32.979 66.148 42.601 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 76.665 62.549 9.702 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 76.292 63.389 9.969 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 77.602 62.721 9.611 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 60.898 24.025 1.924 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 60.894 24.490 1.087 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 60.495 24.636 2.540 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 43.855 71.258 65.436 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 43.961 70.373 65.086 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 44.749 71.569 65.577 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 80.512 19.731 65.194 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 81.177 19.969 64.548 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 80.762 18.855 65.485 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 79.576 45.401 22.123 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 80.514 45.354 22.308 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 79.167 45.497 22.983 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 75.375 61.974 51.349 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 75.402 61.297 52.026 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 74.486 62.327 51.398 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 31.766 45.600 26.628 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 31.778 45.592 25.671 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 32.687 45.536 26.881 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 38.509 71.334 62.483 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 38.954 70.983 63.254 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 38.259 72.223 62.733 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 59.326 90.149 4.739 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 59.030 89.704 3.945 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 59.764 89.466 5.247 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 60.479 72.250 49.362 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 59.875 71.925 50.030 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 61.243 71.677 49.431 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 57.286 9.725 59.203 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 57.017 9.306 58.385 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 57.917 9.116 59.587 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 57.643 85.869 42.212 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 57.507 84.922 42.221 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 58.492 85.986 41.786 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 29.611 36.062 51.753 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 29.893 35.747 50.895 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 30.304 36.662 52.029 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 57.641 32.724 60.793 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 57.083 33.167 60.154 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 57.930 33.420 61.383 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 33.501 65.274 -9.851 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 32.960 64.911 -10.552 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 34.397 65.042 -10.094 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 66.286 80.994 -1.121 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 65.803 80.306 -1.579 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 67.199 80.709 -1.154 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 61.135 83.250 16.572 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 60.990 83.296 15.627 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 60.393 83.720 16.952 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 47.413 91.868 29.501 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 46.875 91.215 29.054 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 46.816 92.289 30.119 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 76.137 68.586 39.174 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 76.251 67.635 39.184 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 76.300 68.838 38.265 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 59.110 4.043 -12.643 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 59.694 3.324 -12.886 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 59.581 4.833 -12.907 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 37.745 91.943 -2.115 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 37.986 92.793 -2.482 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 36.882 91.758 -2.487 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 41.391 33.163 9.546 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 41.768 33.508 10.355 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 40.727 33.806 9.297 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 51.534 36.367 60.765 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 51.488 37.245 61.142 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 50.706 35.955 61.015 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 67.359 22.915 -18.557 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 66.684 23.206 -19.170 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 67.908 22.321 -19.069 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 21.986 29.432 19.343 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 22.225 29.814 18.498 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 21.475 28.655 19.118 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 89.621 71.653 55.666 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 90.422 71.132 55.721 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 89.619 71.995 54.771 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 21.732 48.385 19.707 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 20.981 48.958 19.859 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 22.485 48.887 20.017 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 48.417 21.169 43.392 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 47.637 21.095 43.941 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 48.316 20.477 42.737 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 24.730 94.475 40.922 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 25.251 94.653 40.138 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 24.572 93.532 40.895 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 82.082 6.124 65.764 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 81.990 6.735 66.494 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 81.253 5.644 65.747 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 45.816 90.413 35.878 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 46.769 90.429 35.790 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 45.492 90.749 35.042 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 41.743 47.119 66.983 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 42.487 47.410 67.511 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 42.140 46.717 66.210 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 51.902 10.696 -18.800 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 51.255 10.765 -19.502 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 52.094 9.760 -18.742 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 29.818 55.052 1.516 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 29.788 54.222 1.040 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 30.719 55.112 1.835 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 70.432 10.321 45.554 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 69.774 10.218 44.867 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 70.067 9.857 46.308 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 36.849 57.311 -7.529 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 36.809 56.661 -6.827 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 36.085 57.123 -8.073 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 70.247 68.833 19.668 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 70.452 68.302 18.898 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 70.388 68.245 20.409 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 57.835 56.222 55.899 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 57.117 55.709 55.528 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 58.228 56.664 55.147 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 59.462 65.526 -15.241 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 59.508 65.417 -14.291 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 58.716 66.109 -15.380 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 69.589 55.690 0.946 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 69.128 55.584 1.778 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 68.928 55.504 0.279 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 25.480 17.623 15.447 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 24.558 17.426 15.610 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 25.648 18.421 15.948 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 68.383 78.400 -5.149 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 68.880 77.649 -4.824 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 67.892 78.710 -4.388 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 35.517 96.993 19.673 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 34.889 96.330 19.386 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 35.916 96.621 20.459 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 26.182 85.819 11.626 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 26.707 85.860 12.425 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 26.791 85.513 10.954 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 25.094 39.041 53.225 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 25.758 38.367 53.082 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 25.592 39.818 53.479 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 77.904 46.154 35.282 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 77.180 46.059 34.663 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 77.931 45.319 35.750 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 84.469 55.708 31.228 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 83.608 56.046 30.983 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 84.592 54.938 30.672 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 81.488 1.575 33.149 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 82.122 1.049 32.661 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 80.640 1.344 32.769 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 61.884 12.516 0.932 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 62.094 12.421 1.861 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 60.931 12.606 0.909 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 76.137 36.077 64.864 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 75.187 36.193 64.870 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 76.454 36.656 65.557 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 64.726 61.074 21.399 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 63.773 61.071 21.304 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 65.006 60.239 21.024 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 27.139 9.842 33.362 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 27.168 10.469 34.084 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 27.699 9.120 33.648 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 63.448 81.329 55.293 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 64.111 81.742 54.741 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 63.851 80.511 55.582 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 44.719 29.794 -5.585 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 45.631 29.734 -5.302 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 44.656 29.189 -6.324 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 38.336 57.753 48.816 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 38.935 58.491 48.931 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 38.266 57.647 47.868 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 28.744 44.242 -1.606 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 28.319 44.899 -2.157 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 28.640 44.574 -0.714 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 35.333 85.848 5.729 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 35.430 85.193 6.420 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 36.036 86.477 5.893 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 82.631 51.982 21.899 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 81.692 52.092 22.050 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 82.740 52.122 20.958 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 76.605 91.213 40.385 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 76.881 90.945 41.262 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 75.797 91.706 40.528 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 72.057 84.451 36.982 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 71.938 84.327 36.040 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 71.343 83.953 37.381 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 68.216 58.605 26.560 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 67.745 57.978 27.110 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 67.554 59.251 26.313 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 61.980 72.503 32.356 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 61.638 72.168 31.527 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 62.180 71.719 32.867 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 47.950 78.541 43.885 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 48.007 79.277 44.495 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 47.588 77.825 44.407 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 90.452 5.006 41.305 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 90.138 4.222 41.755 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 91.191 5.307 41.833 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 66.353 81.491 7.539 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 65.534 81.415 7.049 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 66.078 81.584 8.451 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 52.999 57.020 63.983 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 53.494 56.439 63.405 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 52.383 56.442 64.434 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 25.258 66.623 63.343 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 26.141 66.445 63.020 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 24.959 67.370 62.824 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 35.431 81.582 51.269 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 34.491 81.593 51.089 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 35.689 82.504 51.256 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 75.763 2.925 -12.342 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 75.090 2.612 -12.947 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 75.451 2.657 -11.477 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 56.431 64.245 -11.591 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 55.812 63.773 -11.034 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 57.154 63.631 -11.721 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 29.644 73.253 58.452 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 30.474 72.836 58.222 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 29.882 73.927 59.088 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 33.621 17.331 19.517 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 33.203 18.172 19.703 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 33.831 17.369 18.583 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 51.907 7.155 45.129 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 50.952 7.216 45.136 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 52.119 6.626 45.898 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 62.737 24.382 26.629 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 63.009 25.110 26.069 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 62.196 24.789 27.306 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 80.816 5.833 -17.411 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 81.374 5.725 -16.640 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 80.017 5.351 -17.197 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 63.738 89.187 32.392 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 63.662 88.366 31.905 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 64.099 88.930 33.241 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 26.389 37.692 36.241 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 27.047 38.079 35.663 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 26.136 36.878 35.805 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 66.621 61.980 39.895 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 65.755 62.387 39.915 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 66.444 61.039 39.879 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 77.961 82.571 57.458 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 77.995 83.347 56.898 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 77.035 82.479 57.682 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 32.194 16.904 60.108 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 33.065 16.679 59.782 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 31.644 16.161 59.857 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 83.761 61.142 9.892 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 84.380 60.422 10.011 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 83.738 61.583 10.742 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 41.933 2.938 1.163 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 41.092 2.806 1.601 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 42.554 3.089 1.876 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 57.549 58.018 59.393 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 58.103 57.612 58.727 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 58.132 58.618 59.858 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 83.147 81.066 54.662 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 82.757 81.634 53.998 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 83.633 81.662 55.232 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 25.078 26.721 43.063 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 25.696 27.013 43.732 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 24.299 27.258 43.205 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 51.566 10.844 16.513 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 50.655 10.898 16.223 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 51.541 11.105 17.433 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 37.451 82.729 13.491 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 37.904 82.969 12.683 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 37.631 83.452 14.092 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 33.747 4.257 -12.874 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 33.771 4.477 -13.805 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 33.104 3.550 -12.811 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 31.900 61.527 52.166 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 32.690 61.509 51.627 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 31.986 60.769 52.744 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 46.918 53.256 -15.074 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 47.493 53.557 -14.371 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 46.974 53.941 -15.740 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 79.431 18.812 56.262 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 79.974 18.962 55.488 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 78.648 19.343 56.113 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 29.604 18.408 39.398 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 29.028 17.811 39.875 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 29.590 19.216 39.911 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 44.880 76.681 28.094 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 44.548 76.368 27.253 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 45.326 75.923 28.473 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 63.313 58.420 -9.983 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 62.855 59.000 -9.374 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 64.072 58.927 -10.272 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 74.984 80.630 26.905 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 75.214 81.556 26.976 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 75.135 80.277 27.782 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 60.748 95.487 -11.388 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 60.509 95.063 -10.563 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 60.027 96.092 -11.564 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 82.680 72.057 10.013 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 83.495 72.496 9.768 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 82.658 71.269 9.470 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 25.497 36.802 7.976 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 26.167 37.459 7.789 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 24.756 37.304 8.315 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 78.215 22.440 7.750 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 78.097 22.012 6.902 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 79.083 22.160 8.042 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 29.354 31.620 58.561 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 28.417 31.812 58.532 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 29.402 30.691 58.787 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 61.561 73.487 57.907 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 61.203 72.646 58.193 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 62.356 73.259 57.426 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 52.257 81.358 37.160 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 52.642 82.234 37.204 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 52.076 81.222 36.230 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 64.186 28.867 -7.634 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 63.889 29.531 -7.012 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 63.572 28.931 -8.365 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 56.151 93.430 7.127 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 56.654 93.991 7.717 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 55.528 92.980 7.697 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 72.656 51.272 51.749 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 72.874 51.899 52.438 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 71.803 51.560 51.423 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 27.545 14.948 54.509 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 26.909 14.440 54.005 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 27.306 14.792 55.423 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 56.301 58.791 15.642 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 56.702 59.547 15.213 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 55.769 59.168 16.343 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 25.578 82.589 -5.867 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 24.662 82.703 -5.612 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 25.538 82.258 -6.764 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 32.304 80.852 6.163 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 32.744 80.286 6.796 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 32.807 81.667 6.179 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 60.911 40.791 3.609 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 61.567 41.392 3.962 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 60.075 41.135 3.924 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 36.068 36.438 -18.440 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 35.915 37.026 -19.180 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 36.616 35.739 -18.797 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 52.943 12.731 43.438 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 52.825 12.858 44.379 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 53.580 12.020 43.370 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 50.607 90.427 40.101 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 51.206 90.722 39.415 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 50.851 89.514 40.257 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 53.867 83.714 0.674 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 53.211 83.327 1.254 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 54.152 82.990 0.116 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 75.858 58.621 2.758 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 76.400 59.335 3.092 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 75.539 58.175 3.542 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 76.412 53.411 52.184 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 76.293 53.011 51.323 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 76.789 54.271 51.998 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 84.261 88.515 -7.874 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 83.362 88.822 -7.748 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 84.320 87.722 -7.343 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 48.902 19.688 -13.369 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 48.805 19.768 -14.318 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 48.007 19.587 -13.044 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 56.512 14.598 55.766 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 56.817 15.440 55.427 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 55.791 14.353 55.187 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 59.767 12.913 -5.846 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 60.633 13.228 -5.589 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 59.759 11.991 -5.588 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 32.373 48.931 2.907 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 33.232 48.889 3.326 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 32.195 48.032 2.634 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 77.430 91.749 16.554 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 78.004 91.048 16.864 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 77.071 91.417 15.731 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 88.781 52.847 37.691 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 88.439 52.132 37.155 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 88.393 52.706 38.555 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 80.002 10.177 -15.958 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 80.128 9.797 -16.827 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 79.651 9.459 -15.431 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 59.126 50.100 -2.201 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 60.002 49.809 -1.948 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 58.589 49.949 -1.424 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 58.242 67.126 37.966 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 57.312 66.903 38.015 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 58.583 66.577 37.260 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 86.086 55.471 60.672 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 85.691 56.064 60.034 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 86.947 55.265 60.308 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 58.562 73.177 36.982 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 58.710 72.303 37.343 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 58.035 73.025 36.197 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 81.588 78.074 -17.899 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 81.513 78.880 -18.410 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 81.147 78.272 -17.072 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 41.289 1.917 -3.094 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 40.798 2.498 -2.512 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 41.770 1.338 -2.504 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 54.050 77.073 1.958 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 54.534 77.748 2.434 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 54.145 76.286 2.494 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 40.734 80.636 20.775 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 40.841 80.804 21.711 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 40.673 79.683 20.707 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 76.505 71.711 63.104 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 76.417 70.760 63.166 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 76.291 72.029 63.981 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 78.345 70.525 17.501 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 78.235 71.422 17.184 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 77.462 70.155 17.486 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 65.088 42.024 2.335 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 65.376 42.812 2.795 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 64.196 42.223 2.052 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 88.493 90.613 21.488 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 88.093 89.747 21.408 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 87.874 91.204 21.059 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 76.676 57.161 25.844 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 76.332 57.738 26.526 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 75.906 56.904 25.337 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 84.314 89.229 -18.510 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 84.782 89.287 -19.342 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 83.441 88.917 -18.747 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 48.350 70.688 25.649 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 49.251 70.420 25.468 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 47.827 70.225 24.995 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 26.208 34.222 8.057 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 26.042 35.162 7.993 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 26.004 34.003 8.966 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 40.616 96.484 66.783 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 39.981 96.160 67.421 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 40.102 97.031 66.189 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 64.174 65.791 -7.336 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 63.361 65.677 -6.844 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 64.735 65.074 -7.040 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 83.082 28.177 52.833 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 83.637 27.483 52.478 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 83.680 28.908 52.988 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 50.139 23.123 63.439 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 50.846 22.509 63.237 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 50.538 23.988 63.346 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 34.048 92.237 -11.164 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 34.508 93.077 -11.183 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 33.487 92.289 -10.390 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 58.717 21.649 36.251 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 59.451 22.194 35.969 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 58.002 21.885 35.661 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 80.234 49.634 18.710 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 80.159 49.032 17.969 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 80.430 49.070 19.458 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 40.483 21.977 36.825 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 40.467 21.085 36.480 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 40.448 22.536 36.049 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 31.121 70.254 21.850 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 30.253 69.893 22.033 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 31.500 69.655 21.207 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 42.403 72.150 25.425 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 43.035 71.625 25.916 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 42.938 72.775 24.936 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 32.723 74.651 15.825 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 32.939 74.364 16.713 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 33.411 74.274 15.277 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 77.286 89.036 25.282 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 76.402 89.401 25.256 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 77.186 88.141 24.958 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 55.577 92.184 46.076 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 54.874 92.686 45.662 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 56.373 92.473 45.630 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 87.091 86.297 27.334 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 86.740 87.036 26.837 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 86.468 86.171 28.050 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 60.242 58.983 66.632 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 59.773 59.770 66.910 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 59.566 58.308 66.574 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 63.312 85.023 18.104 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 63.459 84.169 17.698 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 63.289 84.842 19.043 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 59.509 85.236 24.653 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 59.360 84.327 24.393 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 58.784 85.438 25.244 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 62.051 72.154 35.967 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 62.014 71.989 36.909 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 61.323 71.648 35.606 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 47.508 17.915 43.027 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 47.309 18.105 43.943 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 47.577 16.961 42.989 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 68.335 11.072 2.711 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 68.610 10.554 3.468 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 67.539 11.518 3.001 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 89.160 3.275 49.650 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 89.388 2.358 49.802 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 88.565 3.253 48.900 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 59.900 86.469 -18.886 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 60.224 87.307 -18.555 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 60.430 86.298 -19.665 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 76.988 60.625 -19.160 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 77.594 60.367 -18.465 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 76.511 61.372 -18.798 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 54.901 8.262 -8.415 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 54.778 9.066 -8.919 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 54.757 7.558 -9.047 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 54.773 67.278 41.162 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 55.236 67.153 40.333 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 54.909 66.459 41.638 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 77.925 76.794 67.054 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 78.850 76.912 66.838 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 77.527 76.475 66.244 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 69.334 65.236 10.257 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 68.445 64.889 10.331 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 69.898 64.466 10.328 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 83.719 88.409 0.569 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 84.196 87.587 0.689 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 82.848 88.140 0.275 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 39.685 95.366 40.347 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 39.170 95.302 39.542 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 40.084 96.235 40.308 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 75.976 40.313 -3.064 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 75.923 39.490 -3.549 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 75.429 40.921 -3.562 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 30.120 70.291 8.478 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 30.427 70.107 9.366 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 29.577 71.074 8.569 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 52.215 58.971 61.122 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 52.800 58.374 61.588 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 52.173 59.749 61.679 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 24.960 34.425 44.623 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 24.873 35.361 44.805 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 24.795 34.000 45.465 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 58.636 19.441 28.736 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 59.042 20.212 28.339 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 58.068 19.794 29.420 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 85.254 58.543 31.368 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 84.556 59.069 30.978 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 84.888 57.660 31.420 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 46.616 95.636 -19.545 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 47.508 95.416 -19.813 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 46.672 96.546 -19.250 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 35.393 61.991 23.503 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 36.225 61.915 23.036 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 35.616 61.827 24.419 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 33.628 65.876 -3.450 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 34.358 66.489 -3.538 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 33.158 66.172 -2.670 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 47.560 81.119 34.801 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 48.329 81.126 35.372 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 47.838 80.622 34.031 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 46.469 3.239 17.332 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 45.811 2.544 17.337 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 46.189 3.830 16.632 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 89.187 66.129 35.562 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 89.372 66.157 34.623 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 88.240 66.250 35.623 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 82.123 47.308 36.514 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 83.030 47.425 36.798 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 81.637 47.154 37.324 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 41.305 88.587 52.199 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 41.799 88.796 51.406 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 40.701 87.894 51.931 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 44.175 1.965 12.674 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 44.680 1.679 13.436 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 44.101 1.182 12.129 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 29.978 6.846 -18.451 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 29.431 7.131 -17.721 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 29.431 6.227 -18.934 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 43.249 71.210 53.160 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 43.893 70.830 52.563 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 42.403 70.931 52.811 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 51.209 83.088 29.489 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 50.453 83.019 30.073 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 50.849 82.946 28.613 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 50.798 68.115 58.397 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 50.865 67.682 57.546 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 50.024 67.725 58.804 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 54.299 16.222 41.319 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 53.519 15.698 41.134 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 54.511 16.639 40.484 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 24.690 81.984 48.527 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 24.544 82.928 48.578 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 23.812 81.603 48.556 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 74.683 42.127 28.090 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 73.822 41.739 27.934 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 74.563 43.059 27.910 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 61.352 93.696 51.701 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 60.574 93.388 51.235 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 61.041 94.434 52.225 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 25.858 25.448 53.017 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 26.527 25.873 52.482 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 25.739 24.588 52.614 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 58.450 19.028 -2.980 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 58.334 19.661 -3.688 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 58.832 18.260 -3.404 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 62.266 12.244 25.810 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 62.116 11.587 26.491 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 62.792 12.919 26.240 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 69.644 85.405 62.178 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 70.344 86.046 62.301 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 69.176 85.707 61.399 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 78.081 80.331 54.740 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 78.438 79.931 53.947 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 78.518 79.871 55.457 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 32.999 78.440 54.873 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 33.786 78.889 55.184 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 33.262 78.043 54.043 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 56.615 0.185 14.398 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 56.087 0.629 13.735 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 56.011 0.035 15.125 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 22.847 58.948 36.754 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 22.797 59.457 37.563 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 23.201 59.559 36.107 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 57.054 28.239 4.991 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 57.978 28.043 4.836 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 57.057 29.111 5.387 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 88.112 66.044 8.387 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 87.637 66.174 9.208 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 88.440 65.146 8.439 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 68.698 62.929 22.308 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 68.332 63.510 21.641 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 67.989 62.318 22.509 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 51.970 70.879 44.703 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 51.382 70.676 43.975 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 51.453 71.441 45.280 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 54.915 57.424 58.448 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 55.188 57.655 57.560 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 55.728 57.410 58.953 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 73.218 34.106 -18.042 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 73.040 34.741 -17.348 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 73.638 33.372 -17.593 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 36.683 33.076 0.223 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 36.615 33.691 0.954 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 37.605 32.820 0.209 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 83.329 75.703 46.668 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 83.154 76.100 47.521 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 82.500 75.293 46.420 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 45.188 75.047 31.229 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 45.486 75.209 32.124 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 45.606 74.222 30.983 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 42.610 64.300 54.133 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 42.822 64.289 53.200 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 43.439 64.103 54.570 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 34.308 96.233 23.736 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 35.034 96.823 23.534 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 33.569 96.583 23.240 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 54.765 19.850 49.684 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 55.479 19.253 49.460 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 53.973 19.319 49.600 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 81.675 77.518 4.443 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 80.902 78.048 4.639 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 81.443 76.637 4.739 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 28.611 51.026 30.665 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 28.425 50.091 30.582 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 28.863 51.300 29.783 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 66.276 79.759 14.335 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 67.032 79.291 14.688 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 65.531 79.188 14.523 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 38.291 4.666 -13.851 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 39.003 5.303 -13.900 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 38.471 4.165 -13.056 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 49.631 69.741 43.523 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 49.943 69.033 44.087 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 49.022 69.317 42.920 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 25.621 64.242 64.968 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 25.489 64.982 64.375 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 24.958 63.604 64.706 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 76.733 4.092 4.797 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 77.416 4.383 5.402 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 76.325 3.347 5.236 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 36.206 50.242 -14.866 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 37.158 50.300 -14.792 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 35.876 50.855 -14.209 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 45.044 83.786 14.078 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 44.948 84.633 13.642 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 44.710 83.151 13.444 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 61.949 61.859 -2.090 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 61.307 62.504 -1.792 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 62.721 62.377 -2.319 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 56.629 60.782 18.342 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 57.292 61.380 17.997 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 56.947 60.547 19.213 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 31.297 94.124 28.275 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 32.001 94.610 28.705 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 31.748 93.469 27.743 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 38.496 87.791 15.567 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 37.659 87.538 15.955 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 39.128 87.174 15.938 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 89.201 82.705 39.055 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 88.999 83.345 38.372 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 89.688 83.201 39.713 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 75.481 50.410 9.053 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 75.863 51.227 9.373 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 74.538 50.526 9.164 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 70.725 86.442 27.644 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 70.558 85.533 27.393 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 71.469 86.708 27.104 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 59.132 63.638 -17.638 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 58.381 63.105 -17.374 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 59.371 64.123 -16.848 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 33.798 86.570 36.596 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 33.272 86.104 35.945 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 34.636 86.725 36.161 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 67.254 35.681 -6.404 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 67.131 35.535 -5.467 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 67.112 36.620 -6.522 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 23.233 8.727 61.923 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 22.417 9.100 61.591 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 23.384 9.179 62.754 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 86.389 56.962 46.871 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 86.698 57.550 47.560 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 86.349 56.102 47.290 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 21.002 5.579 5.260 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 20.280 5.518 5.885 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 21.496 6.350 5.539 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 77.068 0.780 58.129 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 77.896 0.485 57.750 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 76.606 1.196 57.402 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 85.853 71.587 -1.207 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 86.137 71.282 -0.346 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 85.120 71.015 -1.435 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 67.908 15.626 61.399 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 66.954 15.572 61.448 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 68.195 14.718 61.304 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 85.699 18.253 -6.123 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 86.252 18.266 -5.342 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 84.848 17.945 -5.810 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 87.574 68.768 47.248 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 87.510 69.206 46.400 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 88.231 68.083 47.115 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 82.123 29.860 6.797 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 82.486 30.345 6.056 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 81.365 30.374 7.073 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 71.162 58.345 1.802 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 71.052 58.239 2.748 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 70.583 57.686 1.419 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 52.129 26.748 33.877 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 51.874 27.626 34.160 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 53.079 26.725 33.993 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 38.460 2.732 -0.675 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 39.339 3.081 -0.822 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 38.586 1.786 -0.602 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 54.564 18.589 2.649 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 54.316 17.814 3.152 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 53.934 18.620 1.929 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 48.403 76.699 27.893 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 49.217 76.574 27.406 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 47.974 75.844 27.868 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 74.318 96.977 29.661 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 74.576 96.170 29.214 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 73.683 96.694 30.319 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 51.460 72.799 28.872 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 51.653 71.877 28.706 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 50.610 72.945 28.457 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 65.883 82.602 57.388 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 66.159 82.304 58.255 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 64.966 82.336 57.323 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 39.898 53.504 29.401 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 40.800 53.185 29.367 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 39.980 54.457 29.380 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 50.529 14.017 46.404 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 50.348 14.113 45.469 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 50.057 14.741 46.815 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 58.029 11.801 33.072 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 57.325 11.517 33.654 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 57.579 12.141 32.298 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 55.288 49.941 52.242 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 55.830 50.653 52.583 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 55.447 49.949 51.298 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 52.212 83.155 -4.294 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 52.410 82.486 -4.950 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 51.306 82.980 -4.039 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 60.175 5.908 34.596 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 59.515 5.688 35.253 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 60.947 6.156 35.105 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 72.183 57.111 66.374 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 72.235 56.554 67.150 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 72.983 57.636 66.402 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 80.044 57.907 1.745 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 79.550 58.118 2.537 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 80.106 56.952 1.749 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 64.965 96.136 25.855 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 65.851 95.778 25.803 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 64.883 96.688 25.077 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 85.843 82.937 21.764 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 85.140 83.117 22.387 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 86.277 83.781 21.640 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 66.607 46.923 65.646 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 65.919 47.583 65.566 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 67.416 47.428 65.726 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 33.417 75.017 10.076 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 34.289 75.066 9.685 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 32.954 74.366 9.549 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 53.787 11.044 39.088 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 54.386 10.346 38.823 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 54.170 11.397 39.891 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 21.345 12.413 4.255 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 22.238 12.413 4.600 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 21.225 13.294 3.901 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 47.326 21.934 -14.961 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 46.891 22.782 -15.049 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 47.581 21.891 -14.039 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 64.572 92.856 37.299 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 64.234 93.751 37.311 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 63.802 92.310 37.142 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 85.315 32.186 -10.330 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 84.563 31.620 -10.505 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 85.674 31.861 -9.505 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 80.710 40.527 2.720 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 81.607 40.261 2.516 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 80.798 41.408 3.083 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 82.633 1.533 7.773 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 81.805 1.242 7.392 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 83.254 1.511 7.045 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 86.320 94.566 31.168 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 87.077 94.450 30.593 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 86.586 94.170 31.998 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 57.678 94.790 9.091 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 57.474 95.682 8.809 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 58.514 94.591 8.670 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 20.691 87.330 65.449 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 20.007 87.473 66.103 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 20.584 86.415 65.187 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 25.228 55.964 -15.541 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 24.707 56.580 -15.026 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 24.641 55.224 -15.697 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 30.930 13.635 30.991 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 31.288 13.036 30.336 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 31.073 13.190 31.827 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 78.390 33.215 56.712 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 77.544 33.544 57.018 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 78.201 32.826 55.858 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 26.602 84.887 33.405 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 26.673 83.938 33.506 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 27.214 85.243 34.049 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 50.846 68.011 4.615 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 50.829 67.997 5.572 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 50.712 67.098 4.360 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 65.339 25.147 2.982 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 65.310 26.102 2.914 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 66.209 24.910 2.661 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 52.042 44.998 33.525 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 52.255 45.570 32.787 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 52.888 44.792 33.921 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 43.068 4.284 41.331 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 43.973 4.193 41.629 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 42.554 4.333 42.138 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 38.265 73.309 7.865 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 39.183 73.057 7.770 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 38.253 73.893 8.623 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 88.199 66.436 32.391 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 87.407 66.487 31.856 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 88.199 67.247 32.899 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 42.262 89.175 60.285 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 42.493 89.307 61.204 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 41.639 88.448 60.296 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 35.044 39.991 9.723 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 34.619 40.733 10.153 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 35.751 39.741 10.317 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 81.614 18.034 45.523 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 81.652 18.259 46.453 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 82.073 18.750 45.084 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 71.660 77.766 51.430 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 70.758 77.952 51.171 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 71.736 76.814 51.369 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 57.180 46.923 -10.190 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 58.043 46.535 -10.334 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 56.847 46.483 -9.408 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 28.113 70.743 40.129 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 27.963 69.868 39.772 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 27.944 71.334 39.396 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 54.807 93.873 22.103 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 53.859 93.752 22.144 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 54.934 94.815 22.215 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 32.090 70.498 65.085 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 32.700 70.111 65.713 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 31.369 70.826 65.622 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 53.688 79.592 41.258 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 53.668 79.604 40.301 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 54.619 79.616 41.480 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 64.763 47.168 -2.442 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 65.339 47.181 -1.677 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 64.724 48.081 -2.728 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 27.514 50.982 57.741 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 28.233 51.042 58.371 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 26.927 51.699 57.978 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 88.957 95.983 3.526 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 88.512 95.136 3.541 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 88.435 96.538 4.107 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 81.599 75.878 20.253 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 80.684 76.154 20.304 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 81.990 76.193 21.068 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 26.715 83.924 26.316 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 26.397 84.796 26.081 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 27.000 84.010 27.226 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 36.281 69.924 1.702 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 35.461 69.507 1.967 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 36.630 70.303 2.509 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 29.781 85.232 37.523 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 28.974 84.940 37.947 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 30.342 85.518 38.244 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 81.886 37.176 40.320 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 81.625 36.504 39.690 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 82.167 37.915 39.780 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 59.945 46.972 -0.844 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 59.310 47.253 -0.185 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 60.394 46.228 -0.442 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 49.749 52.970 51.572 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 49.568 53.344 50.710 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 49.006 53.238 52.112 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 21.532 51.856 -8.994 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 21.403 51.945 -9.938 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 21.637 50.915 -8.853 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 46.146 28.094 55.080 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 46.811 27.486 54.756 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 46.187 28.837 54.478 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 66.362 31.906 3.202 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 66.772 32.014 4.060 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 65.536 31.458 3.385 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 73.839 16.990 47.944 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 74.307 17.681 48.412 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 73.935 16.216 48.499 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 28.378 33.873 -0.457 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 29.195 34.292 -0.727 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 28.178 33.259 -1.163 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 20.371 30.362 -12.723 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 19.951 30.375 -13.582 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 20.740 31.240 -12.623 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 41.177 9.285 8.962 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 41.085 10.224 8.805 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 40.404 8.896 8.552 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 42.484 29.772 8.680 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 41.611 30.140 8.546 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 42.604 29.780 9.630 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 64.385 62.281 64.795 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 65.070 62.401 64.138 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 64.133 63.170 65.045 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 74.490 76.118 66.684 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 74.863 76.785 67.260 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 73.597 75.996 67.005 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 69.115 1.071 30.983 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 68.828 1.684 30.307 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 69.984 0.789 30.699 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 40.571 10.194 30.897 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 39.635 10.016 30.805 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 40.687 11.066 30.520 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 26.587 37.102 51.504 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 26.880 37.767 50.881 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 27.206 37.165 52.231 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 71.069 81.181 40.132 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 71.475 81.905 40.610 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 70.876 80.528 40.804 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 22.398 85.691 43.534 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 22.925 85.514 42.755 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 22.430 86.642 43.635 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 28.408 86.252 13.353 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 28.811 87.106 13.510 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 29.092 85.739 12.923 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 75.412 23.257 5.968 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 75.625 23.644 6.817 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 74.519 22.929 6.070 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 35.897 71.137 -3.033 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 36.469 71.437 -2.327 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 35.264 71.846 -3.146 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 65.216 31.553 14.619 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 65.440 31.302 13.723 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 64.279 31.746 14.586 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 48.685 79.297 47.034 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 48.793 78.538 47.607 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 47.806 79.621 47.229 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 23.784 69.846 26.004 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 22.962 69.514 25.643 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 24.177 70.345 25.288 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 35.581 0.667 15.465 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 35.795 0.757 14.537 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 35.243 1.527 15.718 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 69.937 61.617 56.020 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 70.096 62.380 56.576 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 70.036 61.946 55.127 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 84.767 75.541 62.065 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 84.940 76.482 62.026 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 85.501 75.142 61.599 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 45.398 82.194 65.821 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 46.132 81.756 66.252 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 45.569 83.127 65.946 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 73.651 77.850 14.453 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 73.232 77.305 13.788 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 73.217 77.608 15.271 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 52.122 17.662 -10.950 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 52.851 18.275 -10.850 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 52.336 17.162 -11.738 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 81.521 26.286 45.396 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 81.144 26.788 44.674 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 80.773 26.063 45.950 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 62.062 86.234 4.793 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 61.936 85.346 5.126 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 62.519 86.116 3.961 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 78.139 48.331 14.274 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 78.379 48.796 15.076 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 77.606 48.956 13.784 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 62.207 48.313 49.580 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 61.674 48.385 48.788 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 63.106 48.247 49.259 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 78.727 71.666 46.411 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 78.132 70.927 46.288 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 78.589 72.217 45.641 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 62.062 59.786 -7.520 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 62.445 59.555 -6.674 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 61.160 59.469 -7.470 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 71.207 61.391 15.744 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 70.812 60.576 16.053 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 70.645 61.671 15.022 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 72.582 65.362 11.856 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 72.607 64.945 12.717 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 71.698 65.723 11.789 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 51.187 69.858 25.032 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 50.808 69.334 24.326 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 51.972 70.247 24.647 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 20.510 66.808 54.858 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 20.297 67.114 53.976 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 20.394 65.859 54.816 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 64.459 19.809 -8.543 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 64.772 20.710 -8.460 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 65.233 19.270 -8.377 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 51.736 70.722 0.828 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 51.573 70.900 1.754 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 52.347 69.985 0.829 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 70.746 71.486 10.151 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 69.881 71.640 10.532 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 70.731 71.964 9.322 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 29.494 16.385 -14.316 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 29.222 16.349 -13.400 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 30.151 15.694 -14.399 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 62.278 1.702 41.542 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 62.901 2.155 40.974 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 62.799 1.032 41.984 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 54.115 92.858 44.085 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 53.523 92.870 43.333 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 54.991 92.883 43.700 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 56.473 49.295 -7.921 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 56.331 48.406 -7.597 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 55.608 49.702 -7.894 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 40.413 0.109 19.806 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 39.748 0.795 19.756 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 39.935 -0.669 20.095 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 33.266 53.031 -10.906 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 32.621 53.532 -10.406 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 33.148 52.127 -10.612 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 78.626 85.892 53.894 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 78.320 84.987 53.937 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 79.482 85.877 54.323 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 41.437 68.698 1.111 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 42.041 68.229 1.687 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 42.004 69.200 0.526 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 65.595 8.984 5.750 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 66.122 9.338 5.034 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 65.945 9.405 6.536 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 81.728 51.266 33.738 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 82.407 51.940 33.723 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 81.475 51.160 32.821 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 83.506 92.714 33.033 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 84.387 92.401 33.240 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 83.558 92.990 32.118 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 35.790 67.664 35.361 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 36.617 67.342 35.721 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 35.919 67.650 34.413 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 81.036 76.005 50.788 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 81.486 76.735 50.362 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 81.476 75.911 51.632 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 36.411 76.621 51.930 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 36.809 75.754 52.001 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 37.027 77.126 51.399 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 43.473 13.082 39.670 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 44.143 13.266 39.011 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 43.304 12.144 39.585 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 45.781 72.194 63.656 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 46.457 72.033 62.997 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 44.957 72.141 63.173 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 62.601 34.155 -6.859 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 63.095 34.899 -7.202 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 62.683 34.231 -5.908 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 40.012 45.705 -13.778 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 40.806 46.231 -13.880 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 39.299 46.343 -13.787 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 87.776 45.873 -7.720 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 87.086 46.454 -7.399 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 87.425 45.510 -8.533 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 30.304 92.553 44.025 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 29.771 92.453 43.236 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 31.174 92.252 43.766 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 36.036 11.275 -14.391 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 36.749 10.935 -14.932 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 35.883 12.159 -14.725 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 31.541 75.820 56.886 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 30.607 75.768 56.681 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 31.570 76.104 57.800 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 24.369 80.385 4.251 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 24.966 79.749 4.645 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 24.276 81.070 4.913 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 89.711 10.498 5.012 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 90.332 11.160 4.710 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 88.853 10.912 4.916 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 57.095 79.388 22.696 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 56.705 78.620 23.114 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 57.196 79.137 21.778 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 45.301 90.802 -17.307 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 44.795 90.253 -17.907 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 45.441 90.250 -16.538 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 75.672 15.988 39.189 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 76.261 16.020 38.435 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 75.328 16.878 39.264 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 74.889 4.748 64.204 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 74.012 5.049 63.966 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 75.462 5.128 63.538 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 79.279 80.056 40.428 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 78.836 80.641 41.044 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 78.577 79.517 40.063 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 86.202 13.853 38.029 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 87.098 13.866 37.693 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 86.048 14.746 38.337 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 87.116 81.727 5.177 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 87.458 80.891 4.858 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 86.605 81.497 5.953 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 57.216 63.277 56.622 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 57.199 62.400 57.007 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 56.912 63.150 55.723 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 50.274 78.982 -14.145 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 50.534 78.064 -14.219 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 49.485 78.965 -13.603 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 78.106 77.205 -5.215 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 77.793 76.303 -5.148 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 78.165 77.370 -6.156 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 44.202 51.785 40.780 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 44.091 52.616 40.316 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 43.568 51.196 40.371 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 83.877 59.534 7.362 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 82.927 59.645 7.382 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 84.218 60.412 7.190 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 85.598 60.257 2.686 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 85.077 59.454 2.655 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 86.267 60.082 3.348 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 66.219 9.481 31.923 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 66.826 9.071 32.540 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 66.416 9.069 31.082 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 70.913 13.863 63.336 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 71.421 14.018 62.540 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 71.488 14.146 64.047 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 37.341 84.382 3.072 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 37.745 84.473 2.209 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 36.686 85.079 3.105 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 43.459 77.053 61.393 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 43.070 77.869 61.079 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 44.112 77.329 62.035 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 26.215 31.995 53.283 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 26.191 32.458 52.445 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 25.922 32.643 53.924 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 55.051 26.288 11.165 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 54.145 26.311 10.857 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 55.151 27.089 11.679 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 30.708 61.083 10.279 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 31.375 61.675 10.628 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 29.960 61.192 10.866 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 69.826 77.570 42.609 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 70.162 77.478 41.717 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 70.121 78.436 42.888 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 40.472 83.618 11.769 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 39.830 84.305 11.589 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 41.312 84.003 11.518 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 29.497 49.274 64.837 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 28.841 49.461 65.509 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 30.125 48.696 65.270 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 44.066 9.561 25.673 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 43.381 10.092 25.268 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 43.936 9.679 26.614 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 34.411 2.754 20.174 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 34.698 3.014 21.050 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 35.045 2.091 19.901 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 61.149 87.096 26.814 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 60.510 87.592 27.326 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 61.070 86.198 27.137 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 73.753 47.015 10.930 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 72.930 47.481 10.776 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 73.648 46.621 11.796 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 28.746 46.710 45.782 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 28.063 47.277 46.141 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 29.564 47.079 46.116 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 39.528 74.358 -14.585 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 38.756 74.460 -14.029 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 40.004 73.621 -14.202 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 34.050 84.590 56.885 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 33.764 83.718 57.158 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 34.870 84.438 56.417 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 62.858 73.933 28.528 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 62.743 72.984 28.488 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 61.973 74.278 28.650 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 46.654 1.103 3.171 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 46.036 1.807 2.974 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 47.367 1.227 2.545 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 89.984 78.375 43.208 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 90.079 79.238 42.805 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 89.108 78.086 42.951 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 71.749 60.311 4.728 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 71.092 60.926 4.401 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 72.013 60.671 5.575 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 48.138 71.863 44.957 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 47.791 72.178 44.122 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 48.402 70.960 44.781 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 74.095 21.411 66.617 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 74.377 21.008 65.796 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 73.185 21.664 66.460 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 35.993 66.642 54.014 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 36.470 66.881 53.219 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 35.366 67.354 54.140 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 48.765 14.925 43.821 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 49.321 14.305 43.349 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 47.871 14.659 43.604 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 21.590 92.843 33.740 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 21.947 92.078 33.289 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 22.171 93.561 33.491 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 24.284 0.348 41.644 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 24.371 -0.574 41.403 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 24.265 0.814 40.808 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 81.924 56.758 45.530 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 80.984 56.581 45.568 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 82.245 56.540 46.405 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 36.042 15.328 49.537 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 36.492 15.091 50.348 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 36.679 15.855 49.055 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 49.598 92.090 48.367 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 49.183 91.235 48.257 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 50.321 91.930 48.974 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 64.831 59.329 17.131 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 64.104 59.799 16.723 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 64.648 58.406 16.957 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 38.934 40.193 56.672 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 38.400 40.447 55.919 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 39.369 41.002 56.940 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 55.592 78.252 -4.953 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 55.220 77.428 -5.265 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 56.490 78.251 -5.284 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 85.786 19.659 0.964 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 86.245 19.052 0.383 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 86.474 20.024 1.521 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 37.895 16.947 48.568 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 38.078 16.558 47.712 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 37.775 17.879 48.387 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 26.722 63.182 57.229 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 27.244 63.807 56.726 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 27.362 62.711 57.764 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 81.894 55.154 6.023 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 82.756 54.955 6.386 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 81.894 54.737 5.161 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 42.117 91.518 39.162 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 41.692 90.709 39.446 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 43.018 91.261 38.966 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 47.694 12.804 61.697 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 46.942 12.936 61.120 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 47.987 11.912 61.509 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 60.509 9.727 30.334 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 59.868 10.437 30.329 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 60.027 8.970 30.667 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 67.746 45.823 5.406 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 66.929 46.230 5.695 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 67.537 44.892 5.331 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 51.160 12.418 55.753 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 51.758 11.857 56.248 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 50.364 11.894 55.657 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 46.390 14.457 8.241 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 47.294 14.384 7.936 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 46.466 14.690 9.167 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 39.643 78.522 65.989 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 39.296 77.957 65.299 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 40.182 79.163 65.526 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 20.895 65.779 43.715 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 21.333 65.209 44.347 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 20.744 65.219 42.953 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 83.200 16.732 51.976 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 83.739 16.444 51.239 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 82.352 16.314 51.831 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 88.664 14.843 -0.543 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 87.795 14.453 -0.641 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 89.230 14.312 -1.102 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 64.257 80.074 22.493 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 64.510 79.225 22.131 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 64.142 79.912 23.429 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 60.511 19.874 24.757 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 60.282 20.670 24.277 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 59.737 19.681 25.286 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 79.223 79.166 -13.960 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 78.718 78.555 -14.497 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 78.981 78.951 -13.060 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 73.934 67.656 23.904 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 73.577 68.543 23.883 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 73.820 67.373 24.812 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 72.456 0.734 32.890 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 72.084 0.309 32.117 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 71.719 1.196 33.289 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 68.419 4.465 58.631 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 68.936 3.813 58.158 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 67.737 3.958 59.071 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 87.776 52.402 5.931 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 88.022 52.307 6.851 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 87.476 51.531 5.671 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 34.251 48.352 26.993 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 35.129 48.096 27.272 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 34.197 48.069 26.080 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 47.729 84.582 -11.412 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 46.972 84.044 -11.647 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 47.443 85.076 -10.644 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 47.887 11.919 7.231 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 47.089 12.073 7.736 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 47.593 11.884 6.321 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 89.215 57.357 23.476 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 89.609 57.465 24.341 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 88.483 56.756 23.619 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 48.847 63.279 4.114 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 49.486 63.983 4.005 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 48.714 63.221 5.060 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 57.486 62.775 -5.949 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 56.662 62.937 -5.490 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 57.227 62.339 -6.761 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 48.945 61.969 57.665 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 49.139 61.677 56.775 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 49.244 62.878 57.690 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 49.831 14.487 56.596 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 49.634 14.044 57.421 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 50.319 13.840 56.086 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 81.306 7.118 9.369 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 81.519 6.879 8.467 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 81.056 6.292 9.783 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 82.011 25.690 66.395 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 81.995 25.863 67.336 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 82.300 26.514 66.003 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 34.688 70.314 -14.365 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 35.627 70.312 -14.551 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 34.279 70.049 -15.189 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 63.535 84.106 9.854 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 64.167 83.502 10.245 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 62.706 83.627 9.866 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 85.505 88.004 -3.622 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 86.390 87.951 -3.261 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 85.182 88.860 -3.343 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 60.350 29.884 1.734 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 59.953 29.734 0.876 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 60.833 30.705 1.635 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 73.319 66.339 9.290 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 73.202 65.919 10.142 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 72.436 66.598 9.027 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 24.871 8.526 41.983 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 24.123 8.024 41.660 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 25.407 7.886 42.450 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 73.390 6.515 -8.020 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 72.623 6.060 -8.368 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 73.955 6.650 -8.781 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 35.147 57.371 21.823 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 34.902 58.224 21.465 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 35.121 57.492 22.772 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 61.047 61.504 31.522 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 60.225 61.202 31.908 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 60.816 61.746 30.625 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 42.589 35.833 -1.847 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 42.093 35.496 -1.101 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 42.473 36.782 -1.804 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 85.822 77.763 43.683 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 86.164 76.869 43.689 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 86.426 78.247 43.120 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 50.659 4.060 24.850 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 49.831 4.276 25.278 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 51.267 4.737 25.147 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 83.723 93.872 7.881 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 83.508 93.674 6.969 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 84.464 94.475 7.827 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 41.905 53.236 65.605 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 42.801 53.020 65.865 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 41.911 53.173 64.650 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 23.746 28.648 57.066 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 24.521 28.085 57.072 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 23.901 29.276 57.771 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 49.864 47.805 54.333 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 50.425 48.201 55.001 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 49.735 48.500 53.687 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 20.389 75.752 -15.002 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 21.123 75.387 -14.508 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 20.040 76.443 -14.439 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 24.224 38.072 3.138 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 24.208 37.775 4.047 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 25.061 37.756 2.797 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 85.909 25.684 -9.551 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 86.845 25.768 -9.732 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 85.769 24.743 -9.444 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 62.081 69.543 -8.442 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 62.940 69.197 -8.201 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 61.864 69.098 -9.261 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 58.025 81.335 17.399 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 58.524 81.664 18.146 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 57.123 81.285 17.715 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 61.736 9.296 -12.286 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 60.850 9.109 -11.975 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 62.289 8.662 -11.830 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 37.024 91.494 37.823 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 37.449 92.282 37.484 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 37.560 91.236 38.573 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 24.527 62.048 -3.667 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 25.168 61.644 -3.083 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 23.881 62.441 -3.080 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 37.310 67.242 21.407 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 37.910 67.586 20.745 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 37.790 67.321 22.231 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 35.457 70.028 22.792 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 35.338 70.023 21.842 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 35.332 69.116 23.055 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 44.042 61.032 41.870 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 44.188 61.520 41.059 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 44.097 60.112 41.609 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 71.280 63.517 27.513 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 71.874 63.436 28.259 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 70.832 62.672 27.470 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 40.453 3.686 61.627 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 40.707 3.638 60.705 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 41.222 4.045 62.070 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 83.709 34.173 0.014 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 82.788 34.432 0.047 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 83.890 33.819 0.884 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 73.320 90.338 -19.184 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 73.033 90.071 -20.058 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 72.702 91.023 -18.928 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 83.577 60.318 -6.173 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 84.239 59.773 -5.747 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 83.680 61.180 -5.769 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 24.362 95.885 22.155 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 24.439 96.547 22.843 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 25.123 95.319 22.281 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 41.827 45.920 -2.204 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 42.222 46.321 -1.430 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 41.318 45.185 -1.861 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 33.845 8.527 63.861 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 33.844 7.793 63.246 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 32.926 8.787 63.925 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 80.664 66.700 -10.433 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 80.109 67.470 -10.556 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 80.049 65.980 -10.292 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 23.978 46.111 -15.348 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 24.213 47.025 -15.507 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 24.589 45.821 -14.671 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 50.155 16.259 41.248 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 50.091 16.653 42.118 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 50.159 17.004 40.647 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 22.088 67.614 19.369 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 22.103 68.393 19.925 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 22.284 66.891 19.965 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 43.768 65.265 -19.282 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 44.347 65.252 -20.044 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 42.894 65.119 -19.643 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 29.675 71.896 -13.407 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 30.100 72.726 -13.625 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 29.558 71.928 -12.457 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 80.378 64.043 56.702 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 80.970 64.712 57.047 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 79.678 64.538 56.277 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 58.652 65.636 19.083 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 57.759 65.521 18.757 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 59.112 64.843 18.807 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 70.705 91.638 13.819 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 71.532 91.899 13.413 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 70.947 91.371 14.706 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 55.928 77.922 14.876 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 56.021 78.098 15.812 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 56.256 77.029 14.766 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 30.158 15.277 49.578 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 29.359 15.626 49.972 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 30.619 14.855 50.303 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 48.481 83.280 9.610 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 49.066 83.742 9.010 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 48.540 82.363 9.344 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 72.902 93.421 -10.094 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 72.569 94.113 -10.666 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 72.584 92.609 -10.488 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 30.823 3.301 16.778 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 30.182 2.654 17.070 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 30.564 4.111 17.217 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 80.823 69.654 5.062 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 80.958 70.244 5.803 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 81.688 69.280 4.892 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 23.016 26.033 -1.622 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 22.146 25.634 -1.617 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 23.147 26.313 -2.527 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 25.463 20.154 59.206 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 26.116 19.478 59.385 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 25.548 20.328 58.268 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 32.814 3.680 -18.777 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 32.352 4.239 -18.152 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 33.213 2.997 -18.239 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 36.670 45.677 -11.761 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 36.059 46.143 -11.191 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 36.576 46.101 -12.614 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 41.519 73.708 3.038 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 41.875 73.289 3.822 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 41.329 72.983 2.444 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 89.975 71.482 13.699 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 90.507 72.273 13.608 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 90.346 70.870 13.063 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 44.104 29.715 6.377 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 44.956 29.287 6.454 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 43.616 29.420 7.145 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 75.079 70.071 5.619 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 74.934 70.900 5.163 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 74.200 69.725 5.772 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 54.366 39.034 42.433 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 55.270 38.874 42.163 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 53.958 39.446 41.671 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 50.531 84.260 0.166 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 50.179 84.623 0.978 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 50.612 83.322 0.336 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 80.091 62.120 47.756 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 79.196 62.122 48.095 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 80.644 62.105 48.537 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 53.502 79.165 29.166 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 53.706 78.398 28.631 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 52.604 79.019 29.463 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 78.123 86.077 15.134 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 78.409 85.588 15.906 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 78.891 86.586 14.874 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 68.990 80.058 -1.504 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 69.485 79.428 -2.028 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 69.197 79.831 -0.597 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 75.041 12.686 52.918 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 75.343 11.778 52.921 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 74.189 12.657 53.352 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 62.350 13.658 20.433 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 63.011 13.182 19.930 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 62.547 13.451 21.346 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 37.088 68.512 63.571 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 37.623 67.747 63.785 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 37.517 68.898 62.807 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 68.505 23.425 34.486 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 69.272 23.979 34.341 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 68.410 22.930 33.672 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 79.407 81.345 26.013 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 78.932 82.168 26.128 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 78.999 80.743 26.635 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 90.822 53.298 56.131 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 90.986 54.230 55.986 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 89.939 53.264 56.498 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 31.769 10.142 -9.917 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 31.407 9.434 -9.385 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 31.550 9.901 -10.818 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 59.316 86.077 9.104 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 58.572 86.223 9.688 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 60.051 85.903 9.693 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 65.838 14.013 52.553 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 65.289 14.780 52.388 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 66.486 14.027 51.848 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 65.009 89.085 -5.875 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 64.168 88.774 -5.542 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 64.780 89.672 -6.595 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 21.209 23.803 43.983 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 22.121 23.533 44.090 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 20.703 23.004 44.133 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 42.636 3.883 38.412 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 41.745 3.840 38.065 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 42.522 4.051 39.347 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 76.444 62.722 56.567 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 76.963 63.109 55.862 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 75.818 62.152 56.121 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 40.153 47.552 44.628 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 39.922 47.843 45.510 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 39.609 48.085 44.049 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 56.493 80.507 44.856 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 56.507 79.560 44.719 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 56.778 80.876 44.020 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 62.143 9.858 27.408 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 61.415 9.601 27.974 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 62.896 9.381 27.755 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 48.233 55.969 62.413 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 48.970 55.954 63.023 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 48.509 56.566 61.717 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 34.645 77.724 28.536 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 35.323 77.667 27.863 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 34.486 78.663 28.638 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 44.728 16.530 55.957 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 45.333 15.983 55.456 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 44.893 17.419 55.644 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 37.388 55.422 57.271 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 36.858 56.118 56.883 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 38.036 55.210 56.599 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 40.480 95.173 -16.940 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 40.126 95.992 -16.595 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 40.383 94.548 -16.221 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 31.636 89.275 7.388 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 31.294 88.598 7.971 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 31.487 90.095 7.860 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 72.560 55.578 55.150 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 73.413 56.002 55.059 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 72.076 56.138 55.757 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 42.791 44.936 -4.826 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 42.339 45.180 -4.018 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 43.409 45.650 -4.981 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 53.006 2.337 -17.701 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 52.266 1.918 -17.261 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 52.870 2.150 -18.630 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 39.810 82.360 8.380 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 40.753 82.522 8.381 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 39.693 81.611 8.964 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 64.472 3.776 -1.690 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 64.933 4.610 -1.782 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 64.296 3.499 -2.589 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 31.218 34.019 35.258 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 31.566 33.210 35.631 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 31.851 34.264 34.584 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 22.931 46.062 27.543 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 22.924 46.428 28.427 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 22.445 46.697 27.016 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 36.968 43.221 40.589 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 36.747 42.353 40.927 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 37.563 43.589 41.242 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 75.266 77.109 40.569 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 74.587 77.032 39.899 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 74.849 76.797 41.371 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 88.644 32.051 24.082 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 89.563 32.217 24.291 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 88.177 32.220 24.900 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 66.072 55.149 64.039 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 65.491 55.611 63.435 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 65.701 54.269 64.103 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 44.641 34.385 66.814 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 43.729 34.630 66.974 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 45.110 34.684 67.592 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 53.903 10.490 24.899 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 53.328 9.726 24.839 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 54.055 10.748 23.990 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 88.562 51.087 12.558 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 89.082 51.712 12.052 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 88.384 51.535 13.384 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 64.297 39.419 35.879 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 63.629 38.859 35.483 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 64.584 39.990 35.166 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 83.340 34.856 -5.960 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 83.077 33.951 -5.796 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 83.678 35.164 -5.119 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 27.443 17.520 60.685 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 28.272 17.051 60.777 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 27.329 17.973 61.520 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 57.873 88.531 -16.614 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 57.128 88.727 -17.181 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 57.996 87.585 -16.697 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 21.940 1.548 5.277 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 21.360 2.092 4.744 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 21.641 0.653 5.118 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 78.854 96.645 1.404 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 78.671 95.843 0.914 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 78.014 97.103 1.434 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 73.822 64.005 5.851 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 73.584 63.716 6.732 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 74.041 64.931 5.953 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 65.334 70.292 47.114 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 64.494 70.283 47.574 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 65.283 69.554 46.507 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 56.573 5.618 30.006 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 56.737 5.674 30.947 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 56.508 6.529 29.719 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 68.982 12.199 48.353 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 69.397 12.933 48.808 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 68.376 12.611 47.737 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 36.070 77.307 14.108 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 35.892 78.216 13.868 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 36.548 77.366 14.935 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 69.896 85.947 30.472 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 70.055 85.068 30.816 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 70.277 85.933 29.594 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 66.237 89.764 18.333 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 65.419 90.166 18.627 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 66.006 89.315 17.521 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 26.006 54.080 2.758 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 25.104 53.812 2.939 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 26.435 54.068 3.614 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 71.714 81.179 2.747 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 70.935 81.729 2.828 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 72.334 81.714 2.251 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 65.752 79.132 -17.934 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 65.187 79.307 -17.181 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 66.293 78.391 -17.662 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 76.739 52.892 48.054 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 75.807 52.682 47.981 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 77.109 52.635 47.209 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 76.364 77.428 4.770 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 76.186 78.368 4.761 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 76.437 77.206 5.698 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 44.805 20.372 -19.569 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 44.506 20.565 -18.681 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 45.750 20.517 -19.542 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 83.137 69.497 14.013 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 82.264 69.274 13.690 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 83.735 69.034 13.427 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 85.114 75.391 29.745 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 85.575 74.976 29.016 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 84.286 74.916 29.808 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 65.635 5.899 55.498 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 65.568 6.829 55.714 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 66.490 5.812 55.076 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 74.668 89.403 6.629 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 74.261 88.652 6.198 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 75.604 89.298 6.462 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 26.173 33.802 51.164 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 26.320 34.093 50.264 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 26.556 34.492 51.705 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 84.346 70.272 -5.807 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 83.600 69.677 -5.738 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 84.511 70.343 -6.747 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 25.151 32.818 5.180 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 24.532 33.199 4.558 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 25.198 33.455 5.893 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 35.777 88.009 -12.260 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 36.278 88.824 -12.281 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 36.410 87.345 -11.985 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 55.924 90.214 54.445 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 55.718 89.392 54.000 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 56.523 89.963 55.148 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 48.083 10.713 25.179 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 47.315 11.283 25.223 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 48.199 10.538 24.246 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 23.505 95.692 19.756 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 23.839 95.891 20.631 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 22.717 96.230 19.672 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 84.326 10.626 1.117 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 85.167 10.183 1.007 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 84.204 11.115 0.303 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 34.117 57.648 65.268 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 33.297 57.819 65.730 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 34.027 56.752 64.943 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 35.169 0.680 54.881 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 34.647 0.761 55.680 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 35.918 0.142 55.138 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 35.683 30.855 -15.287 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 35.350 31.294 -14.504 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 34.966 30.285 -15.565 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 86.893 89.266 -15.892 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 87.110 89.118 -14.971 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 86.123 88.719 -16.047 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 59.430 95.913 55.591 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 60.264 96.381 55.562 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 59.003 96.132 54.763 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 29.612 82.661 27.761 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 29.786 83.572 27.527 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 29.782 82.170 26.957 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 56.140 83.231 -5.790 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 56.444 84.115 -5.996 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 55.188 83.313 -5.731 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 71.941 30.662 -0.384 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 72.200 29.806 -0.041 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 72.766 31.088 -0.616 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 48.178 3.828 37.635 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 47.826 3.654 38.508 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 49.125 3.720 37.731 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 81.264 36.043 26.420 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 82.178 35.906 26.669 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 81.142 35.496 25.645 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 67.004 31.163 -7.656 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 66.456 31.116 -6.874 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 66.791 32.009 -8.049 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 57.259 15.597 -7.594 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 57.667 14.731 -7.585 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 56.580 15.550 -6.921 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 38.291 10.990 48.162 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 38.869 11.709 48.421 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 37.426 11.253 48.476 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 39.015 60.490 9.978 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 39.817 60.866 10.341 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 39.318 59.906 9.283 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 43.542 79.777 20.196 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 42.819 79.151 20.225 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 43.850 79.830 21.101 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 74.854 76.930 59.473 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 74.138 76.298 59.540 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 75.319 76.682 58.674 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 33.670 84.410 20.672 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 34.421 84.244 20.103 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 33.549 83.592 21.155 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 42.786 53.509 5.516 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 43.495 53.508 6.158 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 41.990 53.406 6.037 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 77.923 63.239 2.092 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 77.229 63.332 2.745 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 77.738 62.405 1.662 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 32.654 82.557 -5.143 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 31.928 83.179 -5.100 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 32.302 81.810 -5.626 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 80.939 7.458 50.461 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 80.046 7.113 50.447 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 81.496 6.686 50.362 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 76.691 10.230 45.505 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 75.971 10.329 46.129 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 76.849 11.115 45.179 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 90.440 16.911 6.808 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 89.819 17.352 6.229 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 90.578 17.528 7.527 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 89.721 36.352 46.427 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 90.214 35.555 46.620 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 90.043 36.993 47.061 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 63.086 73.247 14.908 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 62.206 73.194 14.534 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 63.561 72.520 14.507 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 89.306 78.749 33.272 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 89.575 78.393 34.118 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 90.113 79.094 32.889 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 74.952 55.365 46.703 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 75.376 55.415 45.846 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 74.105 55.792 46.577 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 33.529 2.731 6.216 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 33.303 2.909 5.303 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 32.747 2.316 6.580 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 54.512 42.967 -15.026 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 53.676 43.088 -15.475 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 54.583 43.724 -14.444 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 61.615 56.771 19.426 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 61.481 56.040 18.824 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 60.732 57.086 19.622 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 70.330 66.729 31.574 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 69.959 66.129 32.221 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 69.655 67.397 31.452 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 55.678 80.715 54.991 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 55.097 81.459 54.832 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 56.354 80.790 54.317 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 83.826 26.536 57.317 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 83.823 26.124 58.181 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 82.938 26.404 56.985 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 57.071 94.607 24.345 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 56.143 94.470 24.535 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 57.209 94.180 23.500 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 69.663 61.390 -3.909 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 69.558 61.375 -2.958 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 69.195 60.613 -4.215 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 32.209 59.482 -16.309 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 32.003 59.280 -15.397 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 33.151 59.651 -16.311 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 23.621 49.791 11.543 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 24.558 49.762 11.350 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 23.574 50.002 12.475 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 46.797 21.788 46.509 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 46.736 22.728 46.341 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 46.365 21.381 45.757 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 73.481 58.207 39.775 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 72.603 58.080 40.135 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 73.348 58.765 39.009 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 72.631 78.031 45.388 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 72.333 77.154 45.627 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 71.913 78.608 45.650 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 64.046 69.907 17.111 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 63.710 69.492 17.905 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 63.511 69.545 16.405 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 48.171 59.060 51.032 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 47.277 59.038 51.374 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 48.377 59.992 50.957 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 24.331 87.546 47.923 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 24.737 87.118 47.169 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 24.150 88.437 47.624 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 45.834 42.486 12.227 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 46.648 42.776 12.640 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 45.381 41.992 12.910 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 71.840 69.791 -5.383 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 70.999 69.684 -5.827 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 71.821 69.147 -4.674 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 28.265 82.587 42.016 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 29.024 82.328 42.539 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 27.522 82.163 42.445 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 40.597 23.037 -0.845 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 40.445 22.226 -0.359 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 41.077 23.597 -0.235 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 50.932 43.850 53.821 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 50.007 44.072 53.717 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 50.929 42.949 54.145 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 31.597 73.667 8.674 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 31.172 73.250 9.423 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 31.214 74.543 8.638 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 22.467 38.253 -14.076 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 21.943 37.551 -13.690 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 22.887 37.850 -14.836 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 55.991 18.235 -12.992 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 55.506 18.233 -12.167 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 56.788 18.731 -12.800 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 42.104 85.313 22.166 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 42.859 85.872 21.980 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 42.450 84.622 22.731 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 32.866 26.254 52.688 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 32.565 26.104 51.791 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 32.354 27.003 52.991 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 66.628 2.500 56.799 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 67.543 2.778 56.834 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 66.475 2.295 55.876 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 55.285 61.593 -19.305 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 55.441 62.533 -19.395 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 54.332 61.505 -19.310 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 86.038 83.524 3.071 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 86.776 84.040 2.746 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 86.339 83.177 3.911 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 67.027 64.379 32.659 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 66.136 64.429 33.003 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 66.949 63.854 31.863 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 41.544 66.396 45.675 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 41.565 66.776 46.553 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 41.225 67.104 45.115 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 36.084 81.889 54.735 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 36.069 82.835 54.584 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 36.418 81.521 53.917 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 36.206 53.866 -8.053 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 36.313 53.244 -7.333 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 35.290 54.139 -7.999 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 38.877 8.767 24.570 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 39.170 9.185 23.761 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 39.209 9.332 25.267 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 40.161 70.972 59.705 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 39.588 70.210 59.623 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 41.015 70.606 59.935 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 42.744 59.037 3.212 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 42.435 59.001 4.117 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 43.687 59.181 3.285 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 80.325 72.074 -10.814 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 81.138 71.773 -11.218 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 80.426 73.023 -10.748 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 51.080 79.718 -3.166 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 51.578 80.305 -2.596 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 51.714 79.055 -3.440 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 45.029 45.312 -8.032 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 45.839 45.657 -8.408 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 44.683 46.033 -7.507 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 69.659 8.170 63.348 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 70.172 7.552 63.868 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 69.271 8.762 63.992 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 45.296 52.874 7.175 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 45.935 53.042 6.483 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 45.506 53.513 7.856 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 69.659 59.164 -12.822 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 69.048 59.130 -13.557 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 70.071 58.300 -12.813 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 31.564 54.398 56.704 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 30.809 53.881 56.423 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 31.321 54.726 57.570 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 55.294 82.566 49.931 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 54.464 82.122 49.754 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 55.583 82.885 49.077 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 39.208 54.362 32.345 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 38.332 54.184 32.004 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 39.078 55.059 32.988 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 32.715 68.111 59.420 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 32.176 67.811 58.687 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 32.323 67.699 60.190 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 85.628 16.383 39.761 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 85.018 17.118 39.829 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 85.691 16.039 40.652 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 84.968 7.041 -14.752 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 84.826 7.984 -14.669 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 84.975 6.720 -13.850 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 58.507 78.106 -4.661 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 59.200 78.564 -5.136 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 58.378 78.624 -3.866 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 76.263 0.564 2.614 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 75.410 0.806 2.254 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 76.130 0.554 3.562 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 56.210 47.524 56.594 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 55.725 48.171 56.082 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 56.597 48.026 57.311 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 36.604 82.963 -10.538 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 35.870 83.431 -10.937 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 36.412 82.971 -9.600 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 32.426 94.926 53.797 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 32.029 94.133 53.436 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 33.066 95.194 53.138 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 25.408 18.365 -2.905 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 26.297 18.021 -2.985 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 25.481 19.284 -3.162 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 62.372 80.837 30.608 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 62.244 81.629 31.129 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 61.852 80.169 31.056 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 83.334 57.864 -18.310 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 82.962 57.155 -17.785 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 84.059 57.456 -18.784 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 46.298 88.707 12.404 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 45.525 88.948 12.914 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 46.953 89.365 12.637 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 82.732 72.089 3.957 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 83.256 72.293 4.732 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 82.028 71.529 4.285 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 35.864 17.432 51.697 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 35.113 17.465 51.105 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 36.360 16.664 51.412 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 62.962 19.029 26.156 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 62.904 19.718 26.817 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 62.250 19.220 25.546 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 20.404 77.543 1.231 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 20.562 77.346 0.307 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 20.566 76.716 1.684 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 60.229 63.532 52.671 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 60.419 64.360 52.228 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 59.274 63.471 52.665 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 45.958 95.280 29.284 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 46.906 95.392 29.352 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 45.798 95.156 28.348 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 36.790 47.321 47.982 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 36.655 47.902 48.731 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 37.644 47.574 47.633 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 44.898 3.283 -15.798 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 45.769 3.070 -15.463 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 44.423 2.452 -15.778 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 44.737 86.219 56.805 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 44.817 86.897 56.134 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 44.563 86.700 57.614 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 31.541 55.720 8.745 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 31.863 56.601 8.935 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 32.080 55.145 9.288 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 70.150 79.345 -15.918 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 70.077 78.518 -16.396 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 71.052 79.359 -15.599 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 70.048 83.353 8.256 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 70.995 83.467 8.335 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 69.763 84.081 7.704 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 30.574 81.937 -2.836 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 30.073 82.274 -3.578 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 31.480 81.922 -3.145 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 45.750 23.895 57.358 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 44.947 24.342 57.627 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 46.021 23.403 58.133 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 63.598 70.077 40.580 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 64.346 70.652 40.741 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 63.719 69.771 39.681 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 80.558 63.104 26.998 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 80.266 63.530 26.192 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 81.512 63.080 26.924 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 65.146 56.575 -17.367 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 64.631 55.849 -17.720 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 64.576 57.338 -17.456 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 65.245 92.703 25.886 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 65.100 93.108 26.741 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 66.193 92.743 25.759 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 64.359 31.211 63.176 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 63.470 31.186 62.821 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 64.551 30.301 63.404 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 70.541 18.280 2.902 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 70.477 17.376 3.212 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 71.205 18.251 2.214 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 27.428 80.535 36.243 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 27.916 81.148 36.793 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 26.984 81.089 35.601 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 65.484 92.565 22.481 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 66.285 92.471 22.998 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 65.707 92.200 21.625 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 61.411 56.456 -13.797 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 62.254 56.910 -13.816 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 61.441 55.863 -14.547 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 84.523 66.847 39.521 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 84.455 66.864 40.476 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 85.464 66.802 39.349 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 51.157 75.422 47.167 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 51.060 75.171 46.249 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 51.194 74.590 47.640 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 74.429 48.066 47.089 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 73.624 48.389 46.685 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 74.233 48.039 48.026 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 37.495 14.190 -10.454 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 37.450 13.897 -9.544 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 36.585 14.368 -10.693 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 70.890 82.181 17.607 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 70.386 82.990 17.691 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 71.159 82.160 16.689 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 83.858 57.578 -7.717 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 84.077 56.735 -8.114 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 84.075 57.471 -6.791 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 54.868 10.078 -10.243 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 54.228 10.468 -10.838 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 55.626 9.889 -10.796 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 86.169 73.370 41.341 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 85.923 72.450 41.251 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 85.841 73.786 40.544 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 84.693 47.715 22.689 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 85.412 47.776 23.318 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 85.022 47.133 22.004 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 71.153 25.573 56.176 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 71.717 25.627 55.404 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 70.468 24.952 55.929 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 60.983 42.354 67.210 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 61.055 42.953 67.953 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 61.303 42.859 66.462 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 59.984 69.923 63.572 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 60.028 70.743 63.080 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 59.220 70.026 64.141 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 32.114 68.924 -18.510 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 32.579 68.958 -19.346 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 31.921 67.995 -18.381 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 50.461 18.222 2.824 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 50.708 17.623 3.529 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 49.703 18.695 3.166 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 82.082 37.514 37.451 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 82.826 38.101 37.316 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 82.476 36.648 37.556 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 62.171 45.007 52.433 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 61.977 45.944 52.423 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 61.458 44.621 52.943 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 67.666 73.420 66.083 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 66.799 73.826 66.076 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 67.875 73.285 65.159 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 60.642 73.963 0.435 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 60.092 74.730 0.274 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 60.033 73.225 0.426 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 33.940 67.717 -16.227 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 34.374 67.654 -15.376 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 34.409 67.093 -16.781 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 51.833 19.601 46.588 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 52.297 18.774 46.455 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 51.371 19.487 47.418 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 73.103 71.001 15.465 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 73.780 71.675 15.514 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 72.387 71.414 14.981 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 82.457 83.427 15.234 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 83.361 83.627 14.988 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 82.534 82.719 15.874 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 52.807 26.781 41.219 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 52.050 26.757 40.634 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 53.033 25.862 41.359 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 27.618 28.044 29.711 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 27.456 27.888 28.781 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 28.475 28.471 29.737 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 81.149 38.349 -14.775 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 81.324 38.355 -13.834 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 80.881 39.246 -14.975 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 62.550 75.705 -19.635 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 61.618 75.803 -19.831 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 62.601 74.908 -19.107 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 47.130 76.035 54.106 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 46.520 75.708 53.444 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 47.463 76.855 53.740 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 57.598 4.960 -0.199 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 57.464 4.176 0.334 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 58.336 5.408 0.214 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 54.989 84.893 27.749 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 54.105 85.117 28.041 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 54.860 84.200 27.102 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 61.362 2.318 -12.910 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 61.977 2.118 -12.204 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 61.407 1.559 -13.491 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 41.687 90.181 3.825 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 40.799 89.903 4.051 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 42.256 89.580 4.306 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 50.711 68.208 47.992 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 51.243 67.424 48.127 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 50.071 68.189 48.703 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 63.157 69.061 38.104 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 62.201 69.117 38.085 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 63.412 68.994 37.184 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 89.394 60.500 -15.515 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 88.845 59.869 -15.980 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 88.858 61.292 -15.465 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 67.622 70.879 28.701 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 67.843 70.210 28.053 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 66.675 70.992 28.616 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 59.199 79.915 37.684 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 59.168 78.981 37.892 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 58.695 79.998 36.874 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 64.090 27.809 60.002 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 63.302 27.826 59.460 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 64.692 27.231 59.534 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 24.955 82.150 35.413 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 24.976 82.397 34.489 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 24.413 81.361 35.438 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 88.313 75.445 -5.014 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 88.510 74.814 -5.705 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 87.432 75.758 -5.219 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 74.196 30.249 30.414 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 75.072 29.972 30.683 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 73.796 30.591 31.213 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 72.136 33.441 54.949 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 71.976 34.375 54.817 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 72.777 33.210 54.276 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 35.609 12.683 35.349 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 35.118 12.396 34.580 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 35.909 13.565 35.127 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 76.552 95.828 -3.390 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 77.307 96.417 -3.372 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 76.084 96.013 -2.576 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 42.767 50.808 62.289 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 43.271 51.475 62.756 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 42.389 51.273 61.543 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 73.658 52.718 3.825 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 73.247 51.905 3.530 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 73.187 52.948 4.626 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 87.397 86.498 8.198 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 87.125 86.417 9.113 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 88.151 85.914 8.120 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 51.440 88.041 18.071 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 50.729 87.949 18.706 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 51.974 87.257 18.193 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 86.110 1.732 -13.654 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 85.731 2.102 -14.451 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 85.392 1.242 -13.252 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 56.769 21.991 28.823 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 57.246 22.452 28.133 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 55.909 21.812 28.443 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 50.195 16.973 -4.785 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 50.213 17.339 -3.900 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 49.452 16.371 -4.781 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 65.319 78.395 10.536 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 65.073 77.510 10.265 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 66.268 78.427 10.416 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 32.447 2.119 35.594 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 32.872 1.965 36.437 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 31.761 1.452 35.546 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 84.796 37.659 51.989 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 85.226 36.865 52.308 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 84.476 38.092 52.781 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 79.130 0.416 46.486 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 79.882 0.895 46.835 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 79.204 0.512 45.536 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 38.412 79.654 37.051 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 37.726 80.018 36.492 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 39.118 79.425 36.447 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 35.518 39.123 49.400 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 35.864 38.813 48.563 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 36.067 39.875 49.623 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 31.359 21.229 -6.695 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 31.656 21.861 -7.350 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 30.586 21.636 -6.303 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 75.730 83.420 -18.672 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 76.454 82.795 -18.628 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 76.004 84.145 -18.110 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 71.907 56.064 61.416 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 71.665 55.932 62.332 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 71.128 56.452 61.016 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 29.976 57.488 21.568 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 30.429 58.309 21.759 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 30.662 56.821 21.605 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 83.610 71.647 6.575 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 82.839 71.393 7.083 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 84.271 70.992 6.799 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 76.950 40.686 17.825 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 77.048 41.404 18.449 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 76.006 40.622 17.679 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 79.574 23.043 53.965 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 80.044 23.548 53.301 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 78.660 23.306 53.864 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 84.926 64.295 -2.246 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 85.684 64.719 -1.843 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 85.301 63.675 -2.870 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 76.042 7.628 48.505 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 76.574 8.396 48.714 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 76.154 7.508 47.562 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 83.010 91.748 53.425 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 82.969 91.817 52.471 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 83.906 91.469 53.607 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 55.315 46.455 42.384 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 54.407 46.757 42.361 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 55.588 46.448 41.466 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 75.780 53.297 -11.456 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 75.641 52.391 -11.732 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 74.991 53.520 -10.961 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 71.010 80.690 9.143 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 70.243 80.804 9.704 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 71.513 81.496 9.257 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 88.605 52.615 59.132 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 88.858 53.538 59.102 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 88.357 52.405 58.231 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 51.413 79.609 8.236 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 51.547 78.930 7.575 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 51.358 79.131 9.063 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 21.069 38.668 57.604 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 20.310 38.084 57.604 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 21.495 38.509 56.762 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 24.251 49.754 19.857 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 24.977 49.858 20.472 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 24.607 49.211 19.154 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 36.353 69.813 19.693 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 37.045 69.984 20.333 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 36.768 69.964 18.844 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 29.017 77.344 39.073 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 29.802 77.184 38.550 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 29.303 77.950 39.757 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 80.048 71.735 22.307 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 80.896 72.059 22.609 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 80.168 71.589 21.368 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 46.096 45.491 47.182 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 45.178 45.635 47.412 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 46.390 46.331 46.830 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 23.368 81.277 -7.284 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 22.708 80.687 -6.920 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 23.067 82.153 -7.041 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 32.927 69.015 -0.398 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 33.870 68.882 -0.498 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 32.755 68.825 0.524 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 79.879 1.902 -8.822 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 79.327 2.608 -9.158 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 79.670 1.150 -9.375 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 28.462 31.478 28.345 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 29.046 31.496 27.587 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 28.892 30.890 28.966 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 49.358 54.874 -15.189 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 50.060 54.264 -15.417 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 49.786 55.545 -14.657 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 68.215 38.999 25.721 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 67.615 39.629 25.322 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 68.155 38.224 25.163 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 32.539 95.979 -14.309 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 32.537 96.516 -15.102 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 32.976 95.168 -14.570 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 44.745 88.017 33.996 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 45.297 87.358 33.574 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 45.024 88.013 34.911 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 75.757 62.831 42.234 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 75.870 62.639 41.303 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 75.314 62.060 42.586 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 32.932 38.904 -1.271 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 33.149 39.297 -0.426 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 33.779 38.769 -1.697 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 74.061 69.103 20.375 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 73.934 69.212 19.433 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 73.288 68.619 20.666 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 53.284 54.331 -4.322 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 52.926 54.801 -3.569 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 53.380 55.001 -4.999 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 81.790 52.073 62.281 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 82.533 52.645 62.090 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 81.135 52.652 62.672 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 27.476 84.696 39.266 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 26.685 84.499 38.765 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 27.769 83.846 39.595 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 45.430 95.646 -16.232 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 44.593 96.104 -16.308 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 45.232 94.742 -16.478 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 80.085 51.438 22.995 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 80.025 52.147 23.636 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 79.230 51.432 22.564 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 62.254 22.911 6.317 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 61.358 23.160 6.088 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 62.764 23.100 5.529 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 69.669 73.911 29.614 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 69.624 73.538 28.733 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 69.558 73.160 30.198 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 24.677 86.932 -16.090 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 24.205 87.380 -15.388 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 24.667 86.009 -15.834 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 23.736 23.664 -3.641 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 24.051 24.568 -3.653 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 23.112 23.637 -2.916 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 87.544 70.998 9.591 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 88.275 70.832 10.186 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 87.082 71.741 9.981 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 81.327 59.118 63.686 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 80.374 59.102 63.772 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 81.630 58.388 64.226 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 27.616 34.913 31.319 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 27.557 34.496 30.460 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 27.078 34.363 31.889 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 34.895 73.813 18.094 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 35.725 73.349 17.981 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 35.053 74.681 17.723 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 52.122 39.788 -16.894 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 52.491 39.603 -16.030 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 52.882 39.822 -17.476 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 64.465 75.237 -8.486 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 65.224 75.472 -7.952 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 64.117 74.446 -8.073 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 52.111 73.209 55.018 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 51.816 72.321 55.217 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 51.592 73.769 55.595 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 29.625 8.824 -9.436 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 28.798 9.126 -9.812 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 29.465 7.909 -9.205 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 90.604 24.682 8.485 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 90.677 24.254 7.633 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 89.899 25.320 8.374 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 69.108 38.761 29.190 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 68.318 38.297 28.913 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 69.317 39.339 28.456 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 82.425 85.803 50.557 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 81.851 86.560 50.443 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 81.969 85.087 50.115 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 29.328 29.656 11.164 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 29.995 29.274 10.594 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 29.237 30.558 10.857 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 55.327 66.238 16.605 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 55.054 65.818 15.790 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 55.734 65.536 17.112 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 63.001 68.683 27.666 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 63.637 68.204 27.136 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 62.280 68.067 27.792 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 53.829 84.187 14.674 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 54.541 83.667 14.300 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 53.146 84.174 14.004 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 88.636 15.924 -3.137 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 88.701 15.994 -2.185 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 89.539 15.804 -3.431 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 62.052 21.552 -7.325 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 61.745 20.804 -6.811 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 62.840 21.848 -6.869 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 51.846 88.717 59.259 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 52.064 89.041 58.385 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 52.270 89.333 59.856 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 83.829 35.712 -8.478 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 83.814 36.545 -8.005 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 83.536 35.066 -7.835 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 65.798 73.927 13.625 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 66.215 73.070 13.538 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 65.888 74.145 14.552 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 68.160 7.541 12.247 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 67.540 7.780 12.936 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 68.597 6.756 12.580 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 48.589 66.454 2.016 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 47.699 66.106 2.083 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 49.039 66.112 2.788 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 83.668 27.075 33.102 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 83.743 27.993 32.839 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 84.508 26.687 32.859 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 64.134 94.693 21.623 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 63.418 94.586 22.250 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 64.803 94.075 21.916 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 71.833 26.345 42.991 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 72.437 25.905 42.393 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 71.279 25.643 43.333 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 80.604 90.962 18.843 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 80.636 90.096 19.250 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 79.671 91.172 18.799 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 76.227 66.181 51.155 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 76.528 65.613 50.447 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 76.580 65.782 51.950 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 70.642 45.474 -3.846 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 69.831 45.626 -4.331 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 70.356 45.275 -2.955 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 46.808 96.946 50.026 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 46.500 96.254 50.611 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 47.041 96.491 49.217 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 66.007 62.340 27.512 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 65.346 62.455 26.829 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 65.513 62.051 28.279 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 69.757 55.359 34.235 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 69.815 54.918 33.387 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 69.507 56.258 34.022 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 36.643 11.154 45.596 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 36.980 10.655 46.339 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 37.083 12.001 45.656 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 44.436 79.882 6.604 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 44.669 79.969 7.528 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 45.266 79.981 6.137 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 73.947 79.533 60.311 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 74.177 79.446 61.236 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 73.967 78.637 59.974 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 33.038 52.309 15.041 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 33.364 53.189 14.852 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 33.353 51.775 14.312 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 33.616 67.467 14.439 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 34.538 67.558 14.198 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 33.364 66.606 14.105 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 59.932 2.029 19.700 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 59.588 1.480 18.995 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 60.792 1.659 19.894 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 85.228 73.201 45.075 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 85.140 73.667 45.906 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 84.432 72.673 45.011 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 51.139 92.908 -3.265 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 50.771 92.029 -3.351 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 50.396 93.457 -3.016 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 55.307 73.768 29.413 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 55.319 73.206 28.638 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 54.521 73.502 29.890 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 87.023 87.188 11.847 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 87.490 87.645 12.546 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 86.921 86.293 12.170 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 47.509 82.371 51.733 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 47.070 82.539 52.566 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 47.953 81.532 51.861 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 43.194 17.998 66.063 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 43.404 17.065 66.098 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 43.415 18.327 66.934 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 39.695 74.310 -6.386 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 39.875 73.865 -5.557 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 38.970 74.903 -6.187 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 84.903 29.782 46.881 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 85.227 29.055 46.349 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 85.427 30.534 46.606 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 76.824 27.382 56.302 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 76.203 27.028 55.666 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 76.303 27.527 57.091 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 59.740 67.376 53.680 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 60.127 67.113 52.846 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 60.453 67.291 54.313 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 69.350 48.363 -6.972 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 68.659 47.752 -7.229 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 69.353 48.331 -6.015 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 77.577 77.344 -15.293 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 76.829 77.120 -14.740 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 77.311 77.081 -16.174 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 45.623 85.068 65.581 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 46.565 85.239 65.572 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 45.350 85.179 64.671 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 66.566 18.142 19.926 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 66.624 19.063 19.673 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 66.782 17.660 19.128 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 64.172 52.883 -18.324 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 63.845 53.691 -18.720 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 63.400 52.481 -17.927 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 84.163 48.087 52.936 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 83.247 47.812 52.895 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 84.123 49.033 53.078 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 75.492 61.576 -1.939 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 75.069 61.195 -1.170 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 74.778 61.715 -2.561 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 45.367 40.267 -16.645 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 45.010 39.960 -17.478 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 44.787 40.982 -16.384 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 40.384 5.936 13.859 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 40.725 6.830 13.819 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 39.533 6.023 14.287 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 29.340 60.664 -8.010 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 29.375 59.728 -7.811 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 29.497 61.094 -7.170 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 51.572 70.716 55.588 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 50.674 70.445 55.779 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 51.953 69.972 55.120 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 49.508 84.271 42.503 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 49.083 83.697 41.866 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 49.228 83.934 43.354 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 57.562 5.987 18.078 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 56.798 5.415 18.144 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 58.310 5.405 18.219 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 35.691 93.542 29.776 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 35.965 92.742 29.329 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 36.447 94.126 29.710 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 42.866 78.462 64.644 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 42.751 79.370 64.925 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 43.028 77.979 65.454 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 26.772 75.883 34.277 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 27.546 75.357 34.075 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 27.099 76.582 34.844 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 30.859 84.806 7.115 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 31.310 84.631 7.941 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 30.002 85.144 7.377 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 73.313 67.196 -2.533 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 72.405 67.497 -2.562 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 73.550 67.060 -3.450 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 78.071 82.022 3.415 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 77.672 82.892 3.435 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 79.011 82.190 3.350 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 41.518 16.872 -3.203 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 41.072 17.113 -2.391 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 42.449 16.948 -2.996 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 72.039 58.802 10.236 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 71.234 59.041 9.779 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 71.743 58.315 11.005 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 73.095 65.240 0.272 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 72.383 65.259 -0.367 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 73.876 65.472 -0.232 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 73.162 95.408 4.683 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 74.100 95.432 4.491 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 72.939 94.477 4.674 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 50.408 68.422 13.765 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 51.360 68.517 13.803 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 50.075 69.317 13.830 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 52.458 18.760 -6.301 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 52.383 19.714 -6.275 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 51.650 18.445 -5.895 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 31.472 3.730 11.491 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 31.291 4.215 12.296 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 31.003 2.902 11.599 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 67.016 70.854 -11.944 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 66.932 69.902 -11.893 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 67.678 71.002 -12.620 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 67.538 94.337 56.954 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 68.391 94.395 57.384 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 67.542 93.480 56.527 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 49.054 80.589 -5.225 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 49.947 80.249 -5.287 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 48.598 80.201 -5.972 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 21.467 68.773 15.966 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 21.672 69.566 16.461 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 22.118 68.134 16.257 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 64.862 91.275 64.871 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 64.208 90.877 64.296 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 65.611 90.680 64.831 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 32.527 6.783 4.844 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 31.706 6.453 5.210 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 32.256 7.403 4.167 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 81.575 82.868 40.669 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 81.313 81.992 40.385 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 81.211 83.454 40.007 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 35.323 62.296 38.795 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 34.976 61.404 38.778 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 35.736 62.409 37.938 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 74.042 90.081 -15.256 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 74.815 90.616 -15.434 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 73.305 90.621 -15.543 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 24.248 83.583 53.258 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 25.112 83.173 53.234 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 24.014 83.597 54.186 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 33.761 69.652 12.737 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 34.032 68.742 12.614 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 34.260 69.950 13.497 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 74.322 26.777 -10.271 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 74.794 27.463 -9.800 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 73.579 26.564 -9.705 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 28.216 48.451 -15.742 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 27.772 48.221 -14.925 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 27.849 47.852 -16.392 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 44.424 80.121 -3.314 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 43.960 79.394 -2.898 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 45.347 79.869 -3.277 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 38.458 5.180 28.074 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 38.868 5.288 28.932 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 38.075 6.036 27.882 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 55.868 74.980 4.115 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 56.203 74.631 4.941 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 55.195 74.355 3.846 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 24.659 58.631 17.792 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 25.202 57.942 17.410 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 23.829 58.199 17.993 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 62.024 14.163 8.540 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 62.693 14.003 9.205 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 61.978 13.345 8.045 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 38.690 61.790 -6.728 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 37.887 62.235 -6.458 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 38.618 60.914 -6.349 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 30.425 81.523 21.229 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 30.898 80.995 21.872 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 29.560 81.118 21.175 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 29.250 59.073 29.949 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 29.517 58.386 29.338 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 29.903 59.040 30.647 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 75.420 79.674 13.628 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 75.476 79.305 12.747 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 75.022 78.981 14.154 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 82.046 67.750 17.816 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 81.121 67.660 18.045 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 82.143 67.245 17.008 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 51.185 87.681 12.319 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 50.653 88.392 12.676 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 51.215 87.029 13.020 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 70.552 55.429 -2.441 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 70.816 56.124 -1.838 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 71.374 55.023 -2.714 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 65.690 10.534 26.779 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 65.133 9.854 27.158 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 66.101 10.955 27.534 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 87.324 43.687 1.628 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 86.655 43.014 1.498 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 87.070 44.395 1.036 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 40.774 87.767 66.046 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 41.466 87.463 65.458 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 40.251 86.987 66.225 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 58.209 71.902 50.717 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 57.537 72.340 50.195 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 57.782 71.110 51.042 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 72.583 73.438 31.904 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 71.781 73.945 31.780 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 73.257 74.094 32.078 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 64.542 78.446 38.249 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 63.674 78.841 38.167 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 64.768 78.175 37.360 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 89.067 72.861 52.583 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 89.772 73.071 51.971 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 88.898 71.929 52.444 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 83.306 44.532 13.103 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 83.233 44.488 14.056 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 84.246 44.463 12.931 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 70.538 8.908 11.339 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 71.137 8.204 11.588 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 69.707 8.673 11.751 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 22.600 77.563 33.331 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 23.543 77.407 33.273 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 22.203 76.769 32.972 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 76.852 92.815 -10.335 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 76.285 92.048 -10.418 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 76.852 93.209 -11.208 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 21.068 96.586 -11.054 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 21.029 95.742 -11.505 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 21.537 96.401 -10.240 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 46.073 61.285 63.145 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 45.599 60.516 62.831 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 45.518 61.643 63.838 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 88.948 72.975 2.423 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 88.908 73.853 2.804 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 89.477 73.080 1.632 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 73.587 33.145 47.931 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 73.362 32.326 48.372 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 73.489 32.951 46.999 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 50.158 48.352 46.755 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 50.994 48.405 46.291 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 50.346 48.699 47.627 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 64.324 55.884 27.261 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 64.298 55.335 26.477 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 63.445 55.814 27.633 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 34.089 49.435 6.990 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 33.541 48.702 6.712 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 34.014 50.074 6.282 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 57.184 16.129 3.807 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 57.407 16.792 4.460 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 57.737 15.379 4.029 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 67.274 77.351 -2.248 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 66.973 77.291 -1.342 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 66.577 76.941 -2.760 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 33.708 85.997 59.910 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 34.288 86.166 60.652 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 34.212 86.269 59.144 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 29.521 43.945 45.498 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 30.476 43.985 45.459 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 29.234 44.830 45.270 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 64.586 2.342 -19.758 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 65.013 1.486 -19.773 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 65.282 2.953 -19.516 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 59.782 88.156 12.820 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 60.114 87.264 12.712 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 59.291 88.131 13.641 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 31.861 48.087 11.361 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 32.418 48.125 12.138 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 32.452 47.820 10.656 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 63.093 33.257 10.329 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 62.408 33.876 10.075 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 63.292 32.778 9.525 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 28.325 70.886 59.784 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 29.249 70.655 59.685 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 28.186 71.595 59.157 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 23.236 75.961 0.081 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 23.810 75.536 -0.556 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 23.145 76.858 -0.239 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 72.073 71.779 -17.296 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 72.397 71.987 -18.173 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 71.761 70.877 -17.362 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 73.126 92.791 12.364 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 73.356 93.549 11.827 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 73.510 92.979 13.221 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 37.860 15.177 51.465 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 38.052 14.925 52.368 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 38.603 15.722 51.205 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 37.833 55.194 3.393 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 38.640 54.844 3.016 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 38.125 55.882 3.990 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 70.380 34.178 -2.532 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 69.735 34.652 -2.007 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 69.887 33.455 -2.921 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 74.704 34.971 57.586 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 74.478 34.043 57.517 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 74.971 35.218 56.700 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 30.103 56.577 41.298 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 30.565 56.712 40.470 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 29.440 55.917 41.098 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 80.855 24.330 51.804 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 81.211 24.848 51.081 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 81.057 23.424 51.572 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 43.583 80.445 44.854 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 43.834 81.068 44.173 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 43.017 80.946 45.442 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 66.459 88.449 54.530 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 66.884 87.609 54.352 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 65.718 88.476 53.925 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 28.691 22.789 4.298 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 28.128 22.079 3.989 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 28.522 23.510 3.691 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 81.565 81.839 22.338 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 81.076 81.088 22.673 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 82.407 81.475 22.063 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 87.130 3.621 47.775 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 86.480 4.264 48.059 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 86.649 2.794 47.735 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 36.906 85.123 -1.296 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 36.059 84.884 -1.673 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 36.814 86.048 -1.067 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 81.945 71.766 47.623 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 82.654 71.541 48.226 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 81.793 70.964 47.122 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 67.904 90.374 -0.047 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 68.763 90.710 -0.303 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 67.335 91.144 -0.050 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 68.003 1.446 46.979 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 67.693 1.660 47.859 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 68.739 0.850 47.122 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 66.052 72.061 63.913 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 65.994 71.644 64.773 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 65.151 72.309 63.706 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 47.824 0.629 35.848 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 48.741 0.875 35.969 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 47.380 0.963 36.627 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 76.767 43.302 7.437 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 77.606 43.741 7.294 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 76.145 44.014 7.582 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 44.617 89.577 46.708 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 44.882 89.757 45.806 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 43.678 89.403 46.652 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 53.526 81.326 -8.174 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 52.815 81.590 -8.758 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 54.271 81.177 -8.755 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 54.070 38.653 -6.473 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 54.220 39.510 -6.873 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 54.744 38.583 -5.797 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 73.737 61.418 -4.209 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 74.306 61.301 -4.970 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 73.330 60.561 -4.080 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 51.673 30.614 38.833 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 52.418 30.465 38.251 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 50.974 30.069 38.471 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 65.659 64.937 67.132 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 65.383 64.864 66.218 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 65.107 64.311 67.600 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 50.452 76.408 42.711 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 50.667 75.837 41.973 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 49.630 76.829 42.456 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 27.607 84.268 -12.092 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 27.644 85.220 -12.186 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 28.039 83.933 -12.878 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 63.394 36.720 39.529 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 62.712 37.120 38.990 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 64.200 36.843 39.027 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 58.845 95.329 20.960 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 59.257 94.784 20.290 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 58.339 94.714 21.491 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 36.273 67.407 -15.121 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 36.833 67.936 -14.553 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 35.668 66.969 -14.522 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 29.563 58.368 44.728 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 29.052 58.171 45.514 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 29.569 59.324 44.681 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 73.133 8.020 -12.250 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 73.529 7.250 -11.841 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 73.192 8.703 -11.582 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 20.236 64.891 -17.841 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 20.307 65.114 -16.913 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 21.082 64.501 -18.060 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 34.507 29.024 4.610 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 34.514 29.486 3.772 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 33.586 29.008 4.868 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 52.149 76.297 -7.341 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 51.840 76.127 -8.231 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 52.100 77.249 -7.248 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 74.373 9.701 55.719 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 73.624 9.176 56.002 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 74.560 9.394 54.832 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 22.540 47.700 9.685 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 22.383 48.259 10.446 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 22.176 46.850 9.933 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 89.100 5.468 -10.349 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 89.040 5.977 -11.157 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 88.525 5.925 -9.735 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 83.960 29.343 31.606 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 83.152 29.464 31.107 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 84.586 29.941 31.198 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 39.156 77.231 3.994 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 38.849 76.639 4.680 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 40.110 77.212 4.069 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 48.341 51.538 36.153 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 49.096 52.012 35.803 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 48.068 50.961 35.439 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 47.852 35.337 15.270 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 48.028 34.730 15.989 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 47.352 34.821 14.638 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 52.888 33.319 -4.545 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 53.455 33.732 -5.196 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 52.637 34.032 -3.958 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 71.713 75.423 49.701 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 71.700 76.167 49.099 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 71.841 74.660 49.138 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 29.079 6.336 60.588 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 28.722 7.224 60.586 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 29.200 6.123 59.663 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 65.199 76.004 39.461 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 65.244 75.421 38.704 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 64.831 76.818 39.117 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 73.813 19.552 -18.310 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 73.913 20.073 -19.106 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 73.846 18.644 -18.611 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 49.060 34.394 -3.869 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 49.198 35.032 -3.169 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 49.037 34.918 -4.670 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 38.988 45.758 31.721 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 39.722 45.538 31.148 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 39.398 46.082 32.523 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 82.210 64.297 -17.166 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 82.317 64.053 -16.246 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 82.817 65.025 -17.294 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 41.888 14.759 65.840 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 41.982 15.017 66.757 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 41.357 15.452 65.448 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 70.926 29.190 -3.120 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 70.110 29.048 -3.600 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 70.830 28.667 -2.324 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 84.673 84.419 63.845 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 84.594 84.415 64.799 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 84.387 83.545 63.578 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 69.976 51.104 -6.020 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 69.979 50.369 -6.633 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 69.067 51.168 -5.727 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 79.671 80.907 11.332 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 80.383 80.277 11.215 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 79.884 81.360 12.148 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 60.246 91.462 41.829 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 60.837 91.350 41.084 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 60.727 92.025 42.435 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 32.833 89.539 22.782 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 33.580 89.123 22.352 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 33.028 89.475 23.717 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 67.211 55.858 -14.263 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 67.115 56.810 -14.286 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 66.665 55.544 -14.983 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 62.499 44.913 47.492 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 62.552 44.746 46.551 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 62.314 45.850 47.559 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 89.069 -0.069 -7.506 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 88.299 -0.630 -7.596 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 88.719 0.821 -7.511 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 69.396 83.206 -3.159 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 68.956 83.977 -3.518 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 68.906 82.464 -3.512 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 89.703 56.796 64.604 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 89.490 57.706 64.399 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 89.196 56.282 63.975 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 83.188 48.996 19.851 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 82.721 48.899 20.682 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 83.029 49.904 19.592 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 76.087 43.604 61.457 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 76.011 44.450 61.017 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 75.997 43.808 62.388 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 26.504 91.620 11.632 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 26.220 92.031 12.449 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 27.376 91.277 11.827 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 70.092 58.865 19.766 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 69.786 58.231 19.117 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 70.217 58.350 20.563 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 66.712 55.083 28.311 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 66.854 55.301 29.232 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 65.890 55.517 28.085 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 76.745 45.120 29.870 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 76.149 44.516 29.427 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 77.604 44.929 29.494 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 82.541 75.075 12.101 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 83.023 75.407 12.859 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 83.097 75.289 11.351 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 60.533 92.577 23.974 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 60.067 91.868 23.529 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 61.416 92.234 24.111 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 90.854 72.213 47.679 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 90.756 71.451 48.251 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 90.024 72.683 47.762 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 35.491 73.580 -5.317 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 35.610 74.266 -5.974 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 34.748 73.876 -4.792 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 42.191 79.466 60.545 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 41.563 79.524 59.824 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 41.669 79.626 61.331 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 81.357 86.160 20.509 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 81.083 86.203 21.425 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 81.297 85.231 20.285 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 74.254 16.195 5.023 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 73.817 16.898 5.504 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 75.008 16.618 4.612 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 37.624 37.983 47.381 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 38.522 38.171 47.653 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 37.701 37.225 46.802 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 71.781 95.700 55.111 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 72.182 94.833 55.048 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 71.984 96.120 54.276 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 79.278 95.412 11.903 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 80.117 94.968 12.023 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 78.908 95.469 12.784 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 26.979 36.154 12.880 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 27.624 35.730 12.314 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 26.497 36.742 12.297 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 50.603 67.308 53.099 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 50.761 66.367 53.028 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 49.803 67.456 52.594 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 79.129 88.236 39.150 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 78.350 88.708 38.856 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 78.788 87.443 39.562 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 48.699 10.851 15.718 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 48.474 11.755 15.497 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 47.866 10.449 15.962 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 34.694 73.338 32.799 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 35.051 73.266 33.684 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 35.464 73.348 32.230 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 37.144 69.879 60.453 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 37.563 70.405 61.135 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 36.217 70.107 60.509 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 26.003 20.979 -6.785 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 25.199 21.257 -6.347 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 26.403 20.355 -6.178 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 81.664 25.031 4.715 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 82.595 24.974 4.499 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 81.595 25.802 5.279 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 74.370 81.707 10.667 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 75.176 81.583 11.168 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 74.230 80.869 10.226 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 85.706 24.910 32.592 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 85.808 25.375 31.762 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 86.471 25.167 33.107 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 70.937 34.274 17.467 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 70.458 33.745 18.104 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 70.285 34.884 17.122 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 22.653 86.198 7.992 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 22.071 85.726 7.396 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 22.147 86.964 8.264 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 62.855 22.557 63.941 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 63.449 22.243 64.622 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 63.158 23.444 63.748 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 77.346 60.204 4.445 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 76.752 60.173 5.195 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 77.573 61.130 4.357 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 65.670 78.867 4.094 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 65.486 78.614 4.999 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 65.539 78.065 3.589 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 58.551 72.754 -15.577 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 58.115 72.178 -14.949 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 58.596 72.239 -16.383 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 65.789 80.730 28.016 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 66.260 81.274 27.385 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 66.264 79.899 28.018 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 22.476 1.227 -7.833 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 22.674 0.323 -8.077 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 23.120 1.751 -8.311 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 71.404 7.987 2.124 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 71.162 7.275 2.717 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 72.357 8.042 2.191 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 71.313 38.118 -12.059 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 71.900 38.322 -12.787 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 71.898 37.889 -11.336 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 62.718 95.724 8.178 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 62.885 95.961 7.265 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 63.518 95.280 8.461 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 53.591 25.410 -12.134 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 53.629 26.356 -11.997 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 53.231 25.063 -11.318 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 66.381 38.231 37.148 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 66.997 38.329 36.421 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 65.541 38.518 36.791 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 22.488 25.488 27.769 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 22.699 25.946 26.956 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 21.726 24.951 27.550 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 27.255 17.735 -9.451 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 26.359 18.062 -9.372 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 27.722 18.136 -8.718 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 30.805 35.347 44.904 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 31.718 35.059 44.914 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 30.696 35.768 44.051 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 83.622 4.242 2.871 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 83.325 3.397 3.209 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 82.830 4.653 2.522 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 81.102 66.807 3.241 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 81.193 66.299 2.435 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 81.942 67.256 3.338 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 55.519 95.836 -5.867 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 55.098 96.495 -5.315 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 54.802 95.449 -6.369 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 38.728 49.145 51.370 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 39.627 49.228 51.690 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 38.252 49.852 51.806 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 85.093 70.662 32.329 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 85.100 71.618 32.376 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 85.931 70.435 31.926 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 64.920 12.323 29.045 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 64.978 12.849 29.843 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 64.294 12.792 28.494 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 66.122 77.787 29.511 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 66.589 77.967 28.695 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 66.806 77.519 30.125 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 88.193 84.165 45.544 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 88.722 84.572 44.858 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 87.311 84.123 45.174 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 81.697 55.136 22.363 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 81.690 55.320 21.423 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 81.370 54.239 22.434 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 52.152 67.539 41.191 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 51.979 66.609 41.047 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 53.107 67.608 41.193 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 65.985 37.307 44.603 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 65.936 38.062 45.189 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 66.894 37.013 44.667 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 59.723 13.789 -19.306 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 59.131 14.405 -18.876 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 59.163 13.295 -19.905 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 71.373 74.964 63.023 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 70.449 74.915 63.268 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 71.473 74.309 62.331 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 29.693 50.690 -8.347 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 29.406 51.594 -8.215 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 30.424 50.758 -8.961 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 30.831 12.079 63.601 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 30.364 12.247 64.419 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 30.277 11.455 63.132 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 76.522 11.512 2.452 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 76.630 10.614 2.767 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 75.682 11.505 1.994 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 20.871 94.445 -4.228 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 21.189 93.544 -4.283 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 20.697 94.581 -3.296 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 77.193 7.447 55.055 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 77.935 7.335 54.460 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 77.099 6.597 55.483 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 85.693 75.863 35.937 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 84.774 75.611 36.028 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 85.748 76.264 35.069 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 27.975 45.343 10.031 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 28.418 45.228 10.872 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 27.741 46.271 10.008 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 90.159 92.195 50.021 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 90.865 91.878 49.458 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 90.577 92.841 50.591 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 41.598 82.471 14.238 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 41.131 83.111 13.701 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 41.038 81.694 14.227 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 32.362 32.716 52.853 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 32.425 33.377 52.164 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 31.697 32.104 52.538 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 43.153 94.509 58.749 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 42.898 95.221 59.335 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 43.906 94.852 58.268 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 69.792 75.203 11.497 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 69.925 74.260 11.592 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 69.453 75.308 10.608 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 69.488 86.876 0.637 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 69.209 86.725 1.540 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 70.328 87.327 0.718 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 64.673 59.285 -16.608 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 65.180 60.042 -16.316 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 64.776 58.642 -15.906 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 53.454 68.437 1.620 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 52.900 67.747 1.982 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 53.967 68.750 2.365 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 55.096 16.308 8.426 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 54.668 15.650 8.974 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 54.854 16.068 7.531 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 44.785 39.899 14.518 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 44.770 40.129 15.448 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 45.033 38.975 14.504 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 69.503 94.430 -18.948 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 69.079 94.479 -18.091 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 69.000 95.030 -19.499 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 74.342 93.524 23.646 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 73.810 92.739 23.779 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 73.748 94.149 23.232 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 34.450 75.615 61.505 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 34.881 74.976 60.937 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 35.136 75.899 62.109 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 81.076 90.590 43.149 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 81.977 90.910 43.100 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 80.918 90.186 42.296 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 41.633 69.977 30.802 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 42.514 70.093 30.447 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 41.595 70.573 31.550 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 86.252 54.974 44.611 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 86.931 54.939 43.938 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 85.956 55.885 44.607 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 40.303 93.927 58.261 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 40.051 94.620 57.650 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 41.247 94.041 58.377 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 62.549 86.477 -0.012 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 63.055 85.702 -0.256 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 62.990 87.201 -0.456 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 87.292 93.349 33.511 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 87.044 92.447 33.715 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 88.152 93.460 33.916 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 24.394 36.137 5.392 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 25.332 36.047 5.227 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 24.339 36.684 6.176 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 84.344 63.381 36.583 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 83.882 64.050 37.089 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 84.061 63.525 35.680 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 86.247 89.635 43.966 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 86.691 89.767 44.805 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 85.851 88.767 44.038 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 59.514 79.789 15.724 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 59.008 80.393 16.268 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 59.242 78.918 16.014 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 28.276 29.070 7.066 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 27.530 28.585 7.420 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 27.883 29.738 6.505 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 45.712 89.257 50.113 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 46.050 89.207 51.007 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 45.257 88.425 49.981 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 75.141 76.799 36.724 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 75.488 77.623 36.381 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 74.733 77.038 37.556 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 25.259 65.616 59.164 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 24.539 65.727 58.543 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 25.045 64.812 59.638 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 71.936 88.516 -3.639 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 71.224 87.989 -4.001 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 71.521 89.343 -3.393 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 49.259 89.578 46.927 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 49.955 89.167 46.415 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 48.684 89.977 46.274 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 83.094 49.734 23.995 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 82.418 50.016 23.379 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 83.353 48.866 23.687 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 86.687 5.119 55.980 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 86.949 5.240 56.893 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 87.259 5.706 55.486 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 30.609 52.752 41.680 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 30.202 53.393 41.099 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 30.327 53.010 42.558 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 69.866 55.747 7.413 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 69.656 56.611 7.057 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 69.409 55.717 8.254 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 66.377 55.577 31.048 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 66.072 54.854 31.596 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 65.680 56.231 31.103 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 53.377 75.880 -2.260 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 53.578 75.161 -2.858 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 53.222 75.454 -1.417 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 37.179 5.529 20.962 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 37.381 5.112 21.800 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 37.537 4.932 20.305 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 47.789 52.694 -9.652 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 48.629 53.146 -9.740 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 47.322 53.185 -8.976 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 58.337 88.456 -1.060 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 57.816 88.070 -1.764 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 59.192 88.031 -1.133 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 49.616 90.070 37.263 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 49.202 90.929 37.179 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 49.096 89.618 37.928 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 27.822 11.517 41.769 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 27.701 10.671 42.200 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 28.303 12.045 42.406 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 22.270 18.461 -13.858 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 21.547 19.038 -14.104 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 22.341 17.842 -14.584 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 26.943 25.337 29.042 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 26.743 26.188 29.431 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 27.504 25.540 28.293 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 29.626 50.521 60.096 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 30.183 50.816 59.376 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 30.235 50.342 60.813 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 42.865 15.068 6.365 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 42.796 15.341 7.280 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 42.258 15.641 5.897 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 34.059 45.148 51.307 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 34.542 45.292 50.493 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 33.921 46.026 51.663 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 52.037 60.316 -7.145 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 51.990 60.073 -6.220 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 52.445 61.182 -7.145 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 56.176 78.635 17.551 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 55.347 78.214 17.781 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 56.128 79.499 17.961 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 76.198 79.043 35.655 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 76.982 79.592 35.640 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 75.485 79.648 35.857 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 48.149 10.766 64.984 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 48.992 10.948 64.569 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 48.367 10.220 65.740 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 90.211 0.327 33.544 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 89.810 0.996 32.989 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 90.009 -0.500 33.107 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 23.182 5.440 -10.535 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 23.834 4.911 -10.995 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 23.203 5.117 -9.634 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 34.283 78.120 -13.541 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 34.256 79.073 -13.629 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 33.550 77.912 -12.962 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 61.395 43.211 38.630 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 61.618 43.125 37.703 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 61.060 44.103 38.715 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 32.235 54.679 2.676 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 32.439 55.376 3.299 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 33.088 54.374 2.370 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 80.983 26.476 33.401 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 80.597 27.092 32.778 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 81.906 26.728 33.446 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 55.895 8.009 -2.350 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 55.333 7.306 -2.675 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 56.689 7.564 -2.052 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 69.027 73.107 47.499 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 69.342 72.222 47.681 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 69.046 73.178 46.545 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 44.088 79.195 -5.867 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 44.604 78.424 -5.631 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 44.105 79.745 -5.084 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 86.897 88.441 22.166 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 87.528 87.909 22.651 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 86.500 87.833 21.543 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 51.141 74.953 40.532 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 51.375 74.058 40.286 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 51.251 75.460 39.727 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 42.910 73.547 -17.298 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 42.498 72.763 -16.934 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 43.662 73.216 -17.790 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 32.654 31.384 30.892 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 33.053 30.946 30.140 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 32.299 32.198 30.535 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 31.596 88.912 34.642 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 30.767 89.111 34.209 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 31.473 89.206 35.545 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 67.657 30.877 11.991 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 67.555 31.692 11.499 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 67.560 30.187 11.335 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 43.511 88.557 -6.117 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 43.909 87.689 -6.057 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 42.568 88.391 -6.101 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 49.794 74.597 31.307 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 49.400 73.814 31.691 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 50.062 74.325 30.429 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 37.871 91.590 -7.981 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 36.935 91.562 -7.782 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 38.168 90.688 -7.863 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 32.372 10.669 29.421 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 33.023 11.086 28.856 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 32.216 9.815 29.017 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 86.675 44.182 53.606 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 86.110 44.933 53.788 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 86.941 43.866 54.469 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 41.486 94.671 62.919 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 41.249 93.962 62.320 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 41.452 94.272 63.788 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 39.382 73.223 32.721 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 39.636 72.951 33.603 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 40.150 73.038 32.181 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 45.495 8.007 38.756 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 45.055 7.287 38.303 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 45.875 8.535 38.054 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 39.190 88.705 26.268 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 40.041 88.340 26.027 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 39.101 89.486 25.721 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 79.419 4.703 66.557 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 80.066 4.089 66.905 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 78.950 4.204 65.889 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 87.803 4.839 0.868 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 87.981 5.331 1.670 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 88.668 4.605 0.532 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 22.187 42.749 20.147 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 22.071 43.678 19.948 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 21.352 42.480 20.532 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 20.448 94.777 7.631 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 21.234 94.656 7.098 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 20.625 95.566 8.144 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 66.934 18.398 -8.154 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 67.436 17.924 -8.817 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 67.043 17.881 -7.356 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 73.299 20.585 43.815 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 73.865 19.821 43.928 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 72.701 20.337 43.109 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 66.952 1.853 51.911 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 66.555 1.700 52.769 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 67.549 2.588 52.052 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 57.436 65.721 13.474 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 57.985 65.743 14.259 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 57.197 64.800 13.374 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 36.022 76.118 6.368 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 36.253 76.967 6.746 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 35.880 75.550 7.125 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 71.142 64.016 56.609 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 71.198 64.012 55.653 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 71.051 64.940 56.840 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 79.963 40.605 66.873 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 79.672 40.429 65.979 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 79.388 41.308 67.178 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 25.507 55.593 -11.265 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 25.666 54.946 -10.578 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 25.155 56.353 -10.801 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 32.688 70.578 -12.655 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 33.264 70.239 -13.340 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 33.129 71.367 -12.339 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 84.758 73.434 32.328 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 84.733 74.239 32.844 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 83.986 73.487 31.763 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 82.870 53.420 -14.537 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 83.546 53.757 -13.949 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 83.197 52.562 -14.810 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 63.372 61.390 32.771 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 63.788 61.565 31.926 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 62.434 61.449 32.593 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 72.620 75.500 15.612 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 71.943 74.947 16.002 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 72.172 75.965 14.906 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 31.378 53.702 46.402 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 31.706 52.804 46.360 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 32.036 54.174 46.911 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 41.276 29.994 4.455 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 40.528 30.136 5.036 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 42.039 30.044 5.030 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 67.724 47.514 14.821 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 67.176 46.736 14.930 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 68.022 47.472 13.912 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 83.462 76.887 26.053 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 83.541 77.327 26.899 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 83.067 76.039 26.260 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 64.829 63.850 58.065 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 64.109 63.251 58.261 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 65.434 63.747 58.799 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 45.973 62.106 -6.278 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 46.747 61.642 -6.599 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 45.819 61.743 -5.406 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 88.718 39.643 31.031 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 87.845 39.270 31.155 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 88.612 40.271 30.317 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 83.607 4.289 8.834 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 82.897 3.663 8.693 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 83.939 4.083 9.707 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 81.816 68.938 -5.260 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 81.017 68.561 -4.892 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 81.569 69.209 -6.144 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 27.948 44.282 1.008 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 27.249 43.704 1.313 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 27.607 45.165 1.149 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 44.746 86.065 -10.152 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 44.870 86.522 -10.983 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 44.091 85.393 -10.342 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 77.685 43.392 13.966 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 77.695 44.248 14.395 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 76.849 43.004 14.224 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 85.848 75.678 -6.825 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 85.657 74.820 -7.205 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 86.521 76.049 -7.396 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 78.345 6.683 50.498 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 77.908 6.411 49.691 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 77.850 7.448 50.792 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 49.406 85.334 7.986 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 49.689 85.850 8.741 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 50.220 85.036 7.581 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 59.039 73.540 53.052 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 59.038 74.319 52.495 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 59.175 72.812 52.447 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 35.240 74.162 -1.227 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 35.215 75.037 -0.839 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 35.971 74.194 -1.844 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 65.696 8.005 14.566 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 65.320 8.364 15.369 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 65.381 8.585 13.873 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 74.507 63.353 -14.730 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 75.238 62.762 -14.911 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 74.920 64.200 -14.563 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 82.501 2.811 -9.621 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 81.702 2.409 -9.281 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 83.185 2.161 -9.459 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 61.445 51.281 36.105 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 61.555 51.939 35.419 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 60.506 51.096 36.112 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 89.864 93.582 0.254 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 90.084 93.096 1.049 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 88.911 93.528 0.196 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 44.591 28.996 -0.353 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 43.668 29.163 -0.545 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 45.010 29.853 -0.425 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 54.756 5.563 -3.756 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 53.849 5.303 -3.592 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 54.743 5.933 -4.639 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 27.353 90.843 -16.593 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 27.411 90.030 -16.091 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 28.258 91.145 -16.667 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 53.296 68.985 22.081 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 54.104 68.473 22.052 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 52.604 68.334 22.202 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 83.379 77.397 58.403 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 83.055 77.959 57.700 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 82.683 77.407 59.060 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 63.911 55.526 34.297 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 64.787 55.208 34.079 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 63.339 55.121 33.645 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 68.145 60.558 43.381 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 67.195 60.619 43.282 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 68.422 61.449 43.595 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 53.302 92.043 -11.300 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 53.144 92.978 -11.167 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 53.550 91.717 -10.434 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 22.370 6.664 66.437 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 23.030 6.011 66.207 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 21.683 6.166 66.881 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 49.856 5.517 -16.723 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 49.579 6.213 -16.128 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 50.365 4.920 -16.174 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 37.969 58.872 36.222 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 37.782 58.719 37.148 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 38.846 58.514 36.091 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 60.780 41.753 50.693 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 60.722 41.472 51.606 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 61.436 42.450 50.698 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 42.318 10.429 50.141 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 41.970 11.249 50.491 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 42.489 9.892 50.915 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 56.083 78.532 -13.001 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 55.761 77.634 -13.077 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 56.035 78.880 -13.891 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 54.588 11.336 52.009 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 53.651 11.434 52.177 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 54.873 12.204 51.725 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 44.718 69.049 52.007 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 44.510 69.296 51.106 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 45.667 68.919 52.007 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 89.060 8.964 -7.442 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 88.989 9.902 -7.270 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 89.784 8.887 -8.063 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 39.099 38.879 25.349 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 39.647 38.096 25.400 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 39.661 39.587 25.663 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 62.036 9.531 24.512 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 62.320 9.397 25.416 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 61.945 10.480 24.427 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 30.552 85.101 62.216 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 30.723 84.399 61.589 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 30.303 84.647 63.022 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 27.783 85.027 9.202 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 27.592 84.113 8.990 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 27.690 85.490 8.369 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 66.002 10.279 22.021 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 66.280 10.581 22.885 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 66.812 10.229 21.512 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 43.222 60.050 38.642 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 42.564 59.459 38.277 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 43.624 59.552 39.353 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 90.154 11.103 56.581 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 89.728 10.359 56.155 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 90.056 10.931 57.518 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 26.024 39.531 14.162 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 26.753 39.236 14.708 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 26.241 39.222 13.283 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 31.260 79.502 24.003 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 30.591 78.819 24.039 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 31.854 79.296 24.725 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 30.890 57.461 16.322 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 31.699 56.974 16.167 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 31.165 58.376 16.364 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 75.448 48.763 44.028 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 75.128 48.396 43.204 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 74.683 49.189 44.414 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 83.001 10.844 42.117 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 83.890 11.042 42.412 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 82.513 10.679 42.924 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 35.686 10.592 53.646 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 35.786 10.121 52.819 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 36.189 10.078 54.278 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 81.254 58.365 -4.741 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 81.899 59.019 -5.011 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 80.972 57.954 -5.559 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 44.625 64.650 0.431 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 45.375 64.226 0.012 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 44.117 63.928 0.801 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 89.365 44.892 37.717 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 90.095 45.466 37.485 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 88.611 45.265 37.258 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 60.298 64.210 -9.292 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 60.080 63.304 -9.072 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 60.214 64.685 -8.466 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 66.738 62.172 46.299 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 65.849 62.070 46.639 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 67.123 61.298 46.367 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 77.049 91.829 2.464 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 76.473 92.577 2.625 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 77.814 91.992 3.016 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 80.352 43.583 27.530 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 79.462 43.234 27.484 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 80.254 44.432 27.961 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 83.110 78.551 32.009 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 83.610 79.217 32.480 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 82.329 79.011 31.699 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 62.538 93.251 -19.303 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 63.408 93.650 -19.326 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 62.050 93.777 -18.669 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 59.618 18.792 43.196 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 59.192 18.247 42.534 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 60.315 18.239 43.548 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 89.334 59.610 29.210 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 90.053 59.111 29.598 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 89.766 60.267 28.664 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 54.618 84.768 -8.854 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 55.546 84.534 -8.824 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 54.193 84.139 -8.271 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 53.765 14.575 9.968 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 53.502 15.016 10.776 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 52.962 14.164 9.647 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 69.629 57.612 46.866 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 69.556 57.111 46.054 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 69.165 57.083 47.516 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 22.395 13.997 -1.710 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 22.867 13.347 -1.190 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 22.947 14.779 -1.676 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 59.777 82.816 -9.306 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 59.990 81.976 -9.713 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 60.477 82.957 -8.668 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 21.487 61.667 16.729 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 22.229 61.858 16.155 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 21.844 61.078 17.394 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 43.291 9.150 -14.593 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 43.240 9.937 -14.050 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 43.168 9.467 -15.488 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 57.967 31.368 -15.406 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 57.924 31.080 -14.495 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 57.177 31.895 -15.529 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 23.514 31.659 42.406 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 24.014 32.270 41.864 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 22.858 31.293 41.814 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 84.186 33.062 30.996 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 84.866 33.709 31.188 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 83.838 32.819 31.854 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 65.343 75.686 57.970 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 64.758 75.610 58.723 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 65.303 76.611 57.727 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 53.917 59.994 -1.451 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 54.095 59.921 -0.513 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 52.984 59.797 -1.534 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 49.676 86.383 30.002 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 48.745 86.587 30.093 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 49.825 85.664 30.615 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 56.209 87.405 58.265 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 55.787 87.610 57.431 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 56.432 88.258 58.637 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 69.275 8.362 9.019 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 69.922 8.663 9.658 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 68.450 8.343 9.504 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 64.328 19.728 54.632 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 63.505 20.201 54.509 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 64.078 18.930 55.098 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 25.965 29.927 -1.878 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 26.355 30.498 -1.217 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 25.260 29.472 -1.416 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 33.361 27.031 12.574 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 32.942 27.830 12.894 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 33.061 26.949 11.669 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 65.708 7.987 -16.524 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 66.116 8.623 -17.111 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 65.743 8.401 -15.661 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 78.440 56.914 -13.514 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 78.429 56.058 -13.086 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 78.987 57.459 -12.948 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 39.469 53.080 59.063 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 39.756 53.672 58.368 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 38.538 52.940 58.890 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 56.032 62.772 49.466 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 55.386 63.322 49.022 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 55.534 62.013 49.769 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 39.496 75.980 1.419 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 39.745 75.127 1.775 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 39.253 76.498 2.186 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 46.986 73.482 24.978 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 47.628 73.940 24.435 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 47.280 72.572 24.982 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 50.714 28.786 20.366 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 50.212 28.590 21.157 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 50.353 29.615 20.053 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 70.643 94.688 60.359 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 71.073 94.413 61.169 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 71.301 95.214 59.905 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 40.087 11.008 -17.247 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 39.182 11.321 -17.228 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 40.491 11.485 -17.971 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 28.202 68.130 46.531 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 27.853 67.250 46.671 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 28.855 68.022 45.840 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 34.774 11.239 17.858 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 35.473 11.774 17.482 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 34.375 11.799 18.524 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 29.496 95.265 15.474 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 30.187 94.612 15.581 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 29.848 95.885 14.835 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 52.052 58.021 58.453 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 52.996 57.968 58.304 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 51.968 58.359 59.345 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 53.369 88.507 26.386 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 53.181 87.570 26.319 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 53.734 88.616 27.264 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 61.388 52.433 31.061 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 60.549 52.893 31.064 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 61.394 51.948 30.236 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 62.070 81.429 22.227 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 62.813 80.874 21.990 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 61.306 80.860 22.132 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 26.210 22.620 -18.494 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 26.626 23.407 -18.143 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 26.375 21.947 -17.833 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 26.324 4.351 36.264 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 26.458 3.413 36.127 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 26.999 4.771 35.732 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 51.101 75.218 33.437 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 51.305 74.345 33.773 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 50.596 75.056 32.641 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 38.449 94.985 16.881 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 38.879 94.207 16.526 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 38.043 94.685 17.694 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 83.246 56.452 63.007 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 83.867 57.078 63.380 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 83.715 55.617 63.013 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 88.485 79.463 10.786 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 89.408 79.664 10.940 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 88.167 79.136 11.627 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 83.887 25.646 11.533 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 83.338 25.538 12.310 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 83.446 26.323 11.019 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 61.092 2.078 13.941 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 60.660 2.560 13.236 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 60.383 1.609 14.381 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 83.546 80.415 40.602 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 83.557 81.330 40.883 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 83.785 79.920 41.386 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 45.622 26.110 27.570 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 46.090 26.544 26.856 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 44.713 26.071 27.273 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 60.605 69.309 39.308 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 60.106 69.549 38.527 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 60.760 68.369 39.215 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 33.659 35.975 19.398 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 34.142 36.791 19.271 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 32.839 36.243 19.812 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 78.493 59.418 63.102 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 78.183 59.112 62.250 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 77.729 59.349 63.675 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 28.888 5.335 7.837 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 29.703 5.062 8.256 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 28.805 4.761 7.075 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 60.999 85.296 37.262 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 61.341 85.366 36.371 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 60.675 84.397 37.325 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 32.621 92.340 46.832 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 33.023 91.682 47.399 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 32.869 92.076 45.945 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 89.253 86.576 47.294 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 90.035 86.024 47.292 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 88.562 86.015 46.942 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 73.577 68.121 30.092 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 73.037 67.339 30.204 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 73.079 68.672 29.489 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 67.448 82.080 37.040 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 66.750 81.775 37.620 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 67.035 82.142 36.179 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 79.046 29.970 24.578 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 79.953 29.771 24.808 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 78.910 30.865 24.890 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 55.467 88.950 -17.712 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 54.880 88.289 -18.079 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 54.976 89.769 -17.777 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 60.962 84.851 -16.704 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 60.714 85.708 -17.052 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 60.197 84.298 -16.862 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 69.979 33.256 49.105 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 69.235 33.011 49.655 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 70.669 33.490 49.725 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 56.979 68.934 60.971 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 57.862 69.277 61.112 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 56.418 69.484 61.517 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 46.101 39.288 -5.761 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 46.788 39.946 -5.661 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 46.212 38.708 -5.007 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 81.149 40.449 60.166 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 81.057 41.236 59.628 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 80.358 39.941 59.985 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 36.456 89.138 9.169 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 36.383 89.327 10.104 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 36.497 89.999 8.753 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 31.846 90.179 -16.393 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 32.482 90.318 -15.692 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 32.313 89.652 -17.041 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 73.262 85.247 30.543 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 73.479 85.154 31.471 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 72.537 84.637 30.404 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 57.390 4.488 42.547 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 57.777 4.329 41.686 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 57.713 3.771 43.092 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 84.759 90.946 -6.750 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 84.563 90.041 -6.993 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 85.691 90.940 -6.532 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 20.775 89.982 41.901 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 20.969 89.949 40.964 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 19.862 89.704 41.967 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 29.116 71.637 50.983 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 29.634 72.414 51.193 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 29.461 71.338 50.142 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 62.515 17.364 66.786 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 62.259 17.361 67.709 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 62.071 16.602 66.412 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 51.504 73.484 52.419 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 51.709 73.418 53.351 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 51.283 72.590 52.158 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 29.376 90.257 33.871 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 28.522 90.039 34.244 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 29.222 91.057 33.369 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 54.042 54.954 57.920 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 53.106 54.757 57.873 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 54.081 55.902 58.046 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 22.558 36.825 -3.267 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 21.832 36.944 -2.655 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 23.311 36.628 -2.710 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 42.642 77.967 12.050 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 43.501 77.693 11.730 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 42.172 77.148 12.208 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 47.492 0.213 11.660 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 47.726 1.128 11.503 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 46.894 0.244 12.408 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 51.650 18.389 15.875 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 51.081 18.822 16.511 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 51.483 18.847 15.052 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 24.103 92.785 20.048 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 24.850 92.348 19.638 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 24.190 93.702 19.788 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 60.697 77.808 7.005 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 59.980 77.359 6.558 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 61.094 77.135 7.558 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 71.505 93.637 0.083 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 72.325 93.708 0.571 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 70.870 93.320 0.726 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 59.935 94.182 -9.042 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 59.981 95.106 -8.798 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 60.501 93.737 -8.411 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 53.461 81.218 6.840 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 52.819 80.679 7.302 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 54.281 81.072 7.311 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 75.218 44.027 40.537 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 76.032 43.524 40.533 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 74.557 43.417 40.208 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 59.222 78.080 44.842 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 58.459 77.598 44.522 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 59.282 77.847 45.768 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 31.687 44.910 15.409 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 32.509 44.851 15.897 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 31.613 45.835 15.175 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 24.181 87.589 39.406 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 24.715 87.618 38.613 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 24.784 87.825 40.111 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 65.028 19.024 22.172 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 65.366 19.205 21.295 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 64.285 19.620 22.270 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 76.468 68.326 29.718 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 76.422 68.867 28.929 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 75.638 67.850 29.732 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 65.769 63.583 16.064 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 65.024 63.877 15.540 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 65.451 62.802 16.516 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 61.505 96.155 10.800 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 62.012 95.541 11.331 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 61.957 96.173 9.957 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 43.790 30.785 -10.375 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 44.460 31.276 -9.898 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 44.095 29.878 -10.353 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 75.849 86.918 16.381 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 76.235 86.469 15.628 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 76.589 87.086 16.965 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 45.724 86.095 17.498 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 44.840 85.795 17.712 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 46.245 85.293 17.454 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 31.838 42.443 0.032 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 32.280 42.371 -0.814 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 32.455 42.064 0.658 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 34.595 45.914 14.031 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 35.473 46.273 14.159 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 34.732 44.969 13.953 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 42.627 67.536 -10.254 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 41.867 67.537 -9.673 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 43.376 67.663 -9.672 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 82.746 87.200 39.943 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 81.992 87.789 39.983 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 82.831 86.982 39.014 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 56.448 18.104 39.681 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 55.938 18.753 40.165 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 55.972 17.990 38.858 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 51.304 22.394 4.100 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 51.862 23.107 3.787 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 51.380 22.432 5.054 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 58.421 11.336 62.486 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 59.241 11.793 62.672 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 58.692 10.520 62.065 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 71.282 24.377 -2.742 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 72.162 24.537 -2.400 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 71.325 24.659 -3.656 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 22.976 82.695 38.338 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 22.906 82.156 39.126 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 22.165 82.526 37.858 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 69.047 80.177 18.327 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 69.395 81.063 18.227 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 69.493 79.666 17.651 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 70.771 70.366 43.000 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 71.318 69.682 42.615 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 70.957 71.145 42.476 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 57.263 94.687 -11.842 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 57.214 94.449 -10.916 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 57.214 93.852 -12.307 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 28.199 3.519 -17.223 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 28.769 3.683 -17.974 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 27.859 2.636 -17.367 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 38.957 65.005 61.272 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 38.744 65.154 62.193 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 39.898 64.828 61.268 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 87.735 71.509 66.680 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 88.514 71.576 66.128 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 87.055 71.972 66.193 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 44.291 83.742 6.451 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 45.111 83.525 6.008 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 44.562 84.155 7.270 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 65.915 67.414 2.621 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 66.283 67.581 1.753 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 66.671 67.422 3.208 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 52.084 23.544 -14.244 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 52.616 23.983 -13.581 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 52.511 22.696 -14.372 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 23.497 24.308 34.191 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 23.706 23.509 33.708 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 24.316 24.548 34.625 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 63.553 91.641 -15.874 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 63.446 90.692 -15.930 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 62.660 91.981 -15.827 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 59.632 84.391 32.867 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 58.854 84.690 32.397 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 59.464 83.465 33.044 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 86.818 15.804 -11.432 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 86.371 15.285 -12.101 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 87.297 15.160 -10.910 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 60.537 85.617 -2.439 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 60.482 85.032 -3.195 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 61.230 86.237 -2.665 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 74.488 96.106 8.410 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 75.154 96.793 8.362 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 73.836 96.359 7.756 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 59.564 17.662 16.687 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 60.480 17.898 16.838 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 59.113 17.929 17.488 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 57.474 93.481 3.404 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 57.659 92.548 3.510 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 58.019 93.911 4.063 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 87.235 13.173 45.434 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 87.166 14.105 45.226 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 86.865 13.095 46.313 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 76.090 95.135 25.217 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 75.570 94.388 24.919 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 75.591 95.902 24.935 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 55.932 9.435 34.855 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 55.228 9.030 34.349 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 56.218 8.751 35.461 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 51.111 11.618 -14.650 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 50.425 11.627 -15.318 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 51.769 12.233 -14.973 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 79.471 81.692 7.663 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 79.291 81.763 8.601 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 78.918 80.970 7.367 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 42.789 1.174 32.359 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 43.710 0.916 32.327 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 42.499 1.142 31.448 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 72.318 68.123 -9.970 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 72.381 67.279 -9.524 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 71.417 68.160 -10.289 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 47.979 47.313 2.354 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 48.802 47.102 1.912 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 48.143 48.156 2.776 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 62.397 2.628 30.622 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 62.857 3.363 30.217 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 63.094 2.043 30.921 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 72.873 82.780 53.454 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 72.682 82.433 52.583 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 72.441 82.173 54.055 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 44.046 22.530 34.686 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 44.996 22.574 34.578 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 43.914 22.453 35.631 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 27.336 41.289 6.325 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 26.436 41.388 6.015 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 27.478 42.046 6.894 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 64.229 55.769 36.996 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 63.735 54.962 37.142 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 64.331 55.819 36.045 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 60.821 69.611 24.731 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 60.128 70.195 24.422 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 60.372 68.787 24.922 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 29.188 56.893 50.928 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 29.154 56.421 51.760 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 29.917 57.505 51.029 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 61.292 46.071 11.542 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 60.671 45.351 11.431 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 60.916 46.607 12.241 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 36.863 84.935 -5.171 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 37.565 84.677 -4.573 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 36.412 84.117 -5.380 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 52.829 66.683 51.069 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 52.463 67.562 51.166 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 52.540 66.397 50.202 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 22.095 71.999 -17.253 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 21.940 72.322 -16.366 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 22.686 71.255 -17.137 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 58.507 77.460 16.597 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 58.877 77.132 17.416 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 57.711 77.921 16.861 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 22.623 71.141 17.433 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 23.098 71.244 18.258 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 23.268 71.345 16.757 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 44.759 24.456 -4.273 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 44.358 24.288 -5.126 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 44.207 23.982 -3.651 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 56.724 83.411 14.571 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 56.556 82.500 14.328 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 56.724 83.408 15.529 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 41.303 63.143 -18.213 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 40.490 63.287 -18.698 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 41.046 62.596 -17.471 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 27.361 69.826 4.373 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 28.283 69.749 4.619 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 27.264 70.734 4.088 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 45.757 1.133 23.777 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 46.242 1.675 24.400 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 45.547 0.337 24.266 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 23.632 28.699 39.182 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 23.422 27.790 39.395 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 23.541 28.750 38.231 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 64.277 85.730 39.627 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 64.052 85.497 40.528 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 63.437 85.756 39.169 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 70.430 56.999 26.352 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 71.135 57.594 26.608 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 69.627 57.495 26.513 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 88.795 70.088 51.849 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 89.555 69.628 51.494 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 88.373 69.448 52.422 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 20.663 20.365 59.958 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 21.260 20.226 59.222 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 21.232 20.382 60.728 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 56.966 57.932 19.547 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 56.692 57.019 19.635 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 56.241 58.357 19.089 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 50.602 59.597 5.580 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 51.077 58.993 5.010 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 51.240 60.278 5.793 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 46.494 74.624 5.176 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 47.198 74.227 4.664 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 46.324 73.995 5.878 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 84.691 76.969 -0.015 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 84.088 77.489 -0.545 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 84.134 76.325 0.421 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 87.614 25.666 2.050 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 88.242 25.942 1.383 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 87.253 24.845 1.716 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 54.657 86.416 38.938 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 55.531 86.587 39.288 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 54.298 87.284 38.753 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 31.207 18.905 54.470 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 31.759 18.688 53.719 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 31.729 19.524 54.981 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 23.877 85.591 57.853 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 23.412 86.311 58.279 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 24.535 85.318 58.492 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 82.141 21.003 -2.858 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 82.806 21.549 -2.437 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 82.497 20.821 -3.728 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 62.558 48.513 60.114 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 62.977 49.276 59.715 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 61.667 48.519 59.765 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 30.364 66.578 30.106 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 30.372 67.490 29.816 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 31.172 66.206 29.753 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 51.077 95.084 24.607 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 51.458 95.817 24.124 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 51.344 94.308 24.115 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 66.281 59.118 39.194 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 65.602 58.713 39.734 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 65.987 58.979 38.294 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 22.703 64.353 62.491 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 23.410 64.106 61.895 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 22.224 63.539 62.646 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 86.861 13.926 -16.970 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 86.855 13.098 -17.450 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 86.537 13.700 -16.098 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 62.139 27.679 64.398 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 62.846 27.876 63.783 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 62.346 28.195 65.176 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 49.029 36.607 50.882 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 48.709 37.232 51.533 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 48.977 37.079 50.051 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 85.697 34.154 20.958 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 86.628 34.319 21.110 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 85.263 34.483 21.745 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 81.538 80.627 -18.901 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 80.958 80.340 -19.606 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 80.964 81.087 -18.289 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 29.302 20.614 40.858 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 29.468 20.825 41.777 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 29.106 21.458 40.450 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 22.835 95.863 32.499 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 22.415 96.307 33.235 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 23.702 95.624 32.826 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 57.209 88.516 27.994 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 57.097 87.723 27.470 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 58.138 88.729 27.913 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 84.471 54.566 54.616 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 83.541 54.732 54.772 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 84.812 54.295 55.469 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 46.904 92.798 8.904 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 46.390 92.565 8.131 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 47.400 92.006 9.110 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 60.530 22.127 -3.134 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 60.678 23.072 -3.110 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 61.359 21.763 -3.448 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 75.500 53.581 15.218 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 75.130 52.941 15.826 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 76.143 54.063 15.739 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 73.989 3.919 40.195 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 74.901 4.210 40.170 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 74.042 2.975 40.344 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 66.686 39.138 -12.994 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 67.168 39.092 -13.819 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 65.780 38.945 -13.235 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 35.241 37.423 2.326 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 35.883 37.864 1.768 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 35.680 37.332 3.171 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 82.058 13.195 60.097 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 82.294 12.335 59.747 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 81.570 13.616 59.390 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 86.635 77.807 28.681 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 87.356 77.218 28.460 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 86.112 77.320 29.318 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 71.316 64.081 42.602 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 71.190 65.019 42.461 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 70.432 63.736 42.726 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 24.262 9.042 66.613 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 25.121 8.632 66.512 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 23.642 8.313 66.579 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 62.488 75.395 -5.129 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 61.547 75.502 -4.995 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 62.615 74.448 -5.196 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 80.624 2.017 52.824 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 80.403 2.243 53.728 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 80.482 2.826 52.333 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 37.836 83.719 16.682 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 37.083 83.130 16.646 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 38.570 83.156 16.926 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 32.313 89.579 -5.740 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 32.237 88.625 -5.767 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 31.429 89.884 -5.538 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 70.536 79.454 35.179 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 70.826 78.843 34.502 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 70.253 80.231 34.697 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 67.883 13.935 -14.656 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 68.310 14.783 -14.531 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 68.563 13.292 -14.458 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 34.054 86.333 18.347 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 34.100 86.050 19.260 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 33.474 87.094 18.360 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 71.707 80.556 6.116 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 71.122 81.309 6.033 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 71.397 80.095 6.895 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 66.931 70.573 56.691 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 66.450 69.831 56.323 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 66.279 71.270 56.762 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 65.957 63.901 -5.906 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 65.227 63.287 -5.825 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 66.417 63.838 -5.069 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 83.332 23.766 9.507 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 82.389 23.849 9.369 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 83.516 24.331 10.257 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 29.895 66.885 64.903 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 30.814 66.974 64.652 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 29.764 67.554 65.575 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 29.275 54.456 5.855 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 29.473 54.413 4.920 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 30.122 54.339 6.285 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 23.437 82.197 23.513 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 22.518 82.443 23.620 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 23.897 83.030 23.410 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 46.802 64.791 -9.506 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 46.261 64.407 -8.816 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 46.917 64.084 -10.141 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 73.157 78.324 42.821 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 72.455 78.937 42.604 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 73.047 78.155 43.757 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 32.700 34.764 50.842 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 33.000 35.660 50.995 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 32.026 34.848 50.168 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 61.515 86.656 39.502 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 61.409 86.168 38.686 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 61.129 86.090 40.171 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 58.402 22.432 49.240 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 58.796 23.258 48.961 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 57.472 22.527 49.032 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 42.685 76.334 -3.543 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 43.192 75.606 -3.182 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 42.748 77.022 -2.881 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 28.251 68.967 1.848 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 27.916 68.070 1.854 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 28.004 69.322 2.702 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 90.345 53.445 35.479 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 89.804 53.054 36.166 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 89.751 53.546 34.735 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 63.481 81.988 50.081 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 63.108 82.599 50.717 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 63.759 81.237 50.606 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 44.484 25.036 45.083 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 44.210 25.603 44.362 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 43.773 25.098 45.721 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 24.729 54.524 9.147 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 24.035 54.905 9.685 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 25.368 55.230 9.045 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 88.426 63.024 12.329 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 88.507 63.490 11.497 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 89.328 62.911 12.630 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 60.043 93.113 -6.137 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 59.564 92.302 -5.965 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 59.398 93.807 -6.001 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 72.647 32.730 24.459 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 71.947 33.383 24.467 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 73.448 33.240 24.338 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 25.482 45.805 53.624 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 26.232 46.205 54.065 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 25.162 46.485 53.031 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 43.284 11.252 29.268 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 44.150 11.417 28.893 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 43.442 10.615 29.965 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 51.741 92.303 -15.751 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 51.042 91.972 -15.187 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 52.447 92.533 -15.148 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 33.163 32.363 36.559 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 33.715 32.390 35.778 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 33.520 33.045 37.129 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 74.301 79.606 9.257 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 73.479 79.387 8.817 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 74.961 79.566 8.564 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 51.871 24.729 18.129 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 51.323 25.513 18.179 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 51.490 24.215 17.418 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 67.556 13.616 57.124 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 68.338 14.159 57.225 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 67.338 13.342 58.015 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 33.828 88.756 25.286 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 33.828 87.887 24.884 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 33.658 88.592 26.213 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 32.508 54.022 18.905 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 33.393 53.903 19.250 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 32.317 54.949 19.050 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 59.590 77.050 18.987 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 60.128 76.280 18.802 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 60.221 77.754 19.134 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 77.141 54.906 60.736 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 77.776 55.493 60.326 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 77.330 54.964 61.673 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 89.603 91.826 16.856 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 89.927 91.156 17.458 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 89.159 92.460 17.418 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 32.047 67.941 20.737 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 32.671 67.443 20.209 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 31.493 67.275 21.145 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 67.153 61.531 51.083 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 66.868 61.508 51.996 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 67.352 62.452 50.915 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 45.025 0.984 17.420 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 45.958 0.855 17.246 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 44.773 0.227 17.948 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 42.182 37.557 -14.507 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 43.088 37.348 -14.278 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 41.843 38.024 -13.744 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 75.148 93.371 -2.582 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 75.459 94.245 -2.818 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 74.209 93.482 -2.436 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 75.739 68.949 64.163 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 75.089 68.946 64.866 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 75.284 68.563 63.414 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 75.270 58.380 28.307 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 75.458 59.048 28.966 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 74.682 58.812 27.687 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 36.062 91.992 22.666 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 36.189 91.345 23.361 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 35.618 91.510 21.969 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 72.998 20.787 56.187 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 72.252 20.552 56.739 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 73.261 21.654 56.494 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 50.113 33.730 59.927 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 50.993 33.354 59.908 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 50.032 34.194 59.094 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 90.028 77.922 46.614 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 89.370 77.252 46.800 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 89.789 78.656 47.180 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 72.850 51.136 -14.346 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 73.350 51.764 -14.867 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 73.323 50.310 -14.447 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 64.565 12.931 -6.144 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 63.732 12.735 -5.716 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 64.371 12.882 -7.080 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 86.251 15.909 -8.158 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 87.032 15.356 -8.157 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 86.372 16.497 -7.413 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 33.418 76.169 5.457 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 34.205 76.187 6.002 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 33.704 76.513 4.611 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 78.309 70.466 4.466 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 77.613 69.897 4.138 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 79.066 69.888 4.565 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 48.907 14.200 63.695 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 48.198 14.394 64.308 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 48.492 13.689 63.001 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 74.255 47.855 40.168 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 74.302 48.120 39.250 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 73.386 47.466 40.261 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 20.323 14.132 6.922 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 20.377 15.075 6.769 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 20.362 13.744 6.048 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 41.716 82.267 46.150 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 41.135 81.543 46.381 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 42.096 82.546 46.983 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 69.151 40.144 61.934 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 69.641 40.931 62.172 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 68.989 40.235 60.995 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 57.688 74.469 -3.646 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 58.464 74.618 -4.187 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 57.004 74.227 -4.270 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 80.727 51.668 -18.886 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 80.864 50.831 -19.331 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 80.384 52.247 -19.566 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 48.515 75.614 16.605 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 49.090 74.849 16.613 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 48.352 75.802 17.530 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 69.300 88.779 52.836 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 68.770 88.061 53.182 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 70.141 88.374 52.620 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 41.606 28.423 13.226 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 41.103 28.824 13.935 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 42.486 28.315 13.588 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 25.718 87.675 -5.172 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 26.560 87.226 -5.241 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 25.642 88.169 -5.988 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 30.824 20.823 -17.584 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 30.324 20.219 -17.034 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 30.526 21.692 -17.317 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 25.104 9.327 4.273 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 24.843 9.087 3.383 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 25.825 9.945 4.153 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 58.285 7.891 16.394 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 58.009 7.215 17.013 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 59.210 8.035 16.593 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 26.733 46.299 12.323 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 26.201 46.911 11.814 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 27.577 46.740 12.421 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 31.904 25.871 10.669 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 31.057 25.743 10.243 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 32.470 25.202 10.284 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 30.771 76.276 9.842 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 31.665 76.601 9.948 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 30.563 75.868 10.683 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 45.500 37.314 47.959 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 45.174 36.964 47.130 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 44.958 38.086 48.122 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 51.883 79.891 34.335 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 51.139 79.302 34.461 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 52.649 79.316 34.346 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 46.657 26.686 -14.174 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 46.861 27.257 -13.434 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 45.898 26.180 -13.886 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 67.399 90.494 43.451 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 66.686 90.006 43.041 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 67.755 91.035 42.747 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 27.009 22.791 0.380 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 27.801 23.306 0.534 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 26.291 23.377 0.617 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 47.585 72.602 42.240 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 47.691 73.539 42.075 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 47.084 72.281 41.490 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 50.605 33.021 6.423 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 50.152 32.841 7.247 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 51.145 33.789 6.609 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 20.259 71.810 -19.210 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 20.447 70.873 -19.264 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 20.753 72.111 -18.448 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 89.345 68.004 3.501 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 90.006 67.328 3.658 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 88.608 67.752 4.056 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 85.180 88.145 40.440 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 84.405 87.787 40.007 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 85.816 88.265 39.735 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 31.318 61.099 58.348 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 32.170 61.291 57.955 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 31.075 60.246 57.988 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 60.803 77.849 -9.212 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 60.348 77.163 -8.722 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 60.656 78.646 -8.702 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 45.343 15.471 48.084 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 44.660 14.890 47.750 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 44.872 16.119 48.608 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 52.513 85.440 28.859 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 51.925 84.685 28.899 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 52.207 86.019 29.557 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 40.465 57.735 61.228 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 41.321 57.491 61.579 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 39.862 57.088 61.593 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 28.574 64.434 5.877 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 28.136 64.593 6.713 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 29.422 64.061 6.118 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 75.364 92.940 19.881 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 75.096 92.036 20.050 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 74.558 93.449 19.968 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 61.775 85.587 23.597 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 61.016 85.419 24.156 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 62.317 84.803 23.687 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 55.365 73.237 -5.389 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 55.924 72.498 -5.153 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 54.768 73.334 -4.647 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 34.925 72.889 6.449 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 34.647 72.249 7.104 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 34.369 72.712 5.690 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 83.290 5.334 -1.488 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 83.945 4.708 -1.796 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 82.954 5.742 -2.286 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 77.610 47.214 6.778 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 78.452 46.890 7.099 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 77.112 47.416 7.570 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 48.651 5.369 29.204 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 48.624 6.012 28.496 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 47.980 4.727 28.971 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 84.877 61.040 22.018 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 84.630 60.124 22.143 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 84.296 61.353 21.325 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 74.810 44.065 -2.326 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 74.269 44.344 -1.588 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 75.455 43.472 -1.941 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 40.768 85.346 -6.791 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 40.861 86.127 -6.246 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 39.844 85.337 -7.042 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 40.231 16.575 50.451 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 40.415 17.478 50.709 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 39.551 16.651 49.782 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 67.221 95.254 24.691 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 68.120 95.209 25.016 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 67.079 94.413 24.257 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 43.008 62.875 1.504 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 42.307 62.275 1.251 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 42.851 63.050 2.432 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 25.037 38.687 32.884 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 25.444 38.507 32.036 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 24.697 37.839 33.172 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 21.223 78.157 -3.166 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 21.151 77.238 -3.423 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 20.345 78.392 -2.866 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 55.146 29.500 22.098 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 54.620 29.987 21.463 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 54.653 29.564 22.916 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 67.820 60.492 20.071 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 68.711 60.143 20.081 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 67.270 59.756 20.339 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 41.714 61.308 10.859 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 42.054 61.825 11.589 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 42.494 61.006 10.393 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 78.526 4.634 -16.725 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 77.727 4.932 -17.159 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 78.260 3.850 -16.243 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 28.216 10.467 56.474 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 28.941 10.755 55.920 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 28.035 9.572 56.187 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 89.574 95.553 22.064 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 89.517 96.303 21.471 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 88.725 95.120 21.985 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 36.917 93.257 67.248 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 36.056 93.034 66.894 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 37.513 93.164 66.506 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 40.320 80.034 15.049 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 40.014 80.772 15.576 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 41.244 79.940 15.282 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 35.784 74.370 49.778 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 35.381 74.117 50.608 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 36.723 74.252 49.921 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 75.696 49.969 58.695 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 75.292 50.687 59.182 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 74.975 49.576 58.203 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 69.078 77.818 -20.237 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 69.148 77.122 -19.584 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 69.633 78.521 -19.899 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 20.978 19.483 42.369 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 21.396 18.809 42.905 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 20.603 20.094 43.002 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 65.189 91.359 49.064 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 64.647 91.856 49.677 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 65.907 91.952 48.844 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 87.383 31.779 26.473 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 86.866 31.265 25.852 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 86.748 32.364 26.886 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 48.778 1.914 1.215 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 49.508 2.534 1.218 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 49.166 1.089 0.923 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 63.987 62.084 40.653 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 63.143 62.278 41.059 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 63.783 61.451 39.964 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 62.968 78.966 56.410 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 63.196 78.272 55.791 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 62.012 78.998 56.394 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 79.758 63.226 38.828 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 79.107 62.996 38.165 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 79.786 64.183 38.814 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 64.174 51.817 21.308 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 63.717 52.626 21.537 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 64.409 51.926 20.387 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 23.176 82.709 -9.639 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 22.407 83.063 -9.193 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 23.426 81.945 -9.118 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 35.413 3.936 -6.475 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 34.532 3.737 -6.792 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 35.809 4.456 -7.175 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 43.958 13.803 52.006 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 43.856 13.258 52.786 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 44.884 13.724 51.777 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 65.099 91.384 -0.081 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 64.609 91.562 0.722 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 65.278 92.249 -0.450 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 78.942 92.895 13.314 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 78.892 91.943 13.398 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 79.837 93.113 13.574 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 54.993 75.993 41.176 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 54.201 75.610 41.554 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 54.851 75.954 40.230 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 67.176 59.265 47.407 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 66.817 58.862 46.617 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 67.759 58.600 47.773 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 71.196 69.676 36.927 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 71.695 69.344 36.181 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 70.698 70.414 36.574 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 74.160 14.443 -16.304 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 74.973 14.332 -15.811 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 73.937 13.561 -16.600 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 26.004 13.337 52.909 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 26.243 12.445 53.161 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 25.639 13.248 52.029 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 24.802 7.224 8.348 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 23.911 7.126 8.683 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 25.287 6.497 8.740 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 49.834 83.546 56.800 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 50.727 83.763 57.066 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 49.634 82.736 57.269 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 58.178 28.298 8.350 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 58.025 28.881 7.605 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 58.021 28.846 9.119 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 39.414 80.133 29.287 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 39.405 80.985 29.724 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 40.154 79.670 29.680 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 77.109 3.951 51.806 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 77.451 3.576 50.994 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 76.589 4.703 51.522 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 55.511 -0.072 -1.660 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 55.744 0.832 -1.871 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 54.841 -0.303 -2.302 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 20.271 84.363 14.220 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 20.400 84.486 15.160 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 20.306 85.247 13.855 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 78.528 68.052 53.726 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 77.896 68.721 53.987 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 78.292 67.839 52.823 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 54.495 74.089 6.722 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 53.729 73.569 6.966 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 55.191 73.778 7.301 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 55.357 62.528 60.072 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 55.770 62.071 60.805 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 54.485 62.139 60.008 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 74.553 86.095 28.395 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 74.026 85.761 29.121 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 74.132 85.742 27.611 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 76.374 1.599 34.198 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 76.440 0.859 33.594 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 76.554 1.223 35.059 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 86.232 41.911 52.053 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 86.167 42.528 52.782 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 87.109 41.537 52.133 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 89.992 62.142 19.257 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 90.459 61.341 19.493 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 90.287 62.340 18.368 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 71.455 43.315 48.402 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 71.190 44.183 48.099 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 72.012 43.484 49.161 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 47.972 90.580 44.543 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 48.216 90.609 43.618 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 47.036 90.780 44.551 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 47.722 17.665 1.080 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 47.376 17.415 1.937 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 48.348 18.363 1.269 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 23.554 71.125 9.506 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 22.864 71.696 9.168 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 23.773 71.494 10.361 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 48.634 92.545 14.424 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 48.273 93.333 14.018 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 49.582 92.681 14.410 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 43.951 56.331 33.421 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 43.165 56.579 33.908 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 44.619 56.199 34.094 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 69.249 36.617 0.704 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 69.719 37.201 1.300 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 68.592 36.190 1.255 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 78.953 2.913 1.457 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 78.958 1.966 1.319 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 79.366 3.272 0.672 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 84.284 68.356 45.294 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 83.572 67.913 44.832 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 83.932 69.221 45.505 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 55.980 71.711 22.660 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 56.374 70.884 22.384 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 56.721 72.307 22.767 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 31.856 20.384 56.805 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 31.384 20.454 57.635 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 31.838 21.270 56.444 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 41.246 0.938 39.333 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 41.060 0.243 38.702 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 41.124 1.749 38.840 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 74.990 83.389 -14.381 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 75.154 83.763 -15.247 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 75.830 83.013 -14.119 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 59.327 4.588 26.236 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 58.618 4.360 26.837 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 59.862 3.795 26.184 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 76.298 48.857 51.712 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 76.945 48.156 51.786 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 76.764 49.570 51.275 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 41.063 46.043 28.356 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 40.382 45.959 27.688 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 41.880 45.865 27.890 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 21.658 55.086 47.758 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 22.030 54.605 47.019 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 22.208 55.866 47.838 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 24.652 58.215 57.775 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 25.342 57.915 58.366 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 25.076 58.271 56.919 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 53.197 47.047 -9.033 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 52.287 47.320 -8.915 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 53.441 46.657 -8.194 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 71.190 1.469 11.585 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 71.160 2.066 10.838 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 71.404 0.618 11.203 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 84.899 49.491 15.713 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 84.739 48.548 15.709 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 84.113 49.870 15.319 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 52.673 36.861 42.247 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 53.227 37.635 42.152 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 51.917 37.167 42.748 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 59.439 52.851 62.524 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 59.382 53.340 61.703 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 60.040 53.361 63.066 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 89.380 49.358 45.513 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 90.074 49.100 46.120 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 89.202 48.568 45.002 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 60.478 39.962 -3.967 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 59.817 40.216 -3.323 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 60.416 40.629 -4.651 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 45.399 10.388 -0.617 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 44.677 10.939 -0.920 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 45.037 9.904 0.124 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 29.908 40.384 -6.617 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 29.215 40.928 -6.244 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 30.410 40.982 -7.171 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 38.870 59.200 15.240 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 39.397 59.837 14.756 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 39.287 59.148 16.100 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 73.763 45.432 57.716 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 73.278 45.089 56.966 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 73.771 46.380 57.584 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 29.031 62.543 -2.699 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 29.969 62.726 -2.647 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 28.938 61.662 -2.337 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 63.042 84.060 46.350 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 63.918 84.166 46.721 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 62.487 83.849 47.100 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 60.815 80.515 1.746 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 61.234 80.544 2.606 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 60.280 79.721 1.767 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 59.496 72.001 -4.551 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 59.300 71.625 -3.693 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 60.452 72.027 -4.589 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 41.642 93.313 51.857 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 40.967 92.744 52.226 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 41.989 92.821 51.112 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 74.148 96.436 -9.357 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 73.287 96.220 -9.000 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 74.722 95.740 -9.036 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 54.421 55.345 50.329 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 55.236 55.103 49.890 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 53.735 55.146 49.691 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 82.694 32.214 -8.772 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 82.389 31.627 -9.462 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 83.329 31.695 -8.278 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 52.715 51.539 -12.199 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 52.703 52.488 -12.072 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 53.474 51.239 -11.699 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 86.978 67.042 11.076 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 86.537 67.820 11.417 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 86.279 66.398 10.967 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 83.135 93.455 5.256 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 83.133 93.400 4.301 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 83.234 92.549 5.548 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 90.386 49.179 5.929 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 90.049 48.977 6.802 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 91.323 48.989 5.984 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 74.157 48.449 37.100 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 74.219 48.242 36.167 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 73.325 48.916 37.187 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 84.429 51.193 26.036 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 83.833 51.304 26.777 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 83.865 50.914 25.314 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 52.371 23.487 32.333 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 51.640 23.817 32.855 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 52.075 22.633 32.017 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 43.698 85.838 -12.933 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 42.981 86.381 -12.605 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 43.794 85.146 -12.278 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 60.733 59.107 22.698 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 60.337 58.860 21.863 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 60.365 59.969 22.893 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 21.954 52.853 20.354 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 22.120 53.255 21.206 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 22.720 53.081 19.827 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 87.877 64.404 5.298 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 87.705 63.474 5.150 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 87.069 64.843 5.032 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 20.351 41.626 48.407 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 21.009 40.951 48.245 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 20.400 41.788 49.350 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 56.084 72.154 27.257 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 56.561 71.362 27.012 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 55.211 72.034 26.883 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 51.914 69.208 30.912 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 52.259 69.541 31.740 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 52.384 68.386 30.769 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 85.393 35.667 29.593 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 86.098 36.163 29.178 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 85.835 35.115 30.238 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 74.870 84.779 48.030 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 74.774 84.341 47.185 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 75.115 85.678 47.809 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 23.818 72.215 11.978 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 23.180 72.929 11.968 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 23.635 71.742 12.790 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 89.993 80.092 6.931 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 90.493 79.329 6.641 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 89.333 79.734 7.526 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 78.928 92.192 -8.449 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 78.849 92.462 -9.363 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 78.243 91.534 -8.333 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 79.221 32.576 25.652 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 79.086 32.974 24.791 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 78.366 32.634 26.079 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 27.225 5.974 52.872 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 26.445 6.518 52.761 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 27.222 5.392 52.112 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 81.733 62.549 20.939 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 81.542 63.408 20.563 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 80.919 62.291 21.373 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 83.045 74.405 36.285 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 83.125 74.168 37.208 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 82.106 74.539 36.152 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 34.636 59.814 20.840 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 35.217 60.262 20.225 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 33.840 60.344 20.848 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 70.551 35.772 64.447 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 70.264 36.671 64.610 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 70.529 35.353 65.308 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 28.168 88.844 1.692 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 27.331 89.298 1.796 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 28.144 88.499 0.800 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 31.919 22.309 22.865 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 31.013 22.614 22.811 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 32.278 22.468 21.992 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 63.664 71.564 -10.894 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 63.703 70.644 -11.155 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 64.334 71.649 -10.215 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 36.319 80.126 34.842 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 35.564 79.608 34.561 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 37.078 79.597 34.599 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 46.155 74.209 45.972 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 46.342 75.144 46.050 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 46.708 73.797 46.636 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 60.322 54.391 -5.000 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 59.369 54.312 -4.969 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 60.487 55.332 -4.949 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 62.859 53.656 22.594 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 62.106 53.612 22.004 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 62.639 54.353 23.212 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 57.891 19.793 25.718 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 57.143 20.214 25.293 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 57.706 19.864 26.655 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 33.618 75.382 41.338 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 33.439 74.748 40.644 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 33.672 74.855 42.136 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 26.706 19.288 5.405 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 27.456 18.799 5.744 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 27.037 19.718 4.616 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 89.440 80.206 0.502 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 89.079 79.889 1.329 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 90.017 79.503 0.206 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 38.083 77.394 -16.604 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 37.402 77.217 -15.956 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 38.872 76.991 -16.242 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 69.624 67.206 63.640 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 70.297 67.783 63.281 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 70.113 66.525 64.103 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 77.032 60.841 20.533 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 76.740 61.505 19.908 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 77.714 60.357 20.068 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 76.375 6.328 66.431 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 76.107 5.954 65.591 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 76.685 7.207 66.214 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 68.067 60.018 34.698 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 67.541 60.771 34.428 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 67.572 59.625 35.417 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 29.848 47.233 -8.733 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 30.242 46.398 -8.986 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 29.608 47.646 -9.562 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 30.050 25.373 35.510 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 29.797 25.258 36.426 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 29.220 25.396 35.033 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 90.287 42.763 51.053 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 89.739 43.534 51.201 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 89.838 42.056 51.515 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 56.055 16.018 60.323 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 56.560 16.601 59.756 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 56.670 15.325 60.563 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 76.723 2.857 -3.900 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 77.348 2.141 -3.787 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 77.250 3.587 -4.224 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 43.157 80.518 -14.799 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 42.774 80.152 -14.002 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 43.550 79.767 -15.243 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 41.393 93.548 4.698 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 42.285 93.396 4.386 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 40.861 93.566 3.903 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 47.085 67.161 65.106 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 46.983 67.338 64.171 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 47.794 67.741 65.384 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 38.470 69.177 31.744 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 38.953 69.883 32.172 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 38.939 69.028 30.923 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 71.583 62.008 0.075 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 72.123 62.782 0.230 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 71.172 61.829 0.921 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 59.473 4.274 40.362 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 59.847 5.102 40.664 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 60.229 3.758 40.079 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 52.326 7.407 29.648 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 51.799 8.054 29.179 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 53.172 7.418 29.200 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 82.968 41.163 40.638 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 82.376 40.804 41.300 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 83.770 41.367 41.119 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 23.829 10.083 59.180 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 23.966 10.624 58.402 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 22.921 10.251 59.433 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 26.626 7.284 -11.234 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 27.121 8.103 -11.218 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 27.293 6.599 -11.176 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 22.072 18.234 52.514 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 22.273 18.652 51.677 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 22.917 18.170 52.959 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 76.738 70.003 36.766 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 76.379 70.889 36.723 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 76.341 69.547 36.023 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 21.269 89.903 -8.223 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 21.477 89.827 -7.292 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 20.829 90.749 -8.302 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 67.866 67.436 -4.166 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 67.793 67.377 -3.214 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 66.972 67.314 -4.484 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 72.386 81.439 12.669 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 72.899 81.392 11.862 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 71.508 81.158 12.412 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 48.091 15.921 30.046 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 47.904 16.575 29.372 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 48.009 16.398 30.872 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 33.664 3.004 25.329 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 34.438 3.453 25.668 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 33.678 3.178 24.388 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 90.275 74.895 47.793 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 90.984 74.271 47.946 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 90.254 75.007 46.843 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 32.930 80.877 30.336 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 33.241 80.869 29.431 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 32.120 81.386 30.306 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 57.637 79.443 -15.264 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 57.801 78.960 -16.074 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 58.392 79.244 -14.710 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 61.083 16.582 12.232 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 60.216 16.476 12.622 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 61.089 15.977 11.491 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 85.342 1.582 34.622 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 85.698 0.781 35.005 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 85.503 1.491 33.682 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 32.880 33.944 14.632 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 33.123 34.867 14.569 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 32.897 33.754 15.570 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 27.948 25.594 -13.161 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 27.441 25.911 -12.414 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 28.382 24.804 -12.839 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 79.439 96.266 57.187 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 80.080 96.352 56.481 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 79.806 95.596 57.763 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 67.815 4.186 -12.616 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 68.761 4.076 -12.717 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 67.637 5.060 -12.964 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 83.933 14.185 -5.129 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 84.812 14.411 -5.432 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 83.961 14.326 -4.183 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 84.869 42.185 33.073 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 85.143 42.840 33.715 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 85.516 42.253 32.370 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 58.491 32.699 4.468 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 57.992 33.133 5.160 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 59.227 33.287 4.297 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 42.015 13.832 14.084 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 42.653 13.135 13.927 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 42.483 14.639 13.870 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 27.257 88.044 19.876 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 27.219 87.834 20.810 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 27.911 87.441 19.521 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 43.591 14.871 3.550 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 43.174 14.699 4.394 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 42.873 15.144 2.979 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 65.754 81.008 38.727 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 66.184 81.206 39.559 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 65.397 80.127 38.845 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 32.146 15.557 29.709 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 32.540 16.128 30.370 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 31.816 14.808 30.205 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 23.758 37.590 38.487 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 24.472 38.225 38.427 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 22.970 38.095 38.291 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 71.752 52.946 -12.430 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 72.139 52.331 -13.053 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 71.379 52.391 -11.745 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 30.661 76.027 14.715 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 31.354 76.471 14.226 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 31.121 75.558 15.411 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 70.797 59.098 55.480 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 70.238 59.828 55.745 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 70.682 59.039 54.531 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 53.927 17.876 43.675 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 53.016 18.070 43.455 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 54.212 17.263 42.997 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 85.930 40.849 15.258 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 85.296 40.133 15.304 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 86.781 40.423 15.358 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 80.617 1.949 -1.505 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 80.558 2.903 -1.460 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 81.319 1.723 -0.894 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 63.738 84.118 26.483 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 63.426 83.465 27.110 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 63.209 83.970 25.700 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 46.016 11.168 42.118 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 45.574 10.326 42.005 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 46.678 11.185 41.427 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 61.013 87.072 57.407 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 61.278 87.312 56.519 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 60.678 86.179 57.325 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 88.307 23.576 -15.332 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 87.941 23.617 -14.448 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 88.617 22.675 -15.422 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 81.867 83.297 24.776 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 82.042 82.554 25.353 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 81.271 82.950 24.112 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 85.218 81.873 19.198 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 85.620 81.030 19.407 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 85.348 82.403 19.984 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 32.689 81.908 42.180 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 33.248 81.150 42.352 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 33.296 82.646 42.126 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 21.123 75.413 32.461 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 21.565 74.626 32.141 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 20.193 75.245 32.309 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 29.343 74.468 -5.790 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 30.171 74.068 -6.054 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 29.248 74.237 -4.866 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 43.054 53.038 16.374 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 42.756 53.335 17.234 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 43.970 53.311 16.330 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 74.669 33.652 63.325 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 73.912 34.234 63.271 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 75.186 33.998 64.052 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 76.678 60.436 11.224 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 76.444 61.075 10.551 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 76.805 59.617 10.744 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 89.232 59.797 15.866 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 89.685 59.390 16.604 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 89.222 60.731 16.076 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 51.927 73.201 5.584 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 51.814 73.708 6.388 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 52.153 72.321 5.885 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 82.290 70.960 37.619 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 82.638 70.068 37.650 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 81.960 71.058 36.726 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 90.171 27.096 36.914 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 90.303 27.232 35.976 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 89.246 27.295 37.058 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 68.125 2.953 62.801 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 67.848 3.654 62.212 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 68.260 2.197 62.229 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 45.849 93.944 11.541 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 46.179 93.674 10.684 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 46.450 93.541 12.167 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 68.304 76.271 60.187 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 69.144 76.595 60.512 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 68.498 75.940 59.310 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 34.920 68.467 5.464 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 34.081 68.612 5.902 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 35.550 68.374 6.178 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 81.314 45.685 -13.957 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 80.834 44.870 -13.807 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 81.542 45.994 -13.080 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 52.540 73.883 0.048 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 52.398 74.382 0.852 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 53.323 73.362 0.224 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 36.703 54.373 8.448 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 37.079 55.226 8.668 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 37.361 53.958 7.889 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 74.510 86.647 64.828 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 75.305 86.162 64.604 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 74.359 86.445 65.751 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 54.962 82.747 25.892 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 55.556 82.274 25.308 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 54.155 82.844 25.387 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 81.050 19.921 5.659 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 81.246 19.977 6.594 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 80.943 20.830 5.381 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 79.489 51.098 5.204 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 78.717 51.663 5.243 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 80.127 51.598 4.695 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 64.535 88.683 -20.062 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 64.776 88.817 -19.145 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 65.342 88.846 -20.549 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 52.689 80.436 45.149 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 52.829 81.055 44.432 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 52.734 79.574 44.734 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 24.781 54.874 66.727 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 25.518 54.308 66.500 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 24.700 54.793 67.677 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 47.703 80.540 4.780 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 47.351 79.878 5.375 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 48.639 80.568 4.978 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 55.427 25.499 -3.237 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 54.863 26.136 -3.676 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 54.853 24.756 -3.053 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 21.457 63.436 3.105 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 22.388 63.365 2.895 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 21.197 62.546 3.345 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 50.159 94.259 32.289 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 49.961 94.176 31.357 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 50.637 93.459 32.506 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 60.569 76.291 -11.501 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 60.270 76.879 -10.808 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 61.295 75.807 -11.109 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 47.542 4.413 40.604 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 48.477 4.420 40.808 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 47.155 3.844 41.270 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 26.280 60.743 -1.766 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 26.966 60.119 -1.530 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 26.633 61.595 -1.511 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 59.939 66.340 60.549 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 60.348 65.999 59.753 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 58.999 66.254 60.390 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 53.987 89.893 3.620 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 53.862 90.005 4.563 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 54.634 89.191 3.546 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 64.502 65.630 -13.291 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 64.297 64.711 -13.119 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 63.764 65.947 -13.811 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 89.097 96.205 35.928 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 88.300 95.697 35.779 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 89.307 96.579 35.072 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 65.979 12.136 3.747 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 65.470 12.729 3.193 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 65.618 12.260 4.625 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 44.914 35.127 59.458 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 45.211 35.460 60.304 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 44.842 35.905 58.905 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 67.624 32.658 -13.788 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 66.987 33.265 -13.411 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 68.190 32.417 -13.055 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 65.660 42.353 11.178 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 66.293 42.097 11.849 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 64.821 42.381 11.638 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 30.331 65.362 -13.732 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 30.645 64.520 -14.060 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 30.615 65.997 -14.390 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 69.695 81.224 23.287 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 68.750 81.187 23.139 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 69.969 80.308 23.322 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 78.215 39.882 43.980 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 78.916 39.863 44.631 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 77.865 40.771 44.029 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 25.429 70.631 59.960 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 26.379 70.554 59.876 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 25.150 71.056 59.149 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 40.672 93.719 36.007 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 40.421 92.831 36.265 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 41.581 93.637 35.718 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 71.338 3.551 9.684 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 71.363 3.225 8.784 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 72.206 3.927 9.828 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 32.910 61.641 1.872 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 32.888 60.780 1.454 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 33.257 61.473 2.748 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 69.020 55.189 -16.317 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 69.426 55.531 -15.520 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 68.387 54.543 -16.005 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 64.349 77.362 -5.609 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 65.032 77.013 -6.181 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 63.724 76.644 -5.514 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 78.032 28.455 27.753 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 78.082 28.144 26.849 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 78.344 27.719 28.278 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 21.264 56.384 -3.149 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 21.281 55.509 -3.537 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 21.728 56.935 -3.780 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 62.289 92.240 31.487 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 62.802 91.655 30.929 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 62.702 92.175 32.347 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 82.525 0.434 -12.417 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 81.917 0.215 -11.712 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 83.324 -0.048 -12.205 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 87.529 92.232 66.576 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 87.541 92.672 67.426 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 88.066 92.788 66.011 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 84.836 87.980 -13.439 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 84.783 87.667 -12.536 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 85.722 88.334 -13.518 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 77.179 85.848 32.292 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 77.317 85.579 31.384 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 77.399 86.780 32.302 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 70.141 33.183 45.861 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 70.469 33.357 46.743 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 69.191 33.122 45.965 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 23.017 83.240 -5.203 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 23.361 84.057 -4.841 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 22.215 83.077 -4.708 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 23.098 1.311 30.881 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 23.299 1.921 31.591 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 23.033 0.457 31.309 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 58.523 42.477 1.823 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 58.565 43.368 2.168 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 57.631 42.187 2.015 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 36.412 80.099 -10.797 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 35.487 80.033 -10.561 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 36.645 81.007 -10.606 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 34.702 54.750 -4.388 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 34.572 54.654 -3.445 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 35.643 54.635 -4.515 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 49.685 89.568 15.905 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 50.370 89.396 16.551 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 49.488 88.709 15.530 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 85.893 77.170 5.594 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 85.228 77.738 5.207 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 86.012 76.468 4.954 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 41.990 65.941 50.499 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 42.042 66.442 51.312 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 42.616 66.368 49.913 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 52.418 78.173 15.509 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 51.610 77.760 15.203 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 52.500 78.964 14.977 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 32.974 94.704 -18.131 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 32.970 94.180 -17.330 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 32.071 94.667 -18.447 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 66.015 8.318 61.439 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 65.427 8.761 62.050 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 65.504 7.581 61.104 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 82.150 20.456 44.319 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 82.476 20.961 43.574 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 82.333 21.006 45.081 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 81.943 91.926 14.028 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 82.211 91.008 14.060 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 82.200 92.281 14.878 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 67.401 11.988 -4.468 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 67.248 12.498 -5.263 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 68.180 12.383 -4.077 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 57.707 19.397 53.722 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 57.462 20.248 54.085 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 56.983 19.169 53.138 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 29.042 94.820 62.689 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 28.391 95.516 62.598 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 28.526 94.025 62.825 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 52.941 15.855 -0.064 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 53.200 15.981 -0.977 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 52.761 16.738 0.259 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 21.288 17.911 -11.330 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 21.979 18.219 -11.916 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 20.498 18.357 -11.634 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 39.342 1.902 23.588 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 39.928 1.789 24.337 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 39.307 1.038 23.178 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 75.813 13.525 4.842 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 76.608 14.039 4.984 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 75.118 14.178 4.754 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 50.562 75.399 55.862 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 50.927 75.794 55.071 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 50.318 76.143 56.412 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 28.156 84.098 56.712 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 28.699 84.062 55.925 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 27.265 83.950 56.396 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 35.014 21.397 29.192 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 35.905 21.057 29.278 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 34.759 21.631 30.085 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 35.061 67.432 26.646 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 35.877 67.135 26.244 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 35.248 68.325 26.936 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 70.961 78.407 11.264 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 70.079 78.126 11.022 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 71.252 78.946 10.528 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 73.834 1.919 51.378 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 74.010 1.531 50.521 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 73.334 2.711 51.185 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 33.426 79.062 25.755 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 34.208 79.238 25.231 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 33.470 79.694 26.472 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 53.111 52.275 19.838 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 52.608 51.662 19.302 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 52.509 53.001 20.001 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 36.450 69.279 29.457 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 37.212 69.796 29.718 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 36.587 68.426 29.870 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 56.299 72.024 63.129 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 55.783 72.827 63.192 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 55.696 71.379 62.760 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 86.680 5.560 50.339 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 86.759 6.361 50.857 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 87.559 5.410 49.992 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 55.257 87.937 50.580 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 56.039 87.415 50.761 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 54.546 87.297 50.535 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 58.365 64.659 27.682 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 57.866 64.821 28.482 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 57.721 64.733 26.978 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 53.890 32.276 1.243 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 53.344 31.498 1.358 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 54.763 31.931 1.055 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 73.783 4.568 10.151 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 74.242 5.405 10.092 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 74.395 3.931 9.783 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 58.632 44.397 -10.752 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 58.828 43.897 -9.960 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 57.691 44.281 -10.883 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 66.355 67.155 28.918 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 65.521 66.883 28.535 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 67.017 66.835 28.305 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 82.172 91.890 40.104 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 82.856 92.558 40.147 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 81.525 92.249 39.496 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 50.325 26.514 40.043 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 49.675 27.216 40.005 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 49.851 25.732 39.760 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 77.340 89.890 -2.676 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 77.097 90.664 -2.168 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 78.241 89.703 -2.412 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 39.779 54.894 1.616 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 40.687 55.173 1.499 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 39.272 55.482 1.056 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 37.532 91.571 48.483 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 37.044 92.328 48.809 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 38.420 91.901 48.344 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 78.602 75.830 -1.683 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 77.731 75.800 -1.286 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 79.022 75.017 -1.401 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 85.722 30.684 7.475 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 86.678 30.654 7.462 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 85.510 31.616 7.425 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 81.102 46.819 41.920 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 81.555 47.635 42.135 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 80.172 47.037 41.986 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 42.798 94.565 55.371 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 43.270 95.375 55.564 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 43.304 94.153 54.671 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 62.474 69.325 -1.801 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 61.745 68.737 -1.603 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 62.624 69.804 -0.986 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 78.566 37.787 42.190 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 79.113 38.158 41.497 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 78.604 38.431 42.897 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 63.741 2.704 10.885 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 63.621 2.407 9.983 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 63.415 1.981 11.422 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 49.298 77.451 3.106 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 48.640 77.826 3.692 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 49.806 76.860 3.662 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 30.382 84.864 2.870 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 29.953 85.695 3.071 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 31.274 84.967 3.204 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 89.373 79.267 20.172 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 89.108 79.321 21.090 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 90.324 79.157 20.203 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 66.543 32.458 -19.701 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 66.608 32.163 -20.610 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 65.976 31.813 -19.279 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 36.897 14.184 13.427 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 35.977 13.961 13.282 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 36.881 15.099 13.705 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 76.967 25.529 33.474 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 76.206 25.816 33.978 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 77.720 25.823 33.987 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 72.852 86.383 44.758 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 72.014 86.827 44.635 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 73.378 86.999 45.267 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 41.367 14.726 47.401 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 41.370 15.655 47.170 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 42.213 14.399 47.094 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 83.743 3.243 41.533 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 83.451 4.079 41.169 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 84.546 3.041 41.052 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 38.934 74.418 -17.829 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 38.289 75.108 -17.982 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 39.765 74.883 -17.733 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 49.412 66.169 5.987 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 49.806 65.803 6.779 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 49.955 65.835 5.273 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 51.313 77.946 5.752 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 52.144 77.641 5.388 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 50.946 77.178 6.190 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 76.828 65.091 12.259 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 76.956 65.990 12.562 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 76.259 65.174 11.494 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 66.021 93.156 28.523 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 65.458 93.930 28.553 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 65.832 92.691 29.338 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 84.100 41.282 -15.915 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 83.573 41.882 -16.442 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 83.612 40.459 -15.929 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 55.031 25.573 19.697 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 54.167 25.521 19.289 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 54.858 25.891 20.584 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 75.157 69.324 32.322 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 74.437 68.995 31.783 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 75.940 69.180 31.791 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 82.042 54.598 12.765 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 81.251 55.009 12.417 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 81.982 53.685 12.484 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 47.232 57.533 9.987 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 48.102 57.814 10.271 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 47.334 57.345 9.054 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 20.792 45.544 -19.410 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 20.090 45.955 -19.914 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 21.577 46.040 -19.643 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 69.022 6.898 6.822 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 69.128 7.609 7.454 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 68.249 6.421 7.124 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 46.155 93.202 35.830 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 46.876 93.431 35.243 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 46.213 92.251 35.921 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 69.919 91.165 56.476 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 70.635 91.118 55.843 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 70.114 90.477 57.112 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 35.272 22.245 -16.469 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 34.952 23.141 -16.581 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 34.578 21.696 -16.835 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 41.505 15.305 -18.126 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 41.024 15.399 -17.303 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 42.043 16.095 -18.181 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 22.099 58.033 58.017 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 21.989 58.853 57.536 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 23.011 57.785 57.864 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 43.567 42.511 2.129 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 43.978 43.304 2.475 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 42.923 42.265 2.792 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 20.298 8.507 1.035 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 20.561 9.338 1.431 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 20.933 8.364 0.333 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 21.333 49.403 -1.779 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 20.750 49.083 -2.467 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 20.898 50.184 -1.439 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 76.709 42.821 19.350 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 77.123 43.678 19.243 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 75.781 42.980 19.177 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 50.891 95.411 40.810 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 51.401 94.697 41.193 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 51.432 95.731 40.088 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 51.673 0.675 23.278 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 51.762 1.595 23.027 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 51.399 0.233 22.475 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 81.204 80.316 19.183 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 81.803 79.664 19.547 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 80.898 79.929 18.363 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 85.971 86.580 59.235 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 85.587 85.707 59.143 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 86.855 86.420 59.566 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 22.190 7.425 -16.253 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 21.428 7.996 -16.151 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 22.830 7.764 -15.627 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 68.663 75.887 9.207 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 68.128 76.637 8.947 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 68.104 75.127 9.047 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 62.317 67.173 62.479 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 63.203 67.520 62.575 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 61.982 67.585 61.683 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 48.578 67.407 9.572 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 48.497 67.102 10.476 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 48.114 68.244 9.559 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 44.380 70.204 62.265 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 43.679 70.089 61.623 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 45.071 70.662 61.787 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 41.745 83.691 -19.772 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 41.186 83.580 -20.541 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 41.165 83.532 -19.028 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 34.552 21.432 31.914 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 33.641 21.139 31.893 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 34.497 22.379 32.045 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 71.027 86.821 -14.365 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 70.573 85.980 -14.314 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 71.256 87.025 -13.458 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 67.940 78.331 54.535 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 67.149 77.938 54.904 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 68.362 77.617 54.057 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 20.632 68.958 48.046 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 20.018 68.225 48.003 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 20.802 69.182 47.131 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 27.964 63.815 -9.150 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 28.750 63.274 -9.070 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 27.745 63.782 -10.082 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 61.241 3.973 -6.810 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 60.390 3.676 -7.132 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 61.087 4.186 -5.889 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 76.490 34.326 -6.362 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 75.977 33.541 -6.171 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 77.355 34.143 -5.993 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 86.957 22.099 6.215 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 87.764 21.636 5.987 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 86.279 21.668 5.695 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 43.531 90.042 9.914 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 44.234 89.665 9.385 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 42.934 90.433 9.275 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 26.237 37.851 62.459 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 25.966 38.758 62.316 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 27.061 37.921 62.942 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 45.501 55.653 63.175 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 45.652 55.815 64.106 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 46.373 55.689 62.781 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 82.068 68.611 39.812 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 82.636 67.915 40.143 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 82.549 68.983 39.073 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 84.032 95.567 3.228 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 84.332 95.131 4.025 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 84.717 95.389 2.584 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 81.785 56.549 30.857 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 81.418 56.372 31.723 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 81.516 57.447 30.663 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 70.544 66.313 -19.021 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 71.429 66.317 -19.387 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 70.080 65.645 -19.525 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 76.128 85.024 -16.423 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 76.960 85.378 -16.108 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 75.503 85.740 -16.304 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 82.197 43.891 0.544 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 81.440 44.312 0.137 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 81.823 43.318 1.212 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 49.278 88.007 19.886 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 49.703 88.031 20.744 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 48.976 87.104 19.793 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 76.746 94.867 64.168 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 77.411 95.170 63.550 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 75.950 95.332 63.911 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 47.594 94.752 22.857 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 48.049 95.221 23.557 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 47.238 95.442 22.297 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 29.332 61.448 24.624 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 29.022 62.034 23.935 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 30.024 60.933 24.208 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 62.521 49.055 12.441 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 62.581 49.751 13.095 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 61.681 48.630 12.618 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 52.588 69.005 54.102 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 52.821 69.625 53.411 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 51.940 68.429 53.698 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 20.859 44.254 16.422 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 21.756 44.114 16.118 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 20.928 44.971 17.053 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 65.315 2.990 61.099 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 65.784 2.279 60.661 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 65.995 3.627 61.317 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 71.034 57.550 40.522 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 70.194 57.993 40.637 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 70.863 56.643 40.775 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 21.073 46.425 -11.771 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 20.150 46.298 -11.551 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 21.144 46.136 -12.681 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 25.779 85.372 -2.425 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 25.360 84.949 -1.675 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 26.121 86.195 -2.076 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 25.031 33.418 10.275 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 24.244 33.883 10.559 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 25.010 32.593 10.760 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 68.318 68.969 65.898 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 67.783 68.359 66.406 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 68.533 68.491 65.098 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 89.298 75.193 3.836 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 89.795 74.458 4.196 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 89.870 75.951 3.957 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 69.883 51.106 12.081 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 69.088 51.603 11.888 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 69.716 50.236 11.719 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 32.752 92.691 -5.780 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 32.349 91.832 -5.908 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 32.322 93.256 -6.422 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 37.110 58.407 7.306 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 38.042 58.446 7.521 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 36.711 57.950 8.047 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 89.246 69.238 42.972 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 88.711 68.462 42.804 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 90.106 69.017 42.616 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 24.633 39.620 41.493 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 23.823 39.904 41.070 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 24.530 38.675 41.600 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 79.943 22.639 62.145 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 80.158 23.554 62.329 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 80.732 22.154 62.386 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 66.268 43.878 33.365 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 67.126 44.039 32.971 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 65.643 44.232 32.732 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 70.803 55.335 -13.990 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 71.641 55.574 -14.386 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 71.012 54.600 -13.413 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 68.794 28.503 -16.622 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 68.363 29.116 -16.027 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 68.902 28.994 -17.436 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 31.197 95.992 44.341 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 30.489 96.290 44.911 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 31.200 95.040 44.439 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 66.127 72.647 32.151 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 65.861 73.052 31.326 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 65.829 71.740 32.081 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 39.860 93.944 19.913 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 39.534 93.486 20.687 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 39.419 93.517 19.178 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 20.716 63.051 12.802 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 20.953 62.128 12.890 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 21.214 63.355 12.043 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 28.185 52.644 -14.469 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 28.616 53.153 -15.156 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 27.648 53.282 -13.999 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 89.842 81.021 62.304 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 90.702 80.770 62.640 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 89.571 80.281 61.760 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 47.093 22.168 30.121 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 46.450 21.620 29.671 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 47.456 22.726 29.433 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 87.287 59.967 50.697 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 87.012 60.798 51.085 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 88.049 59.702 51.212 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 52.189 18.373 53.195 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 52.925 17.994 52.713 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 51.780 18.976 52.575 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 88.712 52.505 8.435 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 89.655 52.342 8.472 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 88.540 53.084 9.178 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 81.544 4.662 -5.511 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 81.180 3.908 -5.976 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 81.771 4.323 -4.645 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 71.652 35.475 31.438 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 72.524 35.675 31.776 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 71.158 36.287 31.551 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 58.930 85.091 0.813 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 58.885 85.739 1.516 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 58.016 84.929 0.577 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 84.707 29.874 -17.324 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 85.650 29.855 -17.491 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 84.450 30.778 -17.503 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 81.142 57.169 18.660 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 81.986 56.720 18.697 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 81.365 58.100 18.654 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 49.748 41.971 -14.457 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 49.095 41.852 -15.146 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 49.693 41.171 -13.933 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 47.004 9.892 13.571 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 47.790 10.439 13.560 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 47.265 9.108 14.054 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 61.679 92.050 4.843 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 61.439 92.924 4.536 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 60.889 91.525 4.715 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 51.581 74.434 44.332 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 51.116 73.645 44.053 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 51.112 75.151 43.907 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 37.617 30.664 35.668 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 37.706 31.613 35.753 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 38.018 30.461 34.823 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 83.436 74.811 -4.260 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 83.047 74.373 -3.503 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 84.092 74.193 -4.583 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 38.206 85.625 -7.709 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 37.811 85.429 -6.859 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 37.502 86.036 -8.211 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 72.715 0.509 13.581 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 72.345 1.029 12.867 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 73.662 0.583 13.466 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 41.128 83.261 43.177 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 40.587 82.518 43.445 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 41.998 83.062 43.523 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 82.531 60.663 50.268 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 83.257 60.107 50.551 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 82.135 60.187 49.538 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 53.475 23.420 -4.417 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 53.674 22.664 -4.970 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 53.686 23.131 -3.529 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 50.451 67.975 55.745 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 49.806 68.636 55.996 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 50.388 67.928 54.791 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 88.368 24.650 56.157 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 88.944 25.413 56.208 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 87.489 25.002 56.294 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 85.168 57.985 -1.187 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 84.407 57.439 -1.384 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 84.832 58.661 -0.597 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 37.185 20.879 23.054 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 37.544 21.080 22.190 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 37.381 19.951 23.185 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 68.344 63.512 44.150 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 67.795 63.126 44.833 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 67.725 63.804 43.481 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 21.445 56.807 -7.646 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 20.949 56.003 -7.487 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 20.965 57.483 -7.167 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 67.335 93.673 1.135 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 67.537 94.606 1.063 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 66.678 93.622 1.829 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 77.208 30.961 66.521 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 76.840 31.039 65.641 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 77.330 30.020 66.647 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 56.696 30.787 6.339 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 56.576 30.724 7.287 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 57.141 31.624 6.209 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 89.222 74.839 41.613 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 89.514 75.105 40.741 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 88.817 73.982 41.480 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 79.976 62.524 -17.374 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 80.064 62.677 -18.315 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 80.875 62.506 -17.048 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 36.042 21.752 64.753 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 35.750 21.162 65.448 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 35.462 21.561 64.016 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 37.785 11.924 25.465 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 38.068 12.831 25.352 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 38.491 11.512 25.962 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 59.915 69.992 -13.042 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 59.076 70.452 -13.070 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 60.552 70.668 -12.809 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 66.254 2.850 23.928 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 65.296 2.840 23.927 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 66.499 2.309 23.177 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 77.952 23.713 4.971 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 78.624 23.879 5.633 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 77.182 23.446 5.473 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 72.263 95.710 16.020 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 72.010 96.287 16.740 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 72.714 96.283 15.400 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 74.521 68.763 -17.988 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 75.000 68.058 -18.422 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 74.086 68.339 -17.249 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 64.955 6.205 26.894 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 64.264 6.212 26.232 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 65.419 5.380 26.748 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 36.622 91.246 28.162 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 36.285 90.531 27.623 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 37.529 91.001 28.346 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 70.619 21.930 4.135 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 70.466 22.385 3.307 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 70.072 22.394 4.769 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 41.599 0.399 59.613 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 41.115 0.257 58.799 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 41.027 0.048 60.296 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 46.556 80.562 -13.291 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 47.160 79.884 -12.990 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 46.232 80.969 -12.488 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 81.903 63.755 -10.062 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 81.127 63.200 -9.991 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 81.588 64.635 -9.856 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 62.728 15.414 3.466 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 62.736 16.025 2.730 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 62.152 15.822 4.112 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 68.650 83.381 40.729 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 68.839 82.672 40.115 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 67.695 83.416 40.768 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 60.128 58.496 47.241 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 59.847 58.179 48.100 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 59.606 59.285 47.094 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 81.287 49.359 -19.988 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 80.829 48.538 -20.168 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 82.122 49.089 -19.605 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 31.468 60.983 61.430 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 31.408 61.161 60.492 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 32.043 60.220 61.494 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 45.715 35.812 -17.945 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 45.970 34.976 -17.554 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 46.430 36.409 -17.724 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 79.180 58.265 39.393 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 78.874 58.757 38.631 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 78.513 57.592 39.527 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 67.967 34.547 32.507 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 67.993 34.943 33.378 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 67.447 35.155 31.982 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 31.794 78.289 31.286 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 32.440 78.985 31.165 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 32.089 77.585 30.709 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 77.758 71.762 60.272 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 77.504 71.553 61.171 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 77.169 72.471 60.015 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 24.878 10.678 48.128 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 24.916 11.112 47.276 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 25.425 11.218 48.698 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 77.323 78.826 49.201 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 76.518 78.559 48.755 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 77.817 78.013 49.310 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 56.275 20.862 20.111 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 56.425 21.753 20.426 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 57.129 20.575 19.789 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 31.918 84.054 23.609 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 31.122 84.148 23.086 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 31.708 84.473 24.444 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 36.084 30.144 -0.645 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 36.130 30.849 0.001 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 36.451 29.383 -0.196 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 43.630 74.263 10.499 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 42.778 73.828 10.534 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 44.183 73.756 11.093 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 78.984 50.974 -0.387 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 78.305 50.300 -0.355 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 78.768 51.566 0.333 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 73.387 77.249 4.224 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 74.255 76.860 4.112 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 72.894 76.961 3.456 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 21.330 32.004 -0.283 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 21.997 31.755 0.358 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 21.660 31.666 -1.116 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 80.687 76.978 66.867 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 80.984 77.401 67.673 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 81.460 76.521 66.536 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 78.959 26.265 12.859 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 78.284 26.402 13.523 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 79.274 27.145 12.651 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 21.820 50.243 -16.544 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 21.208 49.521 -16.687 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 22.579 50.025 -17.086 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 62.318 81.813 12.236 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 61.760 81.960 11.472 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 62.364 80.860 12.318 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 27.825 69.861 52.489 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 28.317 70.474 51.943 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 28.393 69.700 53.242 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 88.468 66.152 27.553 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 88.904 66.204 28.403 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 88.443 65.216 27.353 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 80.790 4.988 3.019 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 80.542 5.896 2.842 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 80.190 4.467 2.485 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 42.813 93.867 -13.585 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 42.801 93.214 -14.284 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 43.731 94.128 -13.515 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 72.845 77.118 20.378 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 73.647 77.414 20.808 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 72.275 76.843 21.096 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 84.366 92.388 28.121 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 84.025 92.153 27.258 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 85.069 91.758 28.281 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 55.257 81.233 21.829 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 56.030 80.720 22.063 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 54.671 81.141 22.581 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 50.925 95.815 15.489 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 50.143 95.874 14.940 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 51.238 94.919 15.366 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 87.639 67.804 53.474 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 86.802 67.427 53.205 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 88.121 67.070 53.856 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 30.719 65.345 7.331 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 31.058 65.698 8.154 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 30.062 65.983 7.050 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 74.998 81.402 42.681 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 74.767 80.683 42.093 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 74.352 82.083 42.493 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 34.326 78.929 8.989 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 34.499 78.421 9.781 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 35.175 78.989 8.552 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 78.906 95.715 -14.603 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 78.757 96.028 -15.495 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 79.781 96.033 -14.380 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 56.906 65.204 22.830 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 57.375 66.011 22.622 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 56.706 64.815 21.978 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 21.693 71.897 3.598 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 22.605 71.628 3.485 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 21.294 71.187 4.101 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 66.396 46.692 -0.057 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 66.945 45.911 -0.134 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 66.994 47.377 0.240 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 82.738 87.769 44.188 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 82.339 86.933 43.945 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 82.012 88.393 44.179 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 72.699 56.882 -1.405 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 72.841 57.598 -2.024 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 73.290 57.074 -0.677 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 20.776 21.968 -19.894 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 21.363 22.578 -19.446 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 19.897 22.291 -19.694 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 88.903 33.392 8.723 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 89.583 32.740 8.553 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 88.714 33.304 9.657 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 45.533 88.854 21.032 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 44.662 88.660 20.688 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 46.075 88.989 20.255 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 28.933 57.225 7.728 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 29.702 56.687 7.918 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 28.627 56.913 6.877 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 84.344 2.056 59.030 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 83.857 1.779 59.805 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 85.010 2.656 59.366 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 60.947 77.893 -2.841 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 60.122 77.426 -2.712 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 61.122 78.309 -1.996 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 33.355 69.406 35.357 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 33.401 69.382 34.401 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 34.226 69.133 35.646 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 88.385 38.373 -12.722 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 88.483 37.621 -12.139 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 88.984 38.194 -13.448 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 83.912 39.820 38.026 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 83.733 40.049 38.939 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 84.433 40.551 37.694 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 49.728 88.253 6.467 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 50.534 87.738 6.454 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 49.783 88.764 7.274 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 84.196 56.988 36.836 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 83.310 56.952 37.197 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 84.546 56.107 36.970 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 20.969 82.766 19.992 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 20.191 82.481 20.471 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 20.644 83.418 19.372 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 31.630 23.103 34.058 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 31.905 23.810 33.474 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 30.674 23.149 34.057 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 52.735 81.236 66.287 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 52.916 81.651 67.130 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 53.131 80.367 66.357 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 50.554 79.747 29.435 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 50.702 79.385 28.561 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 50.584 78.988 30.017 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 25.980 28.044 40.517 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 25.800 27.628 41.360 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 25.115 28.259 40.166 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 86.213 53.990 1.273 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 86.702 54.783 1.056 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 85.898 54.139 2.164 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 24.411 67.826 -2.243 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 24.386 67.099 -2.865 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 24.663 67.422 -1.412 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 30.708 73.900 -10.037 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 30.053 73.320 -10.427 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 30.749 73.631 -9.119 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 90.156 41.134 39.588 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 89.256 41.214 39.902 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 90.243 41.824 38.931 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 64.419 83.909 -8.737 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 64.389 83.405 -9.550 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 65.017 84.633 -8.925 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 64.850 64.961 41.336 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 64.560 64.052 41.412 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 64.786 65.155 40.401 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 48.889 83.833 45.064 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 48.985 84.405 45.825 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 49.273 83.000 45.339 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 27.484 57.876 20.548 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 28.350 57.613 20.860 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 27.304 58.698 21.005 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 68.804 89.795 13.100 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 68.547 89.356 13.911 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 69.390 90.497 13.383 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 65.643 8.449 56.434 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 65.787 9.001 57.202 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 65.605 9.063 55.701 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 66.987 20.758 52.874 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 67.492 21.550 52.690 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 66.484 20.603 52.074 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 24.445 73.976 8.515 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 24.528 74.828 8.945 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 25.345 73.658 8.438 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 87.097 70.425 20.366 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 87.366 69.895 19.616 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 86.406 70.992 20.023 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 36.703 54.141 13.968 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 37.373 54.807 13.816 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 36.667 54.049 14.920 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 26.566 67.706 8.639 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 26.084 68.512 8.453 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 27.019 67.883 9.463 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 83.845 77.367 65.812 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 83.797 78.071 65.165 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 83.884 77.819 66.655 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 51.546 39.416 30.382 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 51.625 38.876 29.595 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 51.070 40.195 30.091 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 64.722 74.427 61.652 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 64.378 75.061 61.022 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 65.661 74.391 61.468 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 36.262 58.277 -11.321 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 37.156 58.037 -11.075 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 35.720 57.946 -10.605 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 89.252 77.927 16.578 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 89.926 77.907 17.257 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 89.688 77.585 15.797 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 29.918 42.678 55.509 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 29.112 42.890 55.037 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 30.620 42.994 54.940 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 71.104 4.244 16.765 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 71.721 4.974 16.819 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 71.633 3.505 16.463 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 27.713 19.312 47.806 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 26.983 19.651 47.288 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 27.951 20.034 48.387 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 24.663 78.551 60.037 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 23.858 78.122 59.748 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 24.765 79.296 59.445 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 80.022 69.109 14.173 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 80.129 68.379 13.563 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 79.988 68.697 15.037 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 64.022 16.767 54.962 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 63.248 16.589 55.497 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 64.672 16.131 55.260 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 69.708 44.255 -8.298 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 69.373 44.941 -7.721 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 69.532 43.439 -7.830 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 68.719 67.778 14.913 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 69.598 67.577 14.593 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 68.727 68.723 15.061 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 30.312 78.729 54.623 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 31.257 78.875 54.572 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 29.996 78.894 53.734 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 36.334 53.148 16.820 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 37.107 52.596 16.700 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 36.610 53.812 17.451 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 29.208 8.044 -13.718 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 29.455 7.992 -14.641 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 30.013 8.301 -13.268 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 53.222 88.869 -2.691 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 52.799 88.522 -3.476 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 53.159 88.161 -2.050 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 87.466 67.243 42.558 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 87.642 66.999 41.649 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 86.931 66.527 42.899 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 61.033 66.517 48.668 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 61.214 65.641 48.327 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 60.244 66.797 48.205 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 72.029 80.532 54.976 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 72.126 80.333 55.907 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 72.791 80.125 54.562 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 62.949 45.662 -0.830 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 63.489 46.283 -1.320 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 62.887 46.039 0.048 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 86.034 51.875 16.151 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 86.972 51.769 15.992 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 85.672 50.995 16.050 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 70.431 71.457 20.101 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 69.543 71.371 19.753 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 70.824 70.594 19.970 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 56.459 73.794 49.718 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 56.984 74.471 50.145 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 56.192 74.186 48.887 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 82.690 46.945 56.686 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 81.762 47.090 56.871 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 83.107 46.935 57.548 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 34.591 36.300 -14.089 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 33.769 36.512 -14.532 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 35.262 36.413 -14.761 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 86.561 55.855 -4.803 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 87.370 56.305 -5.047 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 86.823 55.251 -4.108 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 73.138 51.335 35.697 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 72.409 50.801 36.014 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 73.180 52.071 36.309 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 72.892 83.785 62.758 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 73.700 83.285 62.879 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 72.706 84.153 63.621 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 63.773 73.754 2.594 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 63.997 73.456 3.476 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 62.870 73.463 2.465 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 29.472 43.152 -7.357 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 30.130 43.480 -6.745 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 28.647 43.524 -7.046 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 42.707 0.896 21.465 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 41.824 1.163 21.208 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 43.030 0.388 20.721 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 29.612 47.856 19.017 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 29.400 47.047 19.483 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 30.499 47.717 18.687 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 38.274 39.596 22.835 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 38.712 39.113 23.537 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 38.938 40.206 22.513 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 63.114 24.475 58.751 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 62.403 24.956 59.174 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 62.696 23.690 58.397 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 49.584 54.965 49.625 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 48.972 55.661 49.863 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 49.693 55.053 48.679 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 35.568 85.738 33.577 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 35.612 86.674 33.776 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 34.632 85.547 33.527 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 33.508 33.928 17.464 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 33.438 34.626 18.115 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 34.366 33.535 17.625 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 85.204 72.359 59.213 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 84.606 73.067 58.974 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 85.553 72.046 58.378 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 33.821 24.181 23.245 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 34.609 23.878 23.696 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 33.110 24.006 23.860 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 37.276 90.116 -13.370 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 37.495 90.825 -13.975 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 37.731 90.342 -12.559 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 20.431 45.139 14.022 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 20.817 45.200 14.896 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 19.784 44.437 14.094 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 82.461 49.297 28.550 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 81.647 48.810 28.423 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 82.281 50.164 28.187 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 85.226 66.097 46.673 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 84.941 66.991 46.486 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 85.483 65.744 45.821 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 53.500 48.994 59.154 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 53.185 49.670 59.754 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 53.627 49.451 58.322 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 49.947 48.898 58.154 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 50.758 48.628 58.583 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 49.384 48.125 58.196 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 81.542 34.620 -9.155 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 81.588 33.666 -9.221 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 82.454 34.908 -9.202 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 71.406 1.687 -15.159 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 71.115 2.408 -14.601 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 71.903 1.116 -14.574 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 70.055 25.035 -0.333 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 70.700 24.749 -0.980 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 69.835 25.930 -0.593 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 84.859 54.125 -1.199 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 85.233 54.059 -0.320 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 85.610 54.043 -1.786 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 40.750 7.851 39.858 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 41.443 7.525 40.432 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 40.637 8.766 40.115 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 56.037 80.852 -9.336 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 55.875 79.920 -9.187 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 56.137 80.929 -10.285 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 73.302 78.156 7.117 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 74.208 78.143 6.807 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 72.846 77.530 6.556 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 54.895 4.694 51.105 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 54.976 5.224 50.312 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 55.798 4.529 51.377 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 87.599 33.928 55.210 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 87.172 33.172 55.613 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 88.511 33.869 55.495 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 69.062 84.671 54.926 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 69.129 84.341 54.030 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 69.966 84.702 55.239 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 25.338 60.718 50.109 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 24.559 60.431 49.634 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 25.965 60.004 49.995 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 88.626 8.465 39.358 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 88.203 7.770 39.863 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 88.160 8.471 38.522 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 73.765 94.663 49.647 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 72.859 94.496 49.386 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 73.870 94.185 50.470 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 63.535 63.444 61.486 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 64.363 63.346 61.956 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 63.639 62.905 60.702 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 85.189 37.627 -12.958 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 84.587 38.100 -13.533 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 86.036 37.679 -13.402 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 72.914 79.163 -6.055 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 72.409 79.386 -5.273 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 73.077 78.223 -5.975 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 30.948 0.717 14.510 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 30.610 0.816 13.620 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 31.216 1.600 14.765 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 38.331 69.947 6.569 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 38.092 70.343 7.407 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 38.143 69.015 6.682 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 54.304 67.885 19.009 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 54.520 67.352 18.244 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 53.347 67.910 19.022 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 50.728 56.797 -13.711 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 51.539 57.263 -13.915 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 50.035 57.431 -13.895 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 21.982 78.567 66.388 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 22.189 78.103 67.200 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 21.447 77.949 65.890 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 24.184 64.441 7.966 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 25.086 64.450 8.287 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 24.111 65.233 7.433 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 46.886 39.886 27.481 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 45.939 40.000 27.567 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 46.988 39.282 26.746 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 74.686 27.421 -14.281 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 74.320 28.287 -14.101 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 74.880 27.432 -15.218 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 34.336 77.102 3.175 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 34.042 78.012 3.170 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 35.276 77.154 3.349 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 67.116 54.255 -6.766 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 66.557 54.940 -6.397 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 67.096 54.412 -7.710 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 51.491 83.672 -15.153 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 50.839 84.018 -14.543 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 51.229 82.763 -15.295 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 90.107 87.692 25.853 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 90.900 88.166 25.601 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 89.489 88.378 26.108 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 73.008 74.046 23.805 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 72.357 73.924 24.496 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 72.679 73.528 23.071 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 25.969 49.494 66.348 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 25.450 48.690 66.391 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 26.686 49.350 66.966 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 44.819 30.600 54.734 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 44.544 30.275 55.591 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 44.874 31.549 54.844 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 84.052 78.163 -7.946 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 83.714 77.588 -7.260 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 83.474 78.927 -7.926 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 53.616 36.260 -14.722 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 54.103 35.763 -14.065 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 53.006 36.795 -14.214 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 85.854 47.211 -14.470 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 85.323 47.843 -14.955 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 85.924 46.457 -15.055 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 64.722 38.756 4.065 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 65.217 38.284 4.735 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 63.864 38.907 4.463 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 44.683 61.059 46.483 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 45.327 61.273 47.157 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 45.173 61.100 45.661 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 27.491 81.233 48.861 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 26.775 80.668 49.152 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 27.361 82.051 49.341 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 65.408 59.163 36.556 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 64.549 59.582 36.606 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 65.351 58.589 35.791 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 55.161 51.941 -9.016 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 54.780 51.186 -9.465 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 54.419 52.525 -8.859 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 31.382 81.637 53.254 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 31.687 82.372 52.723 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 31.827 80.873 52.887 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 71.640 34.394 10.341 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 70.838 34.793 10.681 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 72.253 35.124 10.257 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 70.834 59.854 48.273 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 70.474 59.130 47.760 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 71.598 60.145 47.775 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 25.148 53.848 13.751 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 25.432 53.332 12.996 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 25.928 53.913 14.303 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 81.950 81.953 34.162 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 81.758 81.490 33.346 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 81.151 81.865 34.682 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 23.235 86.761 13.137 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 23.669 85.964 13.443 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 23.886 87.189 12.581 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 21.207 84.914 46.946 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 21.821 84.635 46.266 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 21.759 85.102 47.705 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 21.012 48.437 42.784 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 20.649 48.649 41.924 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 20.455 48.908 43.403 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 81.081 50.558 31.191 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 81.917 50.122 31.025 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 81.190 51.434 30.820 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 73.182 24.790 49.952 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 73.814 25.413 50.311 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 72.331 25.207 50.088 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 48.262 91.594 -17.577 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 48.474 91.776 -18.492 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 47.361 91.269 -17.599 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 52.003 68.050 61.978 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 52.358 68.409 62.792 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 52.775 67.842 61.452 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 52.540 81.054 61.758 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 52.367 81.779 62.359 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 53.217 80.536 62.194 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 66.304 94.477 -18.167 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 66.242 93.717 -18.745 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 67.079 94.308 -17.631 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 32.226 63.417 42.098 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 32.595 62.555 42.286 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 32.933 64.030 42.299 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 80.048 66.231 64.386 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 79.384 66.581 63.791 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 80.103 65.302 64.163 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 39.164 47.304 54.148 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 39.794 47.978 54.405 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 38.860 46.931 54.975 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 52.615 12.095 46.288 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 52.594 11.665 47.143 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 51.792 12.580 46.243 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 52.039 0.051 54.215 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 52.532 -0.356 54.927 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 52.369 0.948 54.175 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 76.676 13.680 -5.965 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 76.007 13.822 -6.635 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 76.204 13.747 -5.136 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 70.804 94.791 -5.086 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 70.470 94.349 -4.306 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 70.666 94.165 -5.796 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 72.173 41.805 57.096 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 72.231 42.259 56.255 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 71.340 41.335 57.058 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 77.843 91.165 19.754 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 77.572 90.689 20.539 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 77.270 91.932 19.728 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 57.239 71.311 40.252 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 57.694 71.100 39.437 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 56.592 71.970 40.002 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 73.468 82.712 1.140 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 74.005 82.132 0.601 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 73.047 83.301 0.514 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 21.291 28.226 -11.191 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 21.044 29.009 -11.683 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 21.454 27.563 -11.862 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 53.799 22.896 61.400 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 54.246 23.673 61.736 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 53.219 23.229 60.716 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 30.772 81.888 -16.631 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 30.923 82.576 -17.279 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 31.624 81.465 -16.527 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 62.818 53.010 37.900 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 62.371 52.367 37.349 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 62.131 53.360 38.467 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 30.100 23.172 -17.022 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 29.255 23.344 -16.606 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 30.466 24.040 -17.189 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 69.796 7.559 -0.234 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 68.935 7.964 -0.129 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 70.202 7.632 0.630 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 83.547 0.743 -15.067 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 84.449 0.422 -15.089 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 83.184 0.384 -14.258 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 42.181 82.859 -8.621 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 42.033 81.917 -8.533 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 42.410 83.149 -7.738 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 30.870 75.470 22.595 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 30.966 74.559 22.316 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 29.926 75.625 22.586 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 37.905 8.166 -13.129 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 37.361 7.816 -13.835 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 38.609 8.633 -13.578 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 53.489 72.262 -8.514 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 54.029 71.472 -8.506 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 52.753 72.044 -9.085 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 20.139 59.835 7.718 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 20.476 59.559 8.570 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 20.797 60.445 7.385 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 42.399 49.652 -17.378 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 43.249 50.092 -17.365 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 41.819 50.264 -17.831 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 34.925 46.963 2.802 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 35.117 47.616 3.475 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 34.083 46.589 3.064 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 76.495 74.223 36.545 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 76.242 75.120 36.324 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 75.730 73.861 36.992 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 58.690 0.497 -11.510 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 58.629 0.790 -12.419 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 58.056 -0.217 -11.445 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 80.707 68.476 10.157 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 80.060 67.773 10.221 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 81.369 68.252 10.810 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 39.724 82.041 0.461 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 40.542 81.733 0.851 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 39.784 82.995 0.500 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 22.171 72.577 -14.164 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 21.409 72.256 -13.682 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 22.746 72.941 -13.491 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 86.205 57.051 -16.354 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 85.350 57.418 -16.132 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 86.004 56.248 -16.836 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 90.254 16.920 34.044 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 90.508 16.037 34.312 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 90.827 17.498 34.548 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 65.478 5.338 42.327 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 65.893 4.987 41.538 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 65.713 6.266 42.329 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 46.207 82.013 54.161 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 45.731 81.650 54.908 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 47.105 82.116 54.476 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 23.088 77.973 46.815 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 23.984 78.061 46.490 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 22.993 77.040 47.006 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 60.986 64.133 62.543 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 61.781 63.817 62.115 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 60.992 65.078 62.394 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 65.905 49.351 -6.435 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 65.001 49.588 -6.228 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 66.403 50.156 -6.291 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 40.120 92.993 48.976 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 40.794 93.561 48.604 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 39.641 93.557 49.585 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 36.658 8.383 -6.650 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 37.225 8.048 -7.344 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 36.275 7.600 -6.254 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 24.163 70.297 -3.389 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 24.446 69.426 -3.111 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 24.881 70.876 -3.132 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 60.027 51.147 52.487 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 60.792 51.335 51.944 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 60.360 51.160 53.384 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 89.959 93.203 14.547 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 90.898 93.201 14.733 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 89.547 92.993 15.385 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 21.343 32.390 -10.598 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 21.219 31.918 -9.775 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 21.351 33.313 -10.346 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 34.247 83.983 -14.622 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 34.795 84.097 -15.398 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 33.571 84.656 -14.704 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 26.810 95.367 -4.256 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 26.199 95.779 -3.645 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 27.664 95.444 -3.830 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 85.799 6.740 -4.415 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 85.670 7.634 -4.732 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 85.449 6.186 -5.113 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 82.729 68.226 64.377 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 83.089 67.919 63.546 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 81.882 67.786 64.450 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 73.794 51.497 0.331 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 73.184 52.232 0.279 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 73.439 50.938 1.022 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 23.164 90.832 32.613 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 23.802 91.139 31.968 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 23.129 89.884 32.483 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 32.428 9.992 -5.906 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 32.088 10.536 -6.616 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 32.681 9.172 -6.331 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 47.875 79.513 25.588 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 47.494 79.306 26.441 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 47.694 78.742 25.051 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 53.506 61.862 4.412 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 54.130 61.451 3.813 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 53.088 62.546 3.889 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 79.496 93.698 48.695 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 79.780 92.790 48.586 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 79.271 93.986 47.810 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 71.719 71.623 52.536 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 71.047 71.067 52.141 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 71.511 72.505 52.227 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 34.917 37.718 8.243 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 34.570 38.124 7.449 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 34.790 38.378 8.925 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 60.229 94.532 7.712 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 61.119 94.705 8.018 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 60.226 93.600 7.495 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 22.709 22.984 9.497 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 23.417 23.082 10.135 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 22.044 23.612 9.779 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 30.816 93.089 22.024 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 31.552 92.869 22.595 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 30.329 92.271 21.932 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 32.042 94.215 8.432 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 32.528 93.395 8.343 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 32.716 94.895 8.426 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 35.707 14.274 28.005 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 36.229 14.415 27.216 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 35.227 15.093 28.125 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 24.220 56.318 12.802 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 25.073 56.728 12.946 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 24.335 55.415 13.097 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 84.071 90.941 25.370 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 84.077 90.347 24.619 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 83.154 91.201 25.463 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 23.639 35.157 -10.305 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 23.711 36.096 -10.477 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 22.901 35.080 -9.700 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 30.933 44.738 -9.468 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 30.721 44.222 -10.245 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 30.738 44.157 -8.733 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 39.910 25.147 45.053 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 39.025 25.255 44.707 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 40.482 25.282 44.297 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 34.864 77.425 -16.656 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 35.116 77.390 -15.733 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 33.946 77.696 -16.644 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 46.617 80.409 45.410 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 46.854 81.207 45.883 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 45.704 80.543 45.157 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 33.632 7.424 27.780 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 33.114 7.358 26.978 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 33.078 7.035 28.457 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 24.168 42.752 67.576 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 24.579 41.888 67.584 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 23.969 42.915 66.653 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 77.306 80.434 -10.588 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 77.000 79.558 -10.351 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 76.508 80.959 -10.649 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 66.725 78.317 57.186 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 66.181 77.887 56.526 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 67.598 78.349 56.795 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 51.994 12.868 38.580 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 52.230 13.474 39.282 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 52.578 12.119 38.702 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 38.156 35.145 -14.389 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 38.795 35.329 -13.700 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 37.551 35.886 -14.359 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 63.193 19.485 40.585 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 62.484 18.854 40.460 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 63.175 20.026 39.796 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 27.860 58.805 41.753 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 28.368 59.372 42.333 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 28.301 58.870 40.906 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 45.719 0.476 38.946 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 46.600 0.213 39.214 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 45.317 -0.328 38.620 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 86.829 55.104 48.865 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 87.193 54.360 48.386 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 87.343 55.146 49.671 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 26.107 54.577 -6.673 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 25.471 55.225 -6.977 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 25.774 54.297 -5.820 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 68.163 45.938 22.802 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 68.449 46.762 22.407 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 67.248 46.089 23.038 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 53.187 75.967 -19.612 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 52.732 75.649 -18.832 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 53.208 76.918 -19.507 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 50.052 10.707 43.889 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 49.744 9.931 43.421 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 50.900 10.449 44.251 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 82.684 4.917 -15.478 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 82.343 4.245 -14.888 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 83.505 5.198 -15.074 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 75.709 65.007 9.476 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 75.571 64.503 8.674 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 74.841 65.345 9.700 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 62.422 26.801 36.823 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 63.345 26.679 36.600 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 62.159 25.969 37.218 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 66.731 28.704 14.910 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 66.425 28.255 15.698 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 66.695 29.634 15.135 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 26.300 40.571 -19.789 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 26.936 40.057 -19.291 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 26.784 40.873 -20.558 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 87.975 24.146 45.728 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 87.150 24.421 46.127 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 87.728 23.442 45.128 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 59.144 71.759 0.613 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 58.481 71.810 1.302 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 59.505 70.876 0.692 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 82.824 76.311 53.133 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 82.112 76.597 53.706 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 83.359 77.094 53.005 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 47.304 75.857 7.271 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 48.249 75.758 7.152 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 46.925 75.553 6.446 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 66.543 84.934 8.626 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 65.767 85.486 8.524 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 66.221 84.041 8.503 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 42.378 88.417 49.628 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 42.283 88.289 48.685 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 43.248 88.073 49.830 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 79.138 8.862 38.222 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 78.265 9.195 38.430 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 79.052 8.498 37.341 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 29.567 45.074 33.929 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 28.684 44.704 33.939 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 29.854 44.984 33.020 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 71.594 21.076 34.039 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 72.401 21.492 33.735 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 71.144 20.812 33.236 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 73.561 68.251 -15.179 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 73.444 68.966 -14.553 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 72.871 67.625 -14.960 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 57.211 2.127 30.676 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 56.852 1.331 31.068 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 56.743 2.840 31.111 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 22.214 38.393 5.520 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 22.101 38.368 4.569 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 22.986 38.942 5.655 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 37.465 8.604 63.901 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 38.352 8.337 64.144 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 36.893 8.048 64.430 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 89.904 55.181 38.923 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 89.743 54.482 38.289 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 89.122 55.191 39.473 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 44.758 90.301 67.050 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 45.527 90.848 67.211 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 45.038 89.418 67.292 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 63.168 22.153 47.907 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 62.348 22.349 47.454 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 63.734 21.783 47.229 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 45.958 70.724 1.139 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 46.232 70.063 1.776 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 46.773 71.143 0.862 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 33.607 58.622 -6.684 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 33.703 58.194 -5.833 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 33.332 59.515 -6.474 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 51.828 72.145 -12.088 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 51.791 71.593 -11.308 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 52.342 71.638 -12.717 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 75.408 90.833 51.095 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 75.785 90.021 51.433 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 75.465 90.745 50.143 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 65.862 41.187 38.406 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 65.388 40.526 38.912 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 65.187 41.618 37.882 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 55.280 2.129 1.406 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 54.680 2.700 1.886 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 56.148 2.365 1.733 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 22.996 11.584 -15.658 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 23.483 12.188 -16.219 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 23.360 10.722 -15.862 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 29.408 95.801 -2.894 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 28.831 95.529 -2.180 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 30.243 95.993 -2.467 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 84.428 41.691 13.236 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 85.085 41.336 13.836 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 83.656 41.834 13.783 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 54.031 45.331 57.117 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 54.860 45.569 56.702 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 53.360 45.700 56.543 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 27.124 71.137 -6.046 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 26.825 70.399 -5.514 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 28.047 71.241 -5.813 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 57.421 87.914 -3.557 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 57.235 88.847 -3.668 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 56.879 87.481 -4.216 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 34.296 93.945 66.767 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 33.809 93.141 66.588 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 33.954 94.250 67.608 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 89.906 63.834 -11.413 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 89.774 64.291 -10.582 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 90.137 62.940 -11.161 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 83.243 66.747 -10.086 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 83.527 66.556 -10.980 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 82.288 66.698 -10.122 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 75.542 5.201 49.985 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 75.602 6.131 49.766 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 74.679 4.934 49.669 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 68.892 74.634 42.728 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 69.045 74.757 41.791 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 69.020 75.503 43.107 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 29.191 55.312 26.233 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 30.070 55.028 25.985 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 28.782 55.576 25.408 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 88.511 30.609 -14.443 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 87.792 30.969 -13.924 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 88.225 30.709 -15.351 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 83.143 75.773 -9.339 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 83.507 76.503 -8.838 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 82.509 75.368 -8.747 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 73.430 76.786 11.461 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 73.063 75.959 11.150 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 72.674 77.367 11.548 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 67.695 75.027 23.901 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 66.834 75.382 23.680 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 67.849 74.345 23.248 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 63.113 16.724 14.107 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 62.345 16.650 13.541 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 62.905 17.447 14.700 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 44.056 33.467 56.512 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 43.671 33.976 55.798 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 43.674 33.840 57.306 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 41.240 39.697 42.060 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 40.672 40.408 42.356 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 40.637 38.993 41.819 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 29.140 17.178 -19.722 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 28.963 17.059 -18.788 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 29.483 18.069 -19.789 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 31.941 2.307 -13.549 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 32.433 1.572 -13.185 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 31.243 1.899 -14.061 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 51.559 76.969 53.909 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 51.770 76.781 52.994 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 52.302 77.482 54.226 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 73.821 23.918 63.682 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 74.657 23.982 64.142 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 73.550 24.826 63.548 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 50.184 24.629 50.238 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 49.373 24.120 50.232 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 50.304 24.899 49.327 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 60.992 55.607 -16.542 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 60.293 55.623 -17.196 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 61.488 56.410 -16.702 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 89.469 21.256 -15.328 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 89.290 20.334 -15.143 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 90.228 21.467 -14.784 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 41.497 54.003 -18.985 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 41.378 53.589 -19.840 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 42.122 54.710 -19.146 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 67.932 54.932 52.922 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 68.585 55.314 52.335 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 68.138 53.998 52.934 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 48.731 61.406 49.996 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 49.502 61.754 49.549 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 47.989 61.766 49.510 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 28.441 73.466 38.340 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 29.060 73.117 37.698 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 27.868 74.041 37.833 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 66.319 63.536 62.964 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 67.099 63.061 63.250 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 66.318 64.336 63.490 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 56.713 4.015 34.361 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 55.803 3.717 34.382 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 57.215 3.239 34.115 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 63.032 32.007 7.664 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 62.642 31.179 7.384 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 62.621 32.667 7.105 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 26.494 56.507 -18.145 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 25.968 57.275 -18.368 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 26.258 56.309 -17.238 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 26.349 88.562 57.309 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 25.409 88.479 57.147 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 26.466 89.470 57.587 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 81.288 80.848 -13.824 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 80.639 80.150 -13.913 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 80.772 81.634 -13.648 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 32.246 45.891 2.924 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 32.159 45.267 3.645 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 31.976 45.401 2.148 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 45.387 12.799 -7.159 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 46.055 12.453 -6.567 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 44.572 12.739 -6.661 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 41.257 44.300 33.741 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 40.469 44.834 33.841 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 41.952 44.929 33.549 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 55.582 87.038 46.175 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 55.973 87.838 46.527 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 55.900 86.992 45.274 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 89.322 74.193 -16.611 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 89.815 74.941 -16.274 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 89.421 73.518 -15.939 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 68.570 61.373 -1.335 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 67.792 61.644 -0.847 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 68.915 60.628 -0.843 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 43.106 60.115 50.395 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 42.667 60.230 51.237 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 42.745 60.807 49.840 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 83.453 37.120 56.215 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 83.912 37.755 55.665 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 82.572 37.481 56.315 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 22.794 53.425 -1.137 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 22.084 53.111 -0.576 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 22.360 53.683 -1.950 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 71.403 46.387 48.152 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 72.235 46.735 48.472 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 71.272 46.818 47.307 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 65.747 40.118 9.618 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 65.794 40.918 10.141 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 64.842 40.088 9.306 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 31.591 32.999 0.561 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 31.385 33.196 -0.353 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 32.410 33.465 0.729 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 66.174 87.506 22.364 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 65.649 86.807 21.975 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 65.532 88.148 22.670 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 62.476 49.180 -14.571 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 63.094 49.818 -14.214 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 62.453 48.478 -13.921 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 22.307 4.605 -16.647 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 22.116 5.541 -16.709 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 21.514 4.221 -16.274 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 38.800 37.531 -5.302 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 38.681 38.470 -5.164 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 39.741 37.426 -5.444 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 44.311 52.319 66.160 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 44.599 51.428 66.359 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 44.854 52.877 66.716 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 40.103 84.547 19.728 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 40.552 85.099 20.368 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 40.807 84.087 19.271 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 76.607 58.067 -19.800 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 77.495 57.863 -19.508 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 76.551 59.021 -19.751 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 29.815 91.518 -17.257 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 30.562 90.984 -16.988 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 30.198 92.360 -17.504 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 84.422 12.452 -11.387 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 83.922 11.773 -11.840 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 84.275 13.244 -11.904 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 33.983 69.770 56.585 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 33.031 69.875 56.590 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 34.323 70.664 56.619 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 65.923 40.375 60.270 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 65.872 40.782 61.135 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 65.297 40.864 59.737 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 52.371 89.483 52.526 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 52.804 89.957 51.816 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 52.037 88.686 52.114 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 32.659 10.205 3.219 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 33.486 10.073 2.755 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 32.919 10.453 4.106 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 48.843 40.350 30.754 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 48.543 40.758 29.942 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 48.325 39.548 30.825 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 66.823 39.229 -4.221 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 66.311 39.533 -3.471 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 66.771 39.947 -4.853 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 86.412 62.818 51.391 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 86.331 62.940 50.445 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 85.508 62.783 51.706 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 77.770 3.772 10.245 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 77.543 3.010 10.778 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 77.146 3.752 9.520 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 82.578 53.589 -2.610 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 82.352 54.262 -3.253 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 83.049 54.062 -1.924 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 55.435 71.777 3.199 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 55.077 70.899 3.333 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 56.347 71.711 3.483 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 78.183 26.502 3.487 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 77.987 26.855 4.355 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 78.142 25.553 3.598 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 73.039 21.654 -16.828 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 73.833 21.987 -16.410 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 73.304 20.824 -17.223 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 49.525 58.856 -15.075 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 49.193 59.260 -14.273 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 49.077 59.320 -15.782 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 66.255 93.707 -10.474 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 66.043 94.583 -10.152 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 66.594 93.850 -11.357 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 25.190 76.017 12.747 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 24.668 76.164 13.536 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 25.730 75.255 12.955 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 76.967 80.719 51.206 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 76.102 80.367 51.417 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 77.223 80.262 50.405 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 84.127 80.425 29.424 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 84.940 79.990 29.681 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 83.485 79.718 29.362 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 31.101 77.114 3.125 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 30.584 77.190 3.928 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 31.836 77.712 3.256 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 32.049 59.289 42.019 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 31.652 59.965 41.469 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 32.974 59.529 42.064 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 36.637 56.264 31.503 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 37.306 56.946 31.555 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 37.030 55.583 30.957 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 37.863 65.547 33.837 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 38.112 66.451 34.033 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 38.592 65.205 33.319 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 23.361 82.059 42.886 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 22.843 81.968 42.086 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 23.963 81.315 42.868 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 39.233 79.476 -14.418 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 38.922 78.610 -14.681 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 38.926 79.577 -13.517 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 27.246 93.791 4.551 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 26.826 93.912 3.699 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 27.528 94.669 4.807 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 86.715 40.154 -10.196 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 87.542 40.501 -9.862 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 86.064 40.816 -9.963 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 46.446 79.353 66.556 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 47.275 79.433 67.028 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 46.635 79.687 65.680 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 60.582 34.133 15.712 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 60.143 34.982 15.755 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 59.888 33.495 15.880 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 32.771 76.439 33.772 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 32.152 76.678 33.082 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 33.577 76.900 33.542 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 55.308 49.399 54.902 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 55.151 49.336 53.960 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 56.083 49.955 54.980 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 41.558 91.339 25.120 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 41.210 91.639 24.280 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 40.792 91.024 25.599 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 45.326 27.516 30.146 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 45.306 26.820 29.490 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 45.958 27.213 30.798 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 67.855 92.380 24.021 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 68.121 91.482 23.827 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 68.368 92.918 23.417 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 32.893 57.164 -3.789 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 33.580 57.702 -3.393 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 33.355 56.400 -4.134 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 55.656 84.661 65.111 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 55.610 84.422 64.185 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 56.154 83.952 65.518 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 77.616 11.712 42.122 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 78.025 11.779 41.259 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 76.932 12.381 42.116 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 24.390 32.687 46.822 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 24.748 31.865 46.488 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 23.442 32.592 46.728 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 42.828 96.139 8.706 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 41.924 95.835 8.625 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 42.962 96.701 7.943 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 44.897 70.247 -11.981 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 45.086 70.570 -11.100 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 45.748 69.980 -12.327 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 49.894 91.960 67.280 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 50.104 92.492 66.512 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 50.210 91.084 67.057 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 49.125 6.476 35.725 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 48.443 5.828 35.902 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 49.769 6.007 35.194 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 27.086 26.144 -0.465 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 27.649 26.884 -0.236 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 26.945 26.232 -1.408 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 36.771 95.119 35.985 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 37.345 94.897 35.251 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 36.741 96.076 35.985 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 69.523 2.117 -17.172 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 68.843 2.163 -16.500 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 70.345 2.137 -16.683 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 38.848 0.558 43.932 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 39.531 0.968 43.401 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 38.552 -0.186 43.408 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 48.606 42.706 -11.986 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 47.941 43.258 -12.397 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 49.141 42.391 -12.715 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 46.714 71.604 66.499 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 47.450 71.317 67.039 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 47.107 71.823 65.655 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 42.373 93.806 1.205 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 42.252 94.667 1.604 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 41.485 93.471 1.082 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 24.313 80.384 -18.495 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 24.033 80.757 -19.331 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 23.508 80.047 -18.101 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 25.391 71.809 30.342 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 25.606 71.628 29.427 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 26.157 72.273 30.681 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 54.517 4.934 21.937 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 54.768 5.807 21.635 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 53.617 5.036 22.246 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 62.105 4.741 0.190 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 62.813 5.190 -0.272 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 62.391 3.829 0.239 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 33.487 95.967 34.355 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 33.681 95.704 35.255 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 34.239 95.661 33.848 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 73.694 84.456 60.272 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 72.987 85.034 59.986 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 73.521 84.306 61.201 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 55.237 90.190 31.812 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 55.486 90.820 31.136 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 54.403 89.829 31.508 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 32.345 83.321 47.352 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 31.437 83.050 47.487 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 32.835 82.501 47.295 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 31.591 72.255 47.058 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 31.780 72.700 46.232 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 32.339 72.462 47.618 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 75.177 42.447 46.390 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 75.726 42.283 45.624 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 75.479 43.291 46.726 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 29.679 80.217 5.742 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 30.555 80.603 5.771 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 29.810 79.306 6.002 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 64.518 3.728 2.374 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 63.862 3.309 2.931 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 64.149 4.589 2.176 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 36.516 89.396 64.639 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 37.007 90.202 64.481 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 36.855 88.777 63.993 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 78.808 85.446 48.166 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 78.216 84.733 47.928 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 78.797 85.457 49.123 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 89.239 84.242 29.949 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 89.245 83.722 29.146 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 88.706 85.008 29.735 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 56.076 33.093 -12.691 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 55.816 32.990 -13.606 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 55.971 34.028 -12.516 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 78.233 96.105 14.376 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 77.417 95.605 14.399 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 78.620 95.974 15.241 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 24.066 13.476 55.194 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 23.285 12.935 55.081 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 24.186 13.906 54.347 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 38.331 42.722 17.014 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 38.633 42.567 17.909 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 38.758 42.040 16.496 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 38.997 87.888 36.818 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 39.198 88.253 37.680 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 39.546 87.107 36.754 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 35.628 87.053 -6.612 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 34.759 86.853 -6.960 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 35.818 86.333 -6.011 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 31.028 14.151 -14.205 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 31.582 13.442 -13.878 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 30.175 13.742 -14.352 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 66.989 66.248 37.695 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 67.118 65.386 37.300 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 66.635 66.786 36.987 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 88.526 28.730 63.526 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 88.797 28.595 62.619 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 87.638 29.082 63.462 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 76.368 89.493 22.108 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 76.512 88.563 22.281 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 76.876 89.944 22.783 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 75.687 70.100 25.091 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 76.245 70.062 24.315 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 75.360 69.206 25.195 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 59.372 3.122 9.755 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 58.776 3.007 9.015 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 59.449 2.249 10.140 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 68.589 50.224 34.545 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 68.544 51.133 34.841 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 67.859 50.134 33.933 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 73.449 28.741 64.100 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 73.894 29.373 63.535 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 72.766 29.249 64.538 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 75.482 30.308 3.929 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 75.140 30.748 4.707 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 76.361 30.671 3.816 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 22.405 9.134 55.485 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 22.517 10.008 55.859 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 23.278 8.743 55.523 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 55.648 95.143 1.955 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 55.063 94.583 2.465 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 56.526 94.916 2.263 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 30.072 72.623 35.989 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 29.957 71.781 35.548 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 30.997 72.640 36.236 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 78.100 77.037 54.984 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 77.512 76.408 55.401 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 77.583 77.415 54.273 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 50.928 88.906 43.501 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 51.174 88.692 42.601 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 49.971 88.863 43.506 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 85.711 27.573 38.948 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 85.187 26.918 38.488 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 85.425 28.410 38.582 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 31.795 6.944 48.109 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 31.520 6.691 48.990 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 32.737 6.775 48.094 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 69.849 20.935 -14.833 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 70.053 20.023 -15.042 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 70.654 21.412 -15.036 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 29.798 45.178 12.680 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 29.616 44.259 12.875 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 29.570 45.644 13.485 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 81.429 30.618 26.089 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 81.745 29.902 26.640 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 80.938 31.182 26.687 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 29.254 90.861 18.943 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 29.693 90.336 18.273 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 28.451 90.377 19.139 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 56.808 20.133 31.746 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 57.511 20.718 32.030 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 56.929 19.340 32.269 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 64.783 30.086 -18.299 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 64.305 30.576 -17.630 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 64.101 29.727 -18.866 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 21.806 58.468 26.300 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 22.598 58.754 26.755 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 22.111 58.197 25.434 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 62.557 28.997 67.031 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 62.061 29.700 67.452 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 62.048 28.206 67.207 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 52.464 24.465 -7.177 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 52.489 25.421 -7.132 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 52.218 24.190 -6.295 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 80.051 54.652 16.018 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 80.830 55.161 16.242 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 80.394 53.829 15.669 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 24.076 80.676 21.388 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 23.290 80.131 21.416 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 23.927 81.346 22.054 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 25.095 35.709 63.950 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 25.732 35.152 64.397 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 25.620 36.404 63.553 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 60.963 8.994 -0.947 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 60.663 8.993 -1.856 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 61.869 9.298 -0.994 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 35.368 62.996 -18.879 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 34.515 63.359 -18.642 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 35.193 62.454 -19.648 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 71.379 49.248 34.798 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 70.579 49.741 34.613 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 71.877 49.285 33.981 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 59.580 9.019 43.708 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 59.604 8.225 44.243 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 58.954 8.820 43.012 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 38.798 45.515 19.915 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 39.730 45.648 19.738 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 38.767 45.217 20.824 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 23.911 95.856 46.355 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 24.114 95.023 46.782 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 23.714 96.453 47.077 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 60.941 54.095 20.868 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 61.169 54.239 19.950 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 60.195 54.675 21.024 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 41.121 77.861 20.882 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 40.828 77.093 20.392 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 41.789 77.526 21.479 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 86.623 79.951 47.117 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 87.234 80.236 46.438 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 86.280 79.116 46.797 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 38.728 79.109 34.078 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 39.341 78.453 34.409 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 39.181 79.509 33.335 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 87.877 90.278 25.960 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 88.631 90.368 25.376 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 87.451 91.135 25.933 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 39.913 18.906 66.736 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 39.294 19.595 66.494 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 39.735 18.196 66.119 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 31.813 82.086 2.497 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 30.866 81.968 2.563 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 31.991 82.086 1.557 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 33.221 84.019 52.790 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 32.776 84.840 53.001 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 34.074 84.091 53.219 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 46.850 56.819 1.673 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 47.674 57.279 1.830 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 46.304 57.039 2.428 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 63.237 1.710 26.479 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 64.077 2.118 26.689 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 63.286 0.841 26.879 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 61.920 60.066 43.567 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 61.929 59.855 42.633 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 61.095 59.701 43.888 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 31.455 4.316 22.763 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 30.499 4.358 22.785 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 31.740 5.185 23.049 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 84.931 42.040 1.702 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 84.429 42.820 1.939 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 84.744 41.413 2.401 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 67.906 34.676 8.398 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 67.035 35.066 8.325 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 68.014 34.504 9.333 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 37.877 7.797 -2.732 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 37.440 8.619 -2.512 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 38.745 8.060 -3.038 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 81.801 20.019 -19.190 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 81.769 19.088 -19.407 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 81.282 20.098 -18.389 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 57.830 91.435 -5.989 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 58.374 90.975 -5.351 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 57.366 92.097 -5.476 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 83.065 66.033 -13.686 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 83.904 66.407 -13.415 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 82.519 66.792 -13.892 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 86.119 87.970 61.587 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 85.289 87.811 62.038 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 86.141 87.315 60.889 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 54.951 7.522 59.250 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 54.484 6.818 59.701 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 55.809 7.149 59.049 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 87.397 67.159 65.308 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 88.149 66.578 65.426 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 87.367 67.679 66.111 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 62.146 76.111 26.309 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 62.399 75.350 26.832 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 61.356 75.832 25.846 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 67.405 75.869 12.673 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 66.839 75.113 12.825 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 68.218 75.495 12.333 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 63.697 55.500 54.123 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 63.225 54.783 54.547 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 63.907 55.167 53.250 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 85.104 23.048 34.728 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 85.557 23.445 35.472 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 85.422 23.532 33.966 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 75.295 60.002 -8.602 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 74.597 60.597 -8.329 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 75.177 59.912 -9.548 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 65.966 40.240 21.035 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 66.862 40.330 21.360 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 66.026 39.576 20.348 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 65.350 10.869 44.431 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 64.611 11.262 44.896 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 65.171 9.929 44.449 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 46.161 80.663 14.197 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 46.279 79.744 14.438 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 45.999 81.110 15.027 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 76.419 58.982 -14.039 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 77.186 58.490 -14.334 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 76.136 58.530 -13.245 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 36.461 36.409 -4.647 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 36.684 36.351 -3.718 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 37.288 36.625 -5.078 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 85.666 39.066 18.037 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 84.948 38.951 17.414 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 86.289 38.374 17.816 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 20.419 42.357 43.289 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 21.073 42.986 42.984 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 20.507 42.361 44.242 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 35.743 90.756 56.459 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 36.227 91.579 56.379 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 35.087 90.928 57.134 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 32.994 33.683 25.132 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 32.327 33.171 24.674 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 33.770 33.619 24.575 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 89.190 62.197 32.040 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 89.239 61.260 32.227 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 88.414 62.496 32.514 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 77.043 56.300 39.961 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 76.276 56.335 39.389 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 76.847 55.600 40.583 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 74.380 50.495 -2.371 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 73.567 50.509 -2.875 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 74.120 50.764 -1.490 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 46.031 82.084 57.306 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 45.728 81.304 57.771 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 46.986 82.038 57.358 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 50.294 2.104 -9.542 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 51.093 1.599 -9.687 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 49.711 1.504 -9.078 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 84.500 78.686 17.189 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 84.119 79.489 16.836 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 83.904 78.426 17.892 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 24.162 84.445 14.184 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 23.805 83.601 13.908 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 25.094 84.276 14.327 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 29.032 62.295 50.162 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 28.940 61.739 49.389 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 29.612 63.003 49.882 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 48.793 91.038 55.176 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 48.169 91.191 54.467 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 48.249 90.830 55.935 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 84.317 64.523 15.768 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 84.076 65.437 15.917 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 85.094 64.567 15.210 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 38.301 56.651 -0.453 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 38.805 56.349 -1.209 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 38.659 57.518 -0.258 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 37.592 74.845 55.101 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 37.972 75.634 55.488 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 38.328 74.240 55.015 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 64.474 35.781 22.452 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 63.679 35.999 22.939 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 64.228 35.026 21.917 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 66.785 69.046 -0.125 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 66.505 69.202 -1.027 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 67.508 68.423 -0.203 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 83.402 50.814 37.118 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 82.480 51.068 37.086 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 83.875 51.583 36.801 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 72.394 16.141 50.050 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 72.162 16.051 50.974 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 72.082 17.013 49.808 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 69.197 68.196 -15.189 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 68.625 68.307 -14.429 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 68.597 68.126 -15.932 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 65.592 53.226 24.371 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 65.419 52.353 24.018 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 64.848 53.753 24.081 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 32.658 38.129 3.232 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 32.133 37.331 3.167 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 33.424 37.956 2.684 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 44.206 6.723 -13.935 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 43.529 6.341 -13.377 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 43.798 7.508 -14.303 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 22.114 88.944 19.245 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 22.349 89.851 19.050 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 22.817 88.425 18.853 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 83.252 57.213 41.534 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 83.923 57.778 41.917 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 82.545 57.811 41.290 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 77.148 31.167 -8.125 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 78.043 31.479 -8.260 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 77.099 30.975 -7.189 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 37.128 51.768 -1.426 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 37.446 50.926 -1.751 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 36.804 51.578 -0.546 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 69.198 59.178 22.870 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 68.313 59.514 23.014 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 69.093 58.227 22.846 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 61.183 54.782 39.451 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 60.998 54.251 40.226 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 60.456 55.404 39.408 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 51.635 48.983 -16.228 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 52.420 49.372 -15.842 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 51.351 48.330 -15.588 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 20.571 84.647 64.810 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 19.790 84.725 64.261 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 21.227 84.250 64.238 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 70.003 96.410 47.808 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 69.855 95.469 47.710 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 70.847 96.566 47.384 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 27.597 46.399 54.951 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 27.109 47.057 55.447 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 28.506 46.696 54.987 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 36.903 88.800 67.231 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 36.987 87.847 67.244 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 36.860 89.024 66.301 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 20.590 51.951 -11.476 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 19.917 52.533 -11.828 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 20.380 51.092 -11.844 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 53.308 68.024 56.477 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 52.716 67.290 56.642 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 52.882 68.524 55.780 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 62.312 24.429 49.208 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 63.199 24.786 49.246 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 62.414 23.576 48.786 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 33.634 69.460 2.729 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 33.808 69.304 3.658 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 33.016 68.771 2.482 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 41.306 82.631 -12.638 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 40.530 82.726 -12.086 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 41.512 81.697 -12.604 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 67.863 29.773 46.151 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 67.031 30.088 45.797 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 68.398 29.590 45.379 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 71.843 51.461 63.255 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 72.718 51.527 62.874 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 71.357 52.189 62.867 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 40.478 62.902 49.961 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 41.423 63.012 49.850 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 40.093 63.369 49.220 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 44.074 64.026 40.732 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 43.525 64.643 41.217 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 44.902 64.015 41.211 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 50.613 60.080 47.441 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 49.802 60.304 46.984 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 51.285 60.098 46.759 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 67.121 86.472 -16.948 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 66.666 87.298 -17.114 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 67.692 86.356 -17.708 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 88.461 93.325 55.131 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 88.277 92.648 54.480 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 88.038 93.011 55.930 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 42.889 46.994 59.172 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 42.241 47.683 59.322 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 43.135 47.092 58.253 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 23.158 44.423 36.164 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 23.883 44.854 35.711 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 23.458 43.524 36.296 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 80.687 79.968 42.739 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 81.289 79.295 43.057 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 80.536 79.742 41.822 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 88.340 86.083 15.944 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 88.236 86.419 16.835 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 88.925 85.331 16.038 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 37.465 54.219 -19.690 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 38.242 54.301 -19.139 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 37.781 53.798 -20.490 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 57.927 66.877 50.955 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 57.905 66.309 50.185 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 57.196 66.577 51.495 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 75.307 79.175 62.554 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 74.825 78.421 62.892 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 76.209 79.032 62.839 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 74.882 66.370 6.738 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 74.338 66.588 7.494 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 75.763 66.650 6.987 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 54.780 55.353 -9.572 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 54.727 55.029 -8.673 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 54.081 56.004 -9.634 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 44.035 94.293 66.725 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 44.496 95.117 66.876 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 43.526 94.153 67.524 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 41.819 48.515 31.432 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 41.482 48.811 32.278 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 41.075 48.597 30.836 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 24.074 10.218 45.162 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 24.355 10.701 44.385 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 23.495 9.535 44.823 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 84.966 78.733 -18.596 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 85.322 78.131 -17.942 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 84.473 79.376 -18.086 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 20.866 60.895 -11.760 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 21.220 60.609 -10.918 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 21.638 61.068 -12.299 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 60.721 28.368 28.773 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 60.263 28.979 28.197 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 60.984 28.898 29.525 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 37.136 25.502 44.202 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 36.826 25.190 43.352 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 36.784 24.873 44.831 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 65.395 72.710 -7.388 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 65.785 71.865 -7.163 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 65.921 73.029 -8.121 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 81.187 92.298 50.419 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 80.896 93.129 50.043 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 80.497 92.061 51.039 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 20.757 18.377 3.925 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 21.586 17.993 3.639 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 20.137 18.156 3.230 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 65.201 84.998 21.088 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 64.396 84.645 20.709 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 65.380 84.434 21.841 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 40.039 40.074 64.388 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 40.436 40.387 63.575 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 39.225 40.571 64.464 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 78.495 94.089 24.363 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 79.168 94.555 24.859 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 77.668 94.414 24.718 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 43.374 16.796 36.762 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 43.794 17.623 36.527 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 43.022 16.462 35.937 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 25.277 57.390 65.520 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 25.134 56.491 65.817 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 25.689 57.296 64.661 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 89.174 44.945 3.204 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 88.680 44.364 2.625 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 89.573 45.587 2.616 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 38.271 87.624 60.351 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 37.365 87.926 60.421 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 38.363 87.352 59.438 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 35.293 80.730 -13.136 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 34.781 81.416 -12.709 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 35.930 80.459 -12.475 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 77.953 35.265 63.035 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 78.136 36.082 62.572 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 77.258 35.490 63.653 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 61.569 35.033 -9.995 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 61.040 34.828 -9.224 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 62.435 35.241 -9.643 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 20.660 11.743 50.090 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 20.912 10.923 49.667 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 21.490 12.158 50.323 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 87.572 69.775 63.623 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 87.465 70.703 63.832 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 87.349 69.319 64.435 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 84.303 95.638 12.485 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 83.531 95.191 12.832 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 84.066 95.861 11.584 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 46.122 32.547 52.514 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 46.141 31.619 52.278 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 46.477 32.575 53.403 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 71.285 62.492 31.932 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 70.723 63.168 31.555 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 70.678 61.817 32.235 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 85.908 43.980 56.579 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 85.248 43.890 57.267 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 85.711 44.820 56.166 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 81.147 70.928 -1.690 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 80.448 70.316 -1.460 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 81.950 70.496 -1.399 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 76.595 68.233 -3.111 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 76.621 68.853 -3.841 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 76.370 67.395 -3.516 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 59.581 80.703 13.138 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 59.222 80.149 13.831 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 60.507 80.796 13.360 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 55.912 79.496 63.291 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 55.981 78.903 64.039 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 56.758 79.423 62.848 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 24.319 73.486 64.731 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 24.704 74.118 64.125 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 23.860 74.022 65.377 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 44.870 26.918 4.714 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 44.716 27.375 3.887 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 44.076 27.074 5.225 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 26.011 60.592 11.829 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 25.823 60.479 12.761 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 25.326 61.182 11.515 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 87.671 48.656 58.800 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 88.309 49.357 58.661 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 87.715 48.130 58.001 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 22.549 83.363 45.048 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 22.901 82.598 44.592 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 22.591 84.068 44.401 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 62.982 45.985 60.185 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 62.784 46.889 59.943 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 63.651 45.709 59.559 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 34.125 77.283 11.287 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 33.877 76.382 11.077 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 35.061 77.326 11.091 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 29.938 77.075 19.046 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 29.177 76.501 18.969 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 29.920 77.379 19.953 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 27.673 66.051 57.652 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 27.656 66.983 57.435 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 26.854 65.899 58.123 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 83.150 41.678 17.789 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 84.051 41.450 17.561 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 83.001 41.254 18.634 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 84.254 51.312 59.297 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 84.440 52.202 59.595 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 83.318 51.195 59.459 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 28.891 16.702 -11.541 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 28.172 17.149 -11.094 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 29.267 16.127 -10.875 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 46.644 23.811 54.484 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 45.896 24.401 54.388 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 46.896 23.891 55.404 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 22.617 62.502 42.702 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 22.886 61.845 43.345 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 23.122 63.282 42.931 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 70.418 94.262 64.638 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 69.532 93.910 64.718 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 70.444 94.990 65.259 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 25.253 73.402 -5.748 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 25.961 72.926 -6.182 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 25.681 73.860 -5.024 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 44.980 96.647 31.615 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 45.234 96.185 30.817 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 45.807 96.836 32.057 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 28.824 82.683 -9.805 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 28.327 82.852 -9.005 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 28.733 83.485 -10.319 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 86.417 77.583 15.710 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 85.842 77.985 16.362 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 87.274 77.545 16.136 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 70.134 58.552 52.718 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 70.492 58.462 51.834 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 69.232 58.238 52.644 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 39.106 6.133 58.750 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 39.189 6.512 59.624 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 39.233 5.193 58.883 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 66.500 74.498 -12.191 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 65.981 74.871 -12.903 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 67.345 74.293 -12.592 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 51.017 67.508 -18.657 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 50.770 68.224 -18.072 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 51.578 66.945 -18.124 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 22.913 73.435 -4.582 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 22.873 72.642 -4.047 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 23.748 73.369 -5.046 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 44.397 89.540 -1.481 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 44.870 90.363 -1.359 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 44.041 89.337 -0.615 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 27.868 0.350 49.656 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 26.964 0.428 49.961 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 27.872 0.782 48.801 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 47.558 65.161 -4.715 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 46.622 65.204 -4.519 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 47.854 64.350 -4.302 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 34.065 84.388 38.426 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 34.131 84.943 37.648 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 33.924 83.506 38.080 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 31.157 43.210 -3.014 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 31.742 43.754 -2.487 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 30.277 43.461 -2.731 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 42.670 82.155 7.646 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 43.260 81.692 8.241 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 43.235 82.768 7.175 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 85.999 77.638 58.198 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 86.133 78.396 58.767 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 85.071 77.425 58.295 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 68.341 17.767 62.800 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 68.403 17.273 63.618 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 68.213 17.099 62.126 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 86.799 11.458 -18.709 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 86.033 10.977 -19.022 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 87.173 11.852 -19.498 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 45.016 76.583 11.403 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 44.594 75.725 11.443 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 45.172 76.730 10.471 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 37.544 12.318 15.823 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 37.165 13.103 15.428 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 38.483 12.498 15.862 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 70.886 23.428 43.469 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 71.509 23.053 44.091 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 71.137 23.057 42.623 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 65.790 60.616 -0.426 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 66.299 59.994 0.094 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 65.010 60.126 -0.688 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 75.423 70.648 -15.453 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 75.149 70.082 -16.174 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 76.167 70.192 -15.059 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 23.268 6.174 55.592 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 23.254 5.350 56.079 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 22.768 5.992 54.796 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 72.301 81.151 45.280 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 71.993 82.019 45.540 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 73.010 80.954 45.892 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 25.366 48.821 50.643 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 24.509 48.401 50.718 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 25.231 49.533 50.018 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 80.632 85.918 -12.770 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 80.361 85.051 -13.075 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 79.890 86.233 -12.255 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 27.343 50.235 51.826 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 27.958 49.523 52.000 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 26.624 49.821 51.349 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 82.680 38.879 17.163 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 82.603 39.698 17.654 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 82.001 38.314 17.531 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 61.547 77.715 51.576 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 61.051 78.533 51.556 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 60.953 77.065 51.202 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 50.250 64.831 8.197 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 50.170 65.487 8.889 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 51.109 64.434 8.341 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 83.449 14.667 65.836 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 84.190 14.812 66.425 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 83.680 13.876 65.350 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 71.104 6.727 41.670 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 70.244 7.015 41.974 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 71.445 6.191 42.386 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 59.293 82.966 51.375 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 59.149 82.111 51.781 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 59.942 82.800 50.691 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 82.179 94.563 42.357 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 82.185 94.950 41.481 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 81.312 94.771 42.705 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 59.041 50.144 4.230 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 59.073 50.015 5.178 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 59.957 50.241 3.970 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 39.413 81.196 63.051 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 38.697 81.018 62.442 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 39.836 80.347 63.180 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 79.375 39.723 26.448 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 78.591 39.723 25.898 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 80.099 39.598 25.834 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 33.922 37.939 26.594 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 33.309 37.246 26.350 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 34.546 37.973 25.868 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 43.764 12.579 54.346 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 43.210 13.061 54.961 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 44.643 12.635 54.720 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 69.703 90.744 34.349 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 68.778 90.580 34.530 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 70.063 89.882 34.141 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 87.314 67.221 5.245 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 87.443 67.074 6.182 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 86.397 66.992 5.090 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 32.678 16.622 -7.566 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 32.826 16.508 -8.504 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 32.835 17.554 -7.410 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 28.104 53.031 -7.325 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 28.838 52.974 -6.712 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 27.483 53.624 -6.902 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 88.340 80.506 25.505 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 88.312 79.602 25.820 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 88.157 80.439 24.568 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 65.906 49.907 9.148 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 65.170 50.519 9.137 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 65.625 49.206 9.737 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 20.574 58.128 1.089 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 21.502 58.110 1.325 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 20.501 58.844 0.458 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 63.540 19.110 64.654 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 62.851 18.950 65.299 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 64.092 19.782 65.054 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 81.077 47.336 39.033 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 81.299 46.648 39.661 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 80.122 47.312 38.979 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 42.138 56.415 1.740 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 42.928 56.009 2.096 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 42.022 57.210 2.259 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 32.762 43.507 7.466 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 33.444 42.840 7.380 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 32.173 43.163 8.136 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 43.323 53.677 57.979 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 43.106 54.362 58.611 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 44.154 53.318 58.290 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 24.180 63.234 2.473 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 25.076 63.211 2.809 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 24.127 62.485 1.880 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 55.119 21.572 42.653 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 54.828 22.286 43.220 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 55.861 21.936 42.170 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 58.379 26.472 2.311 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 59.263 26.524 1.947 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 57.831 26.935 1.677 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 38.201 40.247 42.270 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 37.547 40.472 41.607 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 38.723 41.043 42.371 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 23.545 25.365 -11.568 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 23.849 25.001 -10.737 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 24.315 25.340 -12.137 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 88.263 52.388 40.749 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 89.175 52.187 40.960 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 87.815 52.385 41.594 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 57.672 51.417 55.260 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 57.455 51.650 54.357 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 57.755 52.257 55.711 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 45.601 41.270 0.404 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 46.475 41.652 0.326 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 45.414 41.287 1.342 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 68.340 36.571 41.682 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 67.598 36.682 41.087 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 68.969 37.238 41.408 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 54.766 42.454 -5.882 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 55.199 43.067 -5.288 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 53.849 42.728 -5.885 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 38.445 30.889 25.350 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 38.361 31.665 24.795 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 37.592 30.803 25.774 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 50.425 14.261 20.556 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 50.495 15.213 20.478 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 50.067 14.118 21.433 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 85.482 77.686 46.519 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 85.425 77.688 45.564 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 84.622 77.384 46.810 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 49.737 45.418 61.962 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 49.914 45.088 61.081 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 49.316 46.266 61.821 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 49.593 76.477 -16.550 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 48.642 76.586 -16.544 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 49.832 76.399 -15.627 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 25.607 73.327 52.753 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 25.929 73.463 51.862 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 26.338 73.586 53.314 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 74.452 73.242 61.950 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 74.276 73.908 62.615 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 75.107 72.670 62.351 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 66.325 76.329 33.112 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 65.522 76.415 32.598 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 66.139 75.623 33.731 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 44.846 75.314 25.658 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 44.257 74.935 25.006 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 45.697 74.918 25.471 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 50.089 55.291 64.221 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 50.061 54.993 65.130 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 50.745 54.732 63.804 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 66.352 8.515 65.490 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 65.716 8.162 66.112 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 66.910 7.769 65.269 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 24.863 16.038 9.329 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 24.400 15.238 9.577 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 25.762 15.896 9.624 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 36.629 76.214 -0.177 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 36.945 77.087 0.058 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 36.763 75.690 0.612 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 26.681 73.405 66.614 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 25.897 73.769 66.203 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 26.399 72.558 66.960 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 35.904 38.403 39.816 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 35.036 38.568 40.184 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 35.736 37.904 39.017 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 28.808 95.155 26.644 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 28.191 94.434 26.769 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 29.533 94.955 27.235 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 26.619 63.162 50.717 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 26.114 62.358 50.594 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 27.487 62.956 50.371 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 55.295 83.508 4.298 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 55.324 83.436 5.252 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 54.364 83.589 4.092 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 84.029 67.507 24.015 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 83.226 67.213 24.446 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 84.222 66.821 23.376 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 85.810 54.347 -17.531 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 85.996 53.415 -17.644 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 84.873 54.383 -17.339 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 87.885 64.795 -2.570 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 87.907 64.077 -1.938 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 88.264 64.425 -3.367 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 40.250 87.578 21.224 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 39.662 87.110 21.817 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 39.784 87.595 20.388 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 88.852 8.590 3.451 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 89.506 8.548 2.752 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 89.192 9.248 4.058 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 63.613 21.068 43.060 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 64.548 20.985 42.871 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 63.180 20.650 42.316 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 50.098 6.732 -12.924 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 49.219 7.027 -13.159 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 50.662 7.481 -13.114 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 40.603 51.076 -0.122 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 39.815 51.571 0.101 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 40.349 50.159 -0.015 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 84.183 33.348 46.152 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 85.091 33.279 46.447 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 84.248 33.507 45.210 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 29.219 81.289 2.627 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 29.273 80.913 3.505 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 28.763 80.626 2.109 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 72.246 69.883 24.191 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 72.166 70.757 23.807 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 71.563 69.369 23.761 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 31.829 52.279 -13.857 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 31.999 53.013 -14.448 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 32.697 51.949 -13.627 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 57.069 89.221 60.138 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 57.057 88.832 61.012 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 57.999 89.297 59.923 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 54.954 1.406 49.816 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 54.834 2.290 50.165 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 54.890 0.835 50.581 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 87.859 6.034 40.490 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 88.627 5.494 40.679 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 87.149 5.405 40.361 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 27.246 76.674 60.637 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 27.249 76.933 61.559 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 26.876 77.427 60.177 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 66.249 26.395 66.949 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 66.309 26.653 67.868 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 65.391 26.713 66.666 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 60.497 74.799 17.512 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 60.456 74.092 16.867 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 60.392 74.359 18.356 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 60.953 85.101 60.519 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 60.408 84.315 60.536 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 60.834 85.494 61.384 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 69.923 42.033 40.829 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 69.255 42.685 40.619 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 69.708 41.281 40.277 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 87.058 91.575 19.352 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 86.806 91.024 18.611 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 87.384 92.381 18.951 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 88.190 8.650 44.535 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 88.492 8.333 43.684 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 87.237 8.568 44.498 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 73.787 36.009 12.025 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 73.861 36.943 12.217 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 73.032 35.717 12.535 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 81.250 90.152 -6.196 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 80.297 90.072 -6.155 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 81.497 89.686 -6.995 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 62.260 37.049 23.381 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 61.734 36.814 24.145 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 61.619 37.238 22.696 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 43.690 73.443 33.390 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 44.512 72.966 33.269 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 43.942 74.241 33.855 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 71.843 73.323 42.187 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 71.764 74.231 42.478 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 72.053 72.834 42.983 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 50.171 95.348 -1.366 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 49.733 95.384 -0.516 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 51.100 95.451 -1.161 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 27.112 60.756 45.790 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 27.695 60.809 45.032 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 26.759 59.867 45.759 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 36.925 91.241 51.527 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 37.594 91.773 51.957 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 36.146 91.797 51.519 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 35.757 75.777 44.470 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 36.538 75.625 43.937 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 35.219 74.997 44.333 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 29.531 20.481 51.950 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 30.007 19.720 52.284 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 29.994 20.718 51.146 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 88.611 61.312 41.713 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 89.489 61.466 41.364 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 88.036 61.837 41.157 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 49.839 88.313 -0.242 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 50.576 88.651 0.267 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 50.241 87.730 -0.886 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 30.482 79.356 28.235 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 29.752 79.641 27.686 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 31.036 80.132 28.321 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 78.664 74.936 52.850 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 78.789 75.349 51.996 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 78.803 75.642 53.481 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 40.271 47.218 41.613 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 41.101 47.570 41.935 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 39.643 47.929 41.738 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 21.734 37.234 41.246 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 22.588 36.969 41.588 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 21.474 37.972 41.797 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 44.527 72.268 55.641 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 44.097 72.070 54.810 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 44.548 73.224 55.679 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 37.229 67.519 15.678 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 37.219 67.125 16.550 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 38.021 67.173 15.267 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 31.103 66.667 39.219 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 31.436 67.043 38.404 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 31.479 67.216 39.908 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 40.681 4.067 -1.434 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 41.410 4.319 -2.000 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 40.692 4.712 -0.727 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 84.574 55.072 7.711 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 84.522 54.457 8.443 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 85.382 55.562 7.867 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 24.828 66.472 45.402 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 25.462 65.756 45.353 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 25.309 67.190 45.815 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 33.574 61.000 56.672 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 34.304 61.618 56.691 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 33.415 60.844 55.740 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 52.243 55.069 48.850 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 51.716 55.825 49.111 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 52.091 54.985 47.908 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 85.786 53.345 56.961 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 85.313 52.660 57.434 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 86.645 52.962 56.781 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 22.988 44.174 59.404 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 22.607 44.640 60.148 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 22.246 44.003 58.823 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 21.662 16.960 63.261 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 21.105 17.731 63.365 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 21.171 16.251 63.676 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 40.517 6.128 -14.279 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 40.723 6.809 -14.919 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 41.210 6.199 -13.622 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 36.567 73.028 21.902 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 37.364 72.525 22.072 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 36.010 72.433 21.401 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 83.519 56.335 -4.330 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 83.154 55.787 -5.025 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 84.030 55.730 -3.792 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 31.991 68.382 45.449 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 31.112 68.598 45.139 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 32.556 68.531 44.691 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 80.360 68.331 58.370 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 80.996 68.546 57.688 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 80.845 67.781 58.986 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 21.396 66.083 36.330 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 20.465 66.058 36.106 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 21.845 66.126 35.486 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 50.715 71.287 8.356 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 51.215 72.070 8.586 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 50.617 70.814 9.182 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 49.210 16.057 -18.786 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 49.031 16.469 -19.632 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 50.151 15.878 -18.802 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 44.444 9.667 45.916 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 44.654 10.454 45.414 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 43.823 9.190 45.365 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 48.991 72.681 3.698 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 48.663 72.679 2.799 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 49.562 71.914 3.747 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 25.597 6.215 -8.803 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 25.776 6.663 -9.630 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 25.178 6.880 -8.257 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 41.599 81.031 65.421 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 42.101 81.606 64.844 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 42.022 81.120 66.276 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 86.159 58.240 44.684 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 86.163 57.786 45.527 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 87.031 58.628 44.617 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 44.575 28.051 -9.752 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 45.044 27.500 -9.124 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 43.679 27.715 -9.743 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 59.669 58.296 33.319 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 59.780 58.360 32.370 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 58.730 58.164 33.442 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 87.546 54.973 63.740 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 87.612 54.030 63.591 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 86.625 55.177 63.578 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 77.934 31.569 -0.550 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 77.303 32.107 -1.029 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 77.942 31.938 0.333 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 83.673 68.093 -3.610 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 83.092 68.166 -4.367 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 83.262 67.430 -3.055 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 80.137 85.969 4.125 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 80.367 86.884 3.962 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 80.215 85.867 5.074 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 88.648 2.044 7.580 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 87.955 1.753 8.173 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 88.320 2.865 7.212 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 39.323 43.103 -9.287 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 39.292 42.950 -8.343 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 39.075 44.022 -9.390 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 89.271 48.585 8.620 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 89.620 47.801 8.195 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 89.764 48.654 9.438 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 74.850 27.466 58.154 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 74.990 27.434 59.100 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 73.974 27.102 58.029 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 59.147 91.653 -9.852 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 58.221 91.606 -9.615 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 59.387 92.568 -9.706 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 69.759 80.672 63.486 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 69.377 79.931 63.014 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 69.953 81.316 62.805 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 23.904 87.544 0.781 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 24.775 87.909 0.625 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 23.777 87.622 1.727 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 76.528 84.968 -3.954 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 76.292 84.640 -4.821 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 76.715 84.181 -3.442 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 57.082 83.406 -8.832 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 56.757 82.506 -8.849 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 58.028 83.322 -8.948 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 50.254 87.202 56.807 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 50.380 87.419 55.883 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 49.788 86.365 56.794 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 35.571 16.862 29.902 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 35.027 17.100 29.151 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 36.418 17.270 29.724 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 30.149 76.257 64.727 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 29.805 75.419 64.415 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 30.616 76.039 65.534 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 85.242 32.771 58.842 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 84.661 33.131 59.511 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 86.115 33.074 59.094 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 31.933 73.793 -6.387 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 32.154 72.911 -6.685 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 32.190 74.363 -7.112 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 28.836 86.021 18.809 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 28.849 85.313 19.454 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 29.722 86.031 18.446 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 37.284 60.290 57.635 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 37.021 59.698 58.340 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 38.010 59.840 57.202 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 58.448 7.968 40.962 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 58.197 8.481 40.195 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 57.626 7.593 41.280 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 46.432 33.379 -4.254 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 45.878 33.668 -3.529 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 47.292 33.753 -4.062 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 78.497 79.887 61.604 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 77.757 79.685 61.031 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 78.273 80.732 61.995 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 73.285 39.103 -13.486 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 73.911 38.380 -13.514 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 73.776 39.859 -13.808 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 40.645 61.706 0.669 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 39.949 62.360 0.726 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 40.561 61.196 1.475 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 85.674 28.827 28.409 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 86.458 28.667 27.884 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 85.861 29.641 28.878 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 52.860 52.698 46.019 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 52.509 53.507 46.391 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 52.756 52.804 45.073 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 24.411 76.596 36.599 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 25.083 76.465 37.268 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 24.901 76.678 35.780 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 75.942 79.922 29.419 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 76.106 78.990 29.564 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 75.038 80.054 29.704 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 74.720 71.151 58.706 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 75.133 70.561 59.336 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 74.387 70.574 58.019 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 70.948 80.700 48.456 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 70.670 80.397 47.592 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 71.852 80.988 48.330 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 53.518 90.070 49.550 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 54.084 89.298 49.557 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 53.252 90.164 48.635 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 27.883 66.063 0.886 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 28.405 65.433 1.383 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 28.398 66.230 0.097 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 71.113 29.959 43.018 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 71.147 30.900 42.846 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 70.692 29.588 42.242 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 63.173 6.203 5.569 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 63.071 7.023 6.052 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 64.090 6.199 5.294 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 30.882 43.436 -11.747 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 31.101 43.782 -12.613 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 31.647 42.919 -11.495 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 48.682 50.651 49.930 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 48.899 51.574 49.802 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 49.521 50.195 49.856 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 60.647 34.909 35.116 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 59.848 34.450 35.375 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 60.931 34.466 34.317 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 47.371 61.950 1.342 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 48.241 61.569 1.455 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 47.231 62.469 2.134 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 57.483 53.033 35.595 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 56.671 53.529 35.703 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 57.988 53.535 34.955 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 73.359 60.022 50.049 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 73.934 60.627 50.518 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 73.132 60.483 49.242 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 61.329 1.853 46.241 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 62.035 1.250 46.009 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 61.444 2.007 47.179 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 39.751 81.361 48.769 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 38.884 81.741 48.907 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 39.581 80.438 48.578 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 73.808 41.064 -15.571 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 73.924 41.941 -15.937 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 74.623 40.607 -15.782 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 44.188 83.158 -3.410 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 44.209 82.203 -3.467 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 44.487 83.352 -2.521 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 53.668 94.973 -11.041 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 54.619 95.080 -11.070 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 53.332 95.648 -11.629 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 60.461 81.345 32.705 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 60.297 80.420 32.890 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 61.077 81.620 33.384 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 41.934 18.793 -18.516 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 41.597 18.981 -19.392 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 41.170 18.868 -17.944 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 76.505 25.936 -11.889 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 76.805 25.030 -11.817 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 75.648 25.940 -11.464 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 46.393 49.411 -5.789 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 46.659 49.906 -5.013 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 47.184 49.362 -6.325 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 51.989 19.174 -17.716 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 52.033 19.500 -16.817 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 52.880 19.274 -18.051 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 75.721 63.489 4.005 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 74.992 63.553 4.623 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 75.583 62.654 3.558 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 73.143 36.119 -16.080 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 73.528 36.909 -15.703 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 73.792 35.434 -15.919 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 34.427 46.398 34.895 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 33.990 46.181 35.719 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 35.301 46.687 35.157 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 22.137 91.306 44.297 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 21.712 90.909 43.537 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 22.523 90.568 44.769 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 87.861 80.858 35.529 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 87.701 80.604 34.621 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 88.649 80.375 35.779 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 69.612 32.912 54.102 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 69.681 33.647 53.492 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 70.461 32.888 54.545 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 28.661 61.226 52.799 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 29.303 61.097 52.101 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 28.192 62.023 52.550 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 43.042 21.872 31.483 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 42.814 22.796 31.376 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 43.627 21.855 32.241 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 50.786 95.476 18.258 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 51.068 95.845 17.420 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 50.006 95.980 18.491 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 86.301 86.529 20.070 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 86.957 86.700 19.394 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 85.601 86.063 19.614 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 57.518 45.700 47.625 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 57.091 46.370 48.159 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 58.306 45.468 48.117 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 43.518 66.555 64.730 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 43.007 67.298 65.053 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 44.026 66.912 64.002 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 24.272 66.084 26.147 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 24.572 65.265 25.752 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 23.337 66.120 25.946 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 57.226 63.845 52.254 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 57.128 63.469 51.380 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 56.493 64.456 52.336 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 31.073 26.286 43.560 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 31.755 26.868 43.226 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 31.484 25.421 43.580 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 23.963 93.320 -10.430 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 24.506 92.860 -11.070 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 23.470 92.627 -9.991 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 88.216 4.581 45.431 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 88.530 5.355 45.898 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 87.881 4.005 46.118 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 64.174 79.481 -15.651 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 64.009 79.054 -14.810 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 63.430 80.071 -15.771 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 79.013 5.271 53.517 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 79.858 5.066 53.117 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 78.371 4.827 52.963 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 37.512 42.279 44.888 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 37.401 41.470 44.390 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 36.829 42.862 44.557 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 41.153 54.409 34.917 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 41.123 55.343 35.122 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 40.861 54.354 34.007 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 65.276 3.173 46.903 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 65.739 2.530 47.439 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 64.697 2.651 46.347 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 83.334 61.981 -12.133 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 83.575 62.768 -11.645 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 83.111 61.339 -11.459 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 36.763 81.165 28.530 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 36.694 80.830 29.424 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 37.689 81.065 28.307 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 72.861 79.036 -0.755 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 73.407 78.309 -0.456 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 71.973 78.791 -0.497 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 41.658 73.829 55.710 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 42.127 74.105 54.923 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 40.981 74.495 55.832 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 74.075 53.096 53.356 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 73.886 54.013 53.555 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 74.927 53.117 52.920 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 25.696 70.405 8.004 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 26.068 71.273 7.847 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 25.006 70.553 8.651 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 41.086 80.525 -1.654 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 41.059 81.354 -2.132 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 40.670 80.718 -0.814 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 46.564 81.310 -0.174 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 46.854 80.463 0.164 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 47.098 81.452 -0.955 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 23.149 75.125 50.053 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 22.877 76.006 50.312 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 23.031 75.107 49.103 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 72.729 10.940 58.067 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 73.319 10.309 58.480 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 73.187 11.777 58.137 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 86.977 91.917 48.095 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 87.437 92.443 47.441 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 86.564 91.216 47.592 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 87.730 84.707 13.307 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 87.673 85.299 14.057 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 88.465 84.129 13.513 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 65.566 14.050 -19.486 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 64.880 14.191 -20.139 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 65.925 14.922 -19.323 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 69.487 64.278 50.121 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 69.928 63.433 50.036 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 68.722 64.208 49.550 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 51.518 3.011 53.942 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 51.078 3.208 54.769 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 52.005 3.808 53.733 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 77.625 92.524 9.012 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 78.023 92.198 8.204 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 77.713 91.799 9.632 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 67.660 57.868 52.320 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 67.168 58.190 51.565 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 67.946 56.991 52.063 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 71.626 22.966 22.146 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 70.829 22.529 21.847 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 72.056 23.258 21.342 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 63.545 15.855 0.215 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 62.626 15.626 0.075 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 63.993 15.538 -0.569 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 83.028 67.115 8.855 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 82.098 66.902 8.930 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 83.382 66.443 8.273 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 59.354 13.102 -15.656 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 59.372 12.263 -15.196 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 59.962 12.988 -16.386 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 59.673 9.524 23.070 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 60.496 9.076 23.267 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 59.922 10.228 22.470 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 24.412 59.481 -7.531 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 23.842 59.935 -6.910 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 25.220 59.322 -7.043 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 79.132 67.551 45.788 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 79.289 68.105 45.023 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 79.626 66.751 45.610 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 22.559 6.525 2.959 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 22.429 7.468 3.060 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 21.852 6.129 3.468 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 79.463 75.029 15.471 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 78.845 75.695 15.770 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 79.702 74.549 16.264 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 54.625 72.073 55.598 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 54.925 72.979 55.527 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 53.680 72.121 55.454 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 77.640 44.035 58.200 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 77.296 43.304 57.688 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 76.977 44.191 58.872 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 88.447 93.915 18.158 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 88.447 94.707 17.621 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 88.999 94.135 18.909 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 58.913 82.958 -16.407 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 58.740 82.974 -17.349 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 58.054 82.818 -16.009 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 38.592 51.339 -15.829 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 38.675 52.293 -15.817 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 39.196 51.054 -16.515 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 60.417 95.544 27.673 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 61.011 94.907 27.274 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 60.166 96.122 26.952 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 83.168 72.069 39.870 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 82.801 71.600 39.120 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 84.080 71.782 39.909 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 71.224 76.144 7.761 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 70.663 76.917 7.814 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 71.624 76.077 8.628 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 38.997 30.738 57.158 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 38.278 31.249 57.529 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 39.112 31.089 56.275 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 71.810 11.133 49.764 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 72.026 11.787 49.099 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 71.329 11.620 50.432 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 83.164 1.036 61.422 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 82.294 1.353 61.181 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 83.396 1.542 62.201 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 41.929 51.965 59.833 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 42.354 52.682 59.362 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 40.995 52.082 59.657 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 84.118 89.988 2.988 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 83.742 89.463 2.282 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 84.146 89.396 3.740 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 72.746 88.055 30.853 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 73.039 87.180 30.598 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 71.922 87.908 31.317 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 39.680 52.754 43.801 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 40.480 52.351 43.464 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 39.913 53.672 43.938 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 69.615 70.890 56.393 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 69.821 71.611 56.988 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 68.688 70.708 56.548 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 89.505 50.766 17.225 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 89.319 50.270 16.428 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 89.684 51.655 16.918 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 80.789 86.934 -17.351 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 81.467 87.516 -17.008 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 81.155 86.055 -17.252 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 39.501 23.227 26.113 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 39.460 23.398 25.172 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 40.306 22.723 26.230 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 39.595 79.800 26.355 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 39.986 78.935 26.480 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 39.438 80.122 27.243 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 78.975 62.325 41.626 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 79.433 62.548 40.816 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 78.330 61.668 41.364 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 67.786 87.991 -9.024 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 68.515 88.216 -9.602 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 67.014 88.354 -9.459 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 84.956 51.276 51.750 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 84.548 52.141 51.788 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 84.716 50.861 52.578 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 62.990 60.765 66.624 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 63.599 61.255 66.071 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 62.139 61.174 66.466 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 24.946 48.169 -5.302 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 24.214 48.666 -5.668 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 24.753 48.111 -4.367 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 68.903 74.946 -13.882 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 69.398 75.215 -13.107 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 69.478 74.325 -14.330 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 28.897 47.090 43.084 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 28.771 46.776 43.979 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 29.443 46.421 42.670 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 49.198 96.230 8.678 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 49.986 96.754 8.820 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 48.775 96.196 9.536 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 21.696 82.949 1.932 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 22.615 83.211 1.982 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 21.689 82.217 1.316 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 49.337 79.106 50.777 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 50.148 79.308 51.244 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 49.211 79.846 50.184 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 61.958 92.603 36.058 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 61.565 93.465 35.923 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 61.332 92.137 36.611 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 86.631 74.639 27.524 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 86.544 74.399 26.601 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 87.354 74.100 27.845 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 38.666 5.161 9.024 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 38.390 4.557 9.714 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 39.410 5.631 9.401 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 54.903 28.193 65.459 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 55.366 28.058 64.632 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 53.981 28.258 65.209 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 57.893 76.727 33.088 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 57.315 76.643 32.329 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 58.285 75.859 33.188 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 39.462 59.295 56.073 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 39.224 60.008 55.480 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 40.030 58.728 55.551 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 59.582 0.082 -7.847 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 60.404 0.025 -7.360 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 58.964 0.473 -7.230 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 30.852 40.011 -12.151 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 30.565 40.068 -13.063 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 31.276 40.852 -11.981 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 34.075 96.244 48.549 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 34.992 96.491 48.674 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 33.601 97.075 48.543 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 59.685 1.564 41.663 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 59.440 2.488 41.686 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 60.641 1.568 41.710 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 75.012 27.063 31.425 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 75.873 26.658 31.534 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 75.201 27.984 31.246 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 54.671 34.462 52.412 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 54.565 35.404 52.539 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 54.684 34.347 51.462 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 79.061 56.913 55.748 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 78.863 56.100 55.283 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 79.691 56.657 56.421 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 75.602 52.884 32.429 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 75.924 53.635 32.928 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 75.671 53.156 31.514 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 88.237 3.075 66.090 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 88.489 3.010 65.169 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 88.195 4.015 66.262 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 45.639 42.099 9.682 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 46.063 41.243 9.631 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 45.698 42.342 10.605 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 77.612 94.569 17.030 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 76.693 94.828 16.963 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 77.641 93.687 16.660 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 60.766 19.353 20.641 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 59.908 19.153 21.015 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 61.055 18.529 20.249 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 58.899 25.725 37.327 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 58.919 25.573 36.382 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 59.809 25.906 37.560 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 69.738 62.301 2.626 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 70.180 62.690 3.380 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 69.461 63.049 2.097 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 77.329 5.864 60.459 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 77.595 6.702 60.083 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 76.390 5.807 60.280 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 84.390 63.883 -6.918 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 83.703 64.469 -6.601 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 85.183 64.419 -6.916 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 59.192 79.735 51.272 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 58.237 79.770 51.339 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 59.368 79.765 50.331 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 59.371 62.625 43.517 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 58.610 62.677 42.940 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 59.004 62.450 44.384 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 46.838 43.013 -8.925 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 46.967 42.083 -9.110 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 47.723 43.377 -8.896 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 39.767 92.518 0.759 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 39.463 91.827 0.170 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 39.080 92.590 1.421 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 42.785 39.738 33.332 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 43.673 39.428 33.508 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 42.632 39.518 32.413 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 90.453 19.634 -18.035 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 89.909 20.101 -17.401 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 90.660 20.288 -18.702 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 60.583 2.030 26.467 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 61.529 2.142 26.559 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 60.486 1.327 25.824 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 20.516 34.977 58.066 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 20.939 34.785 58.903 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 19.856 35.637 58.277 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 67.944 78.356 44.966 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 68.491 77.615 44.705 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 67.791 78.840 44.155 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 60.452 4.416 51.368 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 60.553 4.633 50.441 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 60.265 3.478 51.376 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 64.140 1.934 -4.016 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 64.942 1.425 -4.135 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 63.443 1.279 -3.976 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 62.806 20.872 -3.553 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 63.529 20.901 -4.179 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 63.170 20.428 -2.787 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 76.955 6.814 5.599 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 76.842 6.067 5.011 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 76.064 7.098 5.801 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 59.500 75.591 67.103 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 58.715 75.402 67.617 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 59.188 75.644 66.199 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 36.299 60.873 15.891 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 36.792 60.796 15.075 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 36.960 61.072 16.554 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 82.200 55.502 -6.535 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 82.221 54.770 -7.152 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 82.161 56.281 -7.090 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 81.382 59.326 48.098 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 82.257 59.276 47.713 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 80.926 59.986 47.576 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 23.932 60.760 44.865 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 24.442 61.570 44.865 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 24.569 60.075 44.661 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 40.425 52.333 39.318 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 41.131 52.718 38.798 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 39.637 52.472 38.793 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 43.114 3.980 62.482 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 43.604 3.158 62.502 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 43.284 4.340 61.611 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 47.237 79.578 -3.342 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 47.932 79.986 -3.858 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 47.698 79.106 -2.649 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 31.613 43.472 28.668 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 32.568 43.502 28.718 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 31.373 44.252 28.168 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 28.130 31.576 -17.365 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 28.971 31.974 -17.141 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 27.660 32.261 -17.841 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 41.588 67.805 36.065 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 42.027 68.372 35.431 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 42.263 67.603 36.713 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 74.720 23.390 56.996 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 74.850 23.732 57.880 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 74.603 24.169 56.452 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 29.997 77.964 -5.381 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 30.193 77.088 -5.047 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 30.394 77.983 -6.252 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 48.163 15.505 47.656 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 48.218 16.455 47.762 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 47.225 15.316 47.672 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 30.238 18.981 -12.336 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 30.720 18.804 -11.529 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 29.583 18.285 -12.382 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 39.453 62.110 55.604 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 39.572 62.878 56.162 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 39.138 62.463 54.772 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 72.701 45.555 -7.158 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 72.874 45.514 -6.218 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 72.343 44.694 -7.374 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 21.367 1.015 -15.977 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 22.323 0.966 -15.971 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 21.136 1.294 -15.091 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 67.815 80.176 42.650 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 68.079 80.110 41.732 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 66.863 80.267 42.620 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 34.238 72.286 48.160 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 34.837 73.004 48.362 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 34.761 71.494 48.287 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 50.680 8.569 27.985 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 50.062 7.849 27.862 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 50.135 9.311 28.246 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 49.498 68.379 -2.627 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 49.484 67.839 -1.837 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 49.076 69.198 -2.366 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 36.398 61.441 19.499 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 37.213 61.169 19.077 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 36.222 62.311 19.142 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 52.758 37.702 2.289 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 53.349 38.450 2.377 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 52.622 37.396 3.185 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 25.650 87.279 37.183 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 25.915 86.484 36.722 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 25.471 87.912 36.488 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 87.798 86.035 39.196 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 86.974 86.523 39.177 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 87.782 85.507 38.397 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 77.221 67.634 12.691 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 77.297 68.472 12.234 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 76.880 67.862 13.555 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 26.575 24.858 19.777 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 25.855 24.347 20.147 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 26.554 25.685 20.259 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 52.824 74.604 -12.578 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 53.485 74.196 -13.138 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 52.408 73.871 -12.124 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 40.294 27.375 62.317 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 39.574 26.982 61.824 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 40.398 26.810 63.082 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 55.049 89.568 -10.083 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 55.474 89.106 -10.806 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 54.737 88.873 -9.505 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 62.565 2.617 4.034 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 61.844 2.003 3.895 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 62.331 3.085 4.836 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 27.757 92.741 27.061 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 27.774 92.042 26.407 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 26.893 92.669 27.467 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 86.532 58.255 12.451 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 86.016 57.728 11.841 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 86.523 59.135 12.075 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 22.399 54.694 -10.576 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 22.441 55.650 -10.613 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 21.660 54.509 -9.997 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 29.379 69.143 54.659 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 29.754 68.278 54.497 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 29.016 69.085 55.543 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 86.312 80.624 15.766 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 86.669 79.785 16.058 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 87.055 81.074 15.364 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 26.331 60.739 17.683 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 25.815 59.937 17.761 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 27.181 60.515 18.062 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 90.081 59.007 13.401 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 89.961 59.522 14.199 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 90.592 59.575 12.824 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 86.284 82.166 30.417 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 85.401 82.161 30.047 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 86.823 81.732 29.756 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 90.272 60.018 51.602 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 89.951 60.380 52.428 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 90.270 60.759 50.997 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 84.621 90.763 11.889 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 84.072 91.357 11.377 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 84.067 90.494 12.622 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 28.286 11.379 60.583 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 28.609 12.259 60.389 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 27.338 11.484 60.666 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 28.163 66.330 -18.979 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 28.291 65.759 -19.737 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 27.542 65.858 -18.425 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 70.279 88.120 41.634 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 69.988 88.545 40.827 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 70.199 87.183 41.454 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 62.875 84.887 58.383 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 62.399 85.242 59.133 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 63.535 85.550 58.181 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 59.908 26.906 61.457 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 60.302 27.687 61.069 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 59.038 27.190 61.738 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 73.058 92.687 27.862 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 72.952 91.924 28.430 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 72.656 92.427 27.033 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 58.338 8.060 49.426 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 58.762 7.405 48.871 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 59.056 8.607 49.744 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 90.729 70.529 -5.429 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 90.355 69.648 -5.399 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 90.827 70.780 -4.511 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 77.447 84.557 59.876 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 76.733 85.003 60.331 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 77.141 83.656 59.774 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 71.352 68.690 62.124 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 71.913 69.196 61.536 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 70.477 68.765 61.745 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 90.333 42.018 -18.822 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 91.145 41.787 -18.370 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 89.712 42.209 -18.119 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 51.143 55.092 -2.717 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 50.300 54.668 -2.558 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 51.624 54.985 -1.896 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 63.258 5.262 12.143 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 62.302 5.236 12.171 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 63.504 4.490 11.633 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 38.823 30.286 2.721 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 38.372 29.447 2.811 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 39.753 30.063 2.750 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 76.860 80.995 11.506 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 76.751 81.104 12.450 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 77.799 81.105 11.358 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 90.329 25.132 30.393 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 91.229 24.809 30.370 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 89.790 24.341 30.425 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 60.880 88.558 36.718 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 60.751 88.145 35.865 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 60.727 87.856 37.351 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 26.315 14.741 60.775 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 26.420 14.044 60.127 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 26.007 15.494 60.269 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 73.813 71.875 33.963 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 73.868 72.450 33.199 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 73.621 71.011 33.599 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 86.135 14.619 -3.411 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 85.804 15.003 -2.599 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 87.077 14.790 -3.391 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 51.514 27.659 -10.390 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 51.081 28.512 -10.371 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 51.395 27.310 -9.507 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 26.667 48.585 56.335 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 25.850 48.802 56.785 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 27.300 49.222 56.668 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 67.631 52.321 -19.436 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 66.757 52.433 -19.062 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 67.688 52.990 -20.118 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 27.280 0.259 62.493 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 27.192 0.950 63.149 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 26.393 -0.087 62.388 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 63.259 89.065 58.042 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 62.597 89.344 57.410 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 63.125 88.122 58.130 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 31.789 34.732 -17.892 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 31.229 33.969 -18.038 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 32.338 34.488 -17.147 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 35.777 74.546 66.081 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 34.865 74.360 66.303 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 35.731 75.007 65.243 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 42.548 68.714 -6.510 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 42.309 68.678 -5.583 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 42.566 69.649 -6.716 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 72.418 82.079 15.487 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 73.240 82.545 15.638 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 72.483 81.762 14.587 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 61.841 92.866 55.177 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 61.471 93.727 54.981 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 62.151 92.539 54.333 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 67.694 87.308 -13.566 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 66.865 87.480 -13.120 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 67.608 86.413 -13.896 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 51.084 55.223 -18.151 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 50.560 54.787 -18.824 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 50.926 56.157 -18.293 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 54.374 0.459 56.124 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 53.695 -0.172 56.366 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 55.184 -0.051 56.120 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 60.555 4.678 -19.972 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 60.659 3.727 -19.945 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 60.850 4.976 -19.111 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 46.777 26.152 38.894 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 46.057 25.522 38.924 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 47.126 26.160 39.785 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 64.575 77.712 48.023 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 63.799 78.051 47.577 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 65.029 77.196 47.357 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 64.004 89.363 2.169 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 63.806 88.778 1.437 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 63.657 88.911 2.938 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 27.619 50.101 48.441 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 26.946 50.633 48.866 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 27.996 50.678 47.777 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 34.687 29.875 14.390 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 33.799 29.524 14.320 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 34.632 30.747 14.000 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 33.310 54.797 47.986 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 33.286 55.326 48.783 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 34.134 55.038 47.563 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 25.925 36.123 -16.711 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 26.151 35.614 -17.489 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 26.024 35.508 -15.984 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 47.409 16.729 63.018 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 47.696 17.052 62.163 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 48.080 16.097 63.273 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 32.862 16.824 22.259 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 33.326 16.567 21.462 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 32.309 17.557 21.989 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 45.484 65.042 65.701 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 46.108 65.755 65.834 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 44.735 65.456 65.271 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 65.954 5.156 51.692 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 66.754 4.650 51.832 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 66.240 6.069 51.716 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 63.911 46.601 12.209 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 63.810 46.047 12.984 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 63.275 47.305 12.334 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 46.576 92.575 -19.742 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 46.681 93.431 -19.327 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 45.760 92.647 -20.237 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 84.278 49.577 56.640 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 84.487 49.888 57.520 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 83.703 48.825 56.782 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 38.181 86.435 -12.515 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 38.529 86.846 -13.306 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 38.789 86.693 -11.823 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 42.649 44.002 64.445 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 43.577 44.104 64.235 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 42.369 44.873 64.726 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 63.240 74.589 35.264 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 62.850 73.781 35.599 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 62.587 74.937 34.657 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 67.024 82.812 0.798 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 66.649 82.549 -0.043 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 67.902 83.125 0.581 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 57.686 94.638 -18.617 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 57.474 95.180 -17.857 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 56.913 94.702 -19.179 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 86.043 86.763 29.861 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 86.101 86.362 30.728 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 85.122 86.676 29.617 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 73.247 60.162 66.364 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 74.096 60.581 66.225 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 73.437 59.419 66.937 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 65.615 60.831 49.031 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 66.195 61.175 49.710 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 66.202 60.406 48.406 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 61.326 9.402 -3.835 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 62.084 9.287 -4.409 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 60.571 9.334 -4.419 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 51.095 94.706 51.811 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 51.541 93.962 51.407 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 51.713 95.029 52.467 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 82.206 74.524 61.945 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 83.095 74.880 61.975 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 82.114 74.040 62.765 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 43.189 20.457 58.205 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 43.397 21.211 57.653 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 43.991 19.935 58.211 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 64.947 56.494 47.249 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 65.796 56.937 47.275 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 64.779 56.244 48.157 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 33.280 59.799 23.523 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 33.977 60.429 23.341 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 33.531 59.398 24.356 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 46.561 86.126 30.354 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 46.199 85.353 29.920 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 46.178 86.866 29.884 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 66.202 4.448 -18.587 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 66.536 4.389 -17.692 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 65.761 5.297 -18.623 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 67.936 6.765 -13.735 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 67.279 7.456 -13.651 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 68.711 7.211 -14.075 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 83.873 50.641 31.015 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 83.746 51.566 31.225 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 84.721 50.609 30.574 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 39.342 75.153 5.817 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 40.086 74.651 5.484 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 38.785 74.502 6.244 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 82.171 74.866 -0.336 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 82.378 74.443 -1.169 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 82.012 75.782 -0.565 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 77.265 1.511 11.680 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 76.575 0.964 11.305 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 77.665 0.964 12.355 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 70.499 32.927 0.378 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 70.157 33.534 -0.278 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 70.802 32.172 -0.128 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 54.563 49.627 -10.464 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 54.241 48.917 -9.909 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 55.099 49.190 -11.126 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 57.454 88.833 47.402 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 57.508 89.571 48.009 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 57.719 89.197 46.558 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 37.501 12.840 -7.974 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 36.564 13.016 -8.059 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 37.618 12.597 -7.056 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 36.653 88.634 44.577 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 36.493 89.561 44.754 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 35.855 88.193 44.868 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 68.554 19.920 4.261 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 69.448 19.584 4.207 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 68.658 20.867 4.357 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 37.741 17.311 65.326 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 37.184 17.246 64.550 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 37.433 18.099 65.776 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 45.004 3.160 2.378 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 45.468 3.769 2.952 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 44.887 3.643 1.560 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 61.632 84.540 43.899 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 61.361 83.843 44.496 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 61.789 85.295 44.467 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 50.818 84.946 65.429 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 50.209 84.995 66.166 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 51.684 85.034 65.827 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 77.333 89.582 45.190 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 76.852 88.957 44.646 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 76.663 90.189 45.506 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 64.746 52.034 -9.159 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 64.464 52.325 -8.292 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 64.714 52.823 -9.700 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 86.994 95.465 62.920 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 86.110 95.283 63.239 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 87.262 96.253 63.392 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 34.261 12.675 32.813 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 33.306 12.742 32.805 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 34.565 13.554 32.586 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 41.726 28.762 41.367 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 42.528 29.284 41.356 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 41.352 28.878 40.494 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 26.051 75.765 46.892 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 26.595 74.977 46.912 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 26.383 76.267 46.148 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 74.560 87.907 13.585 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 75.515 87.870 13.544 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 74.283 86.991 13.557 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 41.219 89.104 11.600 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 40.889 88.291 11.217 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 41.999 89.312 11.085 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 67.779 27.061 -1.301 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 67.712 27.902 -0.848 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 67.741 27.286 -2.231 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 42.100 88.352 -15.967 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 42.215 87.462 -15.633 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 42.392 88.307 -16.877 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 83.503 87.923 20.127 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 82.855 87.220 20.085 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 84.205 87.570 20.673 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 78.991 53.911 38.648 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 79.274 54.506 37.955 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 79.326 54.304 39.454 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 61.309 75.963 2.599 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 62.018 76.144 3.216 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 60.713 75.390 3.081 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 75.492 66.318 44.793 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 74.894 65.718 44.349 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 75.404 66.102 45.721 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 36.272 58.573 63.457 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 35.793 58.336 62.663 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 35.921 57.991 64.132 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 78.021 90.197 -17.351 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 78.734 90.694 -17.752 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 77.387 90.075 -18.057 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 26.526 1.333 19.240 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 25.812 0.858 18.817 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 26.957 0.679 19.790 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 43.735 62.943 -8.677 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 43.168 62.516 -8.035 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 44.316 63.495 -8.154 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 27.677 68.498 64.404 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 28.329 67.843 64.153 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 27.752 69.179 63.736 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 58.443 76.257 -13.238 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 59.293 76.275 -12.797 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 58.241 77.177 -13.409 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 77.191 83.323 -0.044 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 76.619 82.564 0.070 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 76.812 83.800 -0.783 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 67.002 5.271 -16.026 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 67.808 4.761 -15.939 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 67.284 6.181 -15.935 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 52.034 4.135 48.434 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 51.961 3.615 49.234 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 51.131 4.370 48.218 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 80.553 65.521 42.141 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 79.738 65.961 42.380 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 80.278 64.789 41.588 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 24.091 54.221 -4.719 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 23.140 54.336 -4.734 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 24.222 53.289 -4.893 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 42.926 70.927 -19.289 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 43.713 71.155 -18.794 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 43.210 70.920 -20.203 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 42.889 3.286 34.133 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 43.353 2.697 33.538 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 43.528 3.967 34.344 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 77.416 49.649 40.649 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 76.766 49.780 39.959 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 78.234 49.974 40.273 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 22.173 57.351 -17.774 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 21.725 58.186 -17.638 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 21.825 57.024 -18.604 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 56.907 69.945 47.183 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 57.367 70.728 47.484 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 56.168 69.854 47.785 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 62.196 49.681 32.215 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 62.208 50.626 32.365 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 61.509 49.551 31.561 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 85.114 8.163 -8.371 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 84.409 7.551 -8.162 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 84.682 8.877 -8.839 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 58.690 82.776 10.175 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 58.346 83.381 10.832 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 57.997 82.125 10.062 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 44.450 59.855 54.512 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 44.927 59.944 53.687 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 44.430 58.913 54.677 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 79.096 57.667 -19.228 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 79.070 56.979 -18.563 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 79.631 58.358 -18.837 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 31.634 84.801 -17.834 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 30.966 85.392 -18.181 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 32.004 85.270 -17.086 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 37.267 64.507 7.133 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 37.968 65.031 6.746 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 37.654 64.137 7.926 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 42.728 28.608 61.360 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 42.972 28.294 62.231 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 41.772 28.575 61.352 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 48.000 2.710 -11.164 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 47.580 2.038 -10.627 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 48.744 3.006 -10.639 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 90.786 74.394 -12.216 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 91.200 74.057 -11.422 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 90.030 73.824 -12.354 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 69.636 3.696 -19.105 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 69.487 3.111 -18.362 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 70.077 3.151 -19.756 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 27.872 9.192 59.023 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 27.860 9.880 59.690 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 27.831 9.664 58.191 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 44.992 2.149 27.974 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 44.292 2.537 27.449 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 45.010 1.230 27.707 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 22.930 32.101 32.642 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 22.376 32.034 31.865 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 23.416 31.276 32.662 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 70.533 8.635 47.773 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 71.489 8.666 47.793 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 70.260 9.180 48.511 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 57.852 7.987 -9.030 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 58.162 7.089 -9.145 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 56.917 7.897 -8.850 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 61.784 30.313 10.995 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 60.834 30.268 11.100 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 61.965 31.242 10.852 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 46.725 82.228 62.315 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 46.023 82.066 61.684 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 46.635 83.153 62.541 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 79.317 91.581 52.173 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 78.994 92.418 52.507 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 78.771 90.924 52.606 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 73.207 65.209 62.899 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 72.713 65.291 63.715 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 73.140 64.282 62.670 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 60.022 72.337 62.065 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 60.948 72.317 62.307 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 60.019 72.621 61.151 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 29.507 35.300 39.760 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 29.440 36.098 39.236 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 30.274 34.846 39.411 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 79.649 57.692 28.320 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 79.427 57.373 27.445 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 78.819 58.001 28.681 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 73.393 31.898 2.679 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 72.472 31.891 2.417 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 73.504 31.096 3.189 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 56.671 67.488 55.568 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 56.434 67.664 56.478 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 57.381 66.848 55.624 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 57.575 80.986 58.111 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 57.008 80.729 57.384 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 57.635 81.939 58.043 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 26.200 1.227 45.909 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 26.804 0.516 46.123 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 25.333 0.877 46.113 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 56.270 4.166 47.517 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 56.370 4.966 48.033 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 55.938 4.466 46.671 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 79.830 71.958 19.757 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 79.213 71.245 19.591 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 79.488 72.695 19.252 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 20.306 64.082 33.633 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 20.746 63.444 34.195 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 20.030 63.578 32.868 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 64.667 79.218 31.338 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 65.181 78.786 30.656 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 64.025 79.741 30.859 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 53.098 73.385 -3.885 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 52.877 72.467 -3.730 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 52.323 73.751 -4.311 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 38.819 91.105 -11.139 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 39.479 90.545 -10.731 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 39.165 91.992 -11.044 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 29.018 0.550 21.318 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 29.718 0.687 20.680 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 28.640 -0.297 21.082 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 47.159 24.560 -17.422 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 47.875 25.052 -17.021 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 46.371 25.051 -17.190 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 54.487 92.352 2.267 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 54.419 91.445 2.564 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 55.390 92.437 1.960 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 82.193 85.563 12.769 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 82.985 85.986 13.101 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 82.416 85.304 11.875 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 59.163 11.539 58.612 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 58.646 11.070 59.267 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 59.910 10.967 58.440 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 83.180 74.300 49.877 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 82.350 74.665 50.185 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 83.083 73.355 49.991 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 74.754 83.637 3.450 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 74.069 83.739 4.110 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 74.282 83.421 2.646 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 45.459 1.972 45.211 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 44.588 1.584 45.131 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 45.485 2.322 46.102 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 48.605 71.675 -10.268 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 48.464 71.953 -9.363 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 47.820 71.175 -10.490 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 36.545 40.614 25.080 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 37.195 39.945 24.866 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 36.839 41.394 24.609 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 45.538 59.832 3.852 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 45.800 59.264 4.576 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 46.353 60.240 3.560 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 48.105 16.564 35.520 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 47.671 15.835 35.962 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 47.521 16.787 34.795 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 88.813 19.548 58.594 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 89.645 19.700 59.041 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 88.658 20.350 58.095 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 79.235 56.634 -16.134 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 80.152 56.635 -16.411 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 79.262 56.903 -15.216 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 59.721 71.084 -7.830 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 59.686 71.494 -6.965 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 60.649 70.889 -7.965 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 61.570 8.206 33.326 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 60.996 7.562 33.741 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 61.253 9.051 33.646 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 28.798 82.661 34.513 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 28.688 82.522 35.453 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 29.291 81.897 34.214 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 62.862 75.479 44.641 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 62.290 74.989 44.050 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 63.210 76.190 44.103 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 29.842 63.796 43.288 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 30.671 63.811 42.811 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 29.204 63.473 42.652 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 60.818 75.184 54.419 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 60.294 74.425 54.161 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 60.239 75.694 54.985 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 82.902 82.275 -8.523 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 82.916 81.614 -7.831 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 83.731 82.155 -8.986 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 55.464 80.980 14.845 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 54.516 80.935 14.967 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 55.783 80.123 15.128 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 68.850 62.329 -8.243 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 68.724 61.908 -7.393 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 67.991 62.690 -8.462 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 33.001 88.910 4.959 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 32.845 87.968 5.028 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 32.497 89.290 5.679 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 55.222 0.838 25.599 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 55.428 1.711 25.934 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 56.052 0.362 25.644 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 89.132 63.722 56.897 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 89.500 64.243 57.610 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 89.892 63.447 56.384 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 47.550 68.471 -5.713 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 48.169 68.068 -5.104 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 47.140 69.173 -5.208 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 59.973 77.395 47.899 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 59.063 77.640 48.069 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 60.125 76.634 48.460 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 60.056 21.469 27.608 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 59.524 22.145 27.189 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 60.953 21.670 27.343 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 31.536 76.384 37.418 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 31.646 75.882 36.611 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 31.455 77.292 37.126 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 75.477 63.151 -10.575 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 74.931 62.599 -11.134 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 75.225 62.913 -9.683 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 81.470 12.527 49.956 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 81.650 11.694 49.521 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 80.610 12.789 49.627 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 44.468 11.780 12.192 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 43.587 11.442 12.353 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 45.037 11.232 12.732 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 75.325 70.968 -2.818 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 75.935 70.295 -2.518 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 74.743 71.115 -2.073 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 41.879 3.853 51.464 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 42.647 3.311 51.646 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 41.435 3.931 52.308 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 85.941 35.751 57.005 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 85.108 36.210 56.897 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 85.915 35.050 56.353 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 20.532 69.224 66.958 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 20.332 68.836 67.810 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 21.483 69.339 66.964 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 25.022 84.177 -15.717 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 24.228 83.674 -15.537 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 25.684 83.517 -15.922 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 87.699 91.953 59.172 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 88.461 91.389 59.308 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 86.986 91.348 58.966 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 69.495 48.575 -2.166 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 69.228 48.512 -1.249 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 68.785 49.059 -2.589 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 68.157 80.069 4.169 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 67.398 79.486 4.197 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 68.189 80.463 5.040 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 64.380 9.536 50.419 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 63.583 9.718 49.921 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 65.091 9.816 49.843 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 58.457 8.210 33.513 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 58.430 8.855 34.220 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 59.150 7.602 33.769 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 58.159 81.062 66.151 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 58.655 80.378 65.703 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 58.780 81.440 66.774 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 58.636 64.052 33.783 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 59.066 63.333 33.319 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 57.716 63.986 33.529 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 29.625 73.108 19.028 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 30.480 73.217 19.445 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 29.022 72.952 19.755 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 69.973 55.154 -18.930 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 69.750 55.772 -19.626 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 69.528 55.494 -18.154 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 27.823 90.681 47.905 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 28.747 90.441 47.982 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 27.800 91.321 47.193 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 73.149 38.594 42.305 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 72.843 39.478 42.511 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 73.141 38.554 41.349 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 60.798 68.652 -15.449 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 60.219 68.128 -14.895 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 60.802 69.518 -15.040 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 63.027 29.940 44.301 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 62.278 30.434 43.967 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 62.696 29.503 45.085 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 26.099 37.829 56.287 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 26.337 38.573 56.840 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 26.823 37.211 56.391 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 60.915 17.334 31.619 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 61.447 16.905 32.290 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 61.312 18.199 31.516 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 65.692 71.808 40.221 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 65.513 72.177 39.356 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 66.609 71.537 40.181 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 79.900 84.350 61.372 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 80.357 85.056 60.915 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 79.206 84.083 60.770 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 22.359 40.851 40.429 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 21.406 40.905 40.356 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 22.661 41.750 40.302 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 24.573 68.237 47.651 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 23.998 67.471 47.641 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 23.976 68.985 47.675 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 31.371 85.788 17.597 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 31.254 85.933 16.658 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 32.296 85.556 17.691 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 68.894 31.669 5.582 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 68.191 32.279 5.808 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 69.588 31.859 6.214 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 44.608 91.555 33.658 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 44.080 92.000 32.996 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 44.552 90.628 33.427 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 72.927 89.607 41.396 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 73.447 89.671 42.198 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 72.074 89.285 41.688 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 79.615 91.971 60.009 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 80.052 91.454 59.332 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 79.621 92.866 59.670 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 82.186 82.354 27.341 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 81.745 81.686 27.866 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 82.897 82.667 27.900 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 45.774 95.073 51.498 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 45.877 94.191 51.139 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 44.833 95.244 51.447 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 39.114 32.546 46.017 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 39.869 32.912 46.479 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 39.026 33.090 45.234 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 30.730 73.571 49.857 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 30.711 73.399 48.915 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 30.155 74.328 49.974 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 75.681 96.208 -11.649 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 75.291 96.044 -12.507 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 74.963 96.077 -11.030 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 74.955 22.536 49.191 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 74.557 22.726 48.342 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 74.534 23.147 49.796 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 23.136 69.430 67.075 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 23.755 69.792 67.709 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 23.646 69.331 66.271 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 74.507 74.894 -12.004 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 75.317 74.618 -11.575 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 74.063 74.076 -12.228 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 85.323 90.260 66.412 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 85.570 89.603 65.762 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 86.032 90.903 66.385 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 60.735 35.062 49.749 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 60.716 34.113 49.622 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 59.861 35.278 50.075 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 90.374 25.060 -8.497 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 90.768 25.919 -8.645 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 89.457 25.170 -8.750 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 53.830 88.153 44.013 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 53.000 88.626 43.959 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 53.585 87.267 44.281 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 38.083 8.724 50.079 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 38.887 8.295 49.785 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 37.983 9.474 49.494 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 46.079 84.873 -8.205 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 45.462 84.655 -7.506 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 45.537 85.261 -8.891 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 24.508 67.684 38.029 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 25.071 67.021 37.629 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 24.364 68.327 37.335 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 61.833 33.807 62.569 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 61.213 34.212 63.175 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 62.635 34.321 62.666 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 30.509 92.291 55.127 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 31.372 92.444 55.512 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 30.687 92.105 54.205 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 89.804 92.491 43.258 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 89.399 91.677 42.961 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 90.567 92.600 42.691 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 71.725 44.209 8.743 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 71.349 44.922 9.258 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 71.099 44.070 8.033 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 88.835 94.615 -10.484 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 88.741 94.997 -11.357 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 89.709 94.881 -10.199 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 46.516 79.827 48.580 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 46.033 79.520 49.347 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 46.059 80.624 48.311 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 85.819 76.239 24.666 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 85.219 76.023 23.952 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 85.250 76.537 25.376 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 44.224 25.361 -10.365 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 43.899 24.461 -10.378 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 44.394 25.568 -11.284 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 71.137 73.058 -15.016 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 71.544 72.671 -15.792 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 71.685 72.767 -14.287 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 72.387 75.274 58.678 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 72.912 74.558 58.322 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 72.429 75.958 58.010 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 67.682 5.427 66.116 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 67.651 5.165 67.036 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 67.528 4.616 65.631 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 67.531 42.721 -17.971 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 67.341 41.814 -18.209 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 66.870 42.941 -17.315 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 29.619 85.622 29.136 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 30.469 85.181 29.148 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 29.745 86.402 29.675 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 26.927 80.564 55.171 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 27.138 81.328 54.634 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 27.534 79.886 54.872 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 41.626 10.603 54.876 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 42.085 11.430 54.726 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 41.225 10.395 54.032 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 63.892 74.889 -14.075 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 63.427 74.124 -13.735 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 63.789 74.829 -15.025 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 50.072 80.659 -0.114 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 50.548 79.979 -0.590 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 49.715 80.210 0.653 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 58.724 79.012 5.359 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 59.637 78.749 5.474 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 58.349 78.965 6.239 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 30.560 57.626 11.140 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 30.924 58.354 10.636 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 29.614 57.693 11.011 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 47.751 5.342 24.878 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 47.009 5.946 24.855 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 47.679 4.841 24.065 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 73.829 25.957 -1.492 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 74.378 25.865 -2.270 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 74.337 25.551 -0.790 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 31.048 58.102 -1.779 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 31.394 58.046 -2.669 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 31.586 57.493 -1.273 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 27.368 25.791 16.778 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 27.176 25.461 17.656 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 27.019 26.683 16.775 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 49.616 31.203 64.373 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 48.896 31.678 63.960 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 50.399 31.502 63.909 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 56.753 59.216 -5.523 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 57.548 58.703 -5.379 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 56.815 59.936 -4.896 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 37.998 80.615 60.866 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 37.578 81.387 60.487 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 37.959 79.956 60.172 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 39.571 92.956 10.382 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 39.087 93.779 10.457 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 39.816 92.906 9.458 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 57.264 2.766 20.200 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 58.213 2.644 20.170 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 57.141 3.709 20.089 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 22.327 71.695 65.109 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 22.420 71.860 66.047 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 22.997 72.243 64.701 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 37.250 38.863 28.039 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 38.149 39.162 28.179 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 37.182 38.743 27.092 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 56.512 93.034 50.092 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 56.527 92.085 50.216 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 55.669 93.208 49.674 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 28.872 75.184 50.612 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 29.053 75.283 51.546 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 28.021 74.748 50.577 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 29.667 91.982 -10.848 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 29.547 91.991 -11.797 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 29.098 92.682 -10.527 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 36.663 46.504 27.978 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 37.348 46.093 27.450 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 35.859 46.052 27.723 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 77.209 73.694 -11.389 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 77.297 72.791 -11.694 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 78.104 74.034 -11.385 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 32.333 81.575 34.359 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 32.631 80.938 35.008 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 31.812 81.062 33.740 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 89.375 82.913 42.288 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 89.623 83.671 42.817 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 88.529 83.151 41.909 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 55.066 80.916 18.703 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 54.635 81.684 18.327 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 55.097 81.094 19.643 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 35.800 9.052 51.332 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 35.514 9.779 50.780 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 36.725 8.935 51.114 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 39.699 57.752 42.490 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 39.669 58.651 42.162 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 40.551 57.421 42.205 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 30.779 5.000 54.199 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 31.553 4.582 54.579 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 30.928 4.965 53.254 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 21.211 48.627 34.606 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 20.939 47.990 33.946 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 21.113 49.476 34.175 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 51.730 61.563 62.518 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 51.786 62.368 62.003 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 50.844 61.570 62.879 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 28.843 85.203 51.974 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 28.941 85.714 51.171 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 28.680 84.309 51.672 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 51.622 58.885 1.065 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 51.551 58.796 2.015 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 52.560 58.810 0.886 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 33.691 45.638 31.814 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 33.997 46.037 32.628 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 34.464 45.625 31.248 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 56.398 88.288 8.865 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 56.810 88.859 8.218 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 55.611 87.961 8.430 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 84.430 2.216 -6.140 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 83.648 2.712 -5.898 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 84.173 1.728 -6.922 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 48.210 42.173 28.609 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 47.879 41.407 28.139 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 49.160 42.056 28.618 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 53.380 70.371 32.701 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 52.879 70.958 33.268 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 54.235 70.299 33.125 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 54.671 2.885 4.141 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 54.268 3.178 4.958 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 55.365 3.524 3.973 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 21.599 94.166 22.759 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 22.259 94.859 22.783 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 20.762 94.630 22.793 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 76.150 88.409 56.205 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 76.562 89.271 56.157 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 76.438 88.052 57.046 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 83.804 94.870 60.893 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 83.479 95.754 61.066 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 84.312 94.645 61.673 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 75.100 59.500 54.972 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 75.219 59.782 54.065 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 74.443 60.100 55.326 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 56.529 77.365 35.246 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 56.308 76.603 35.781 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 57.042 77.009 34.521 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 33.539 38.668 55.496 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 32.792 38.086 55.638 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 33.407 39.384 56.117 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 80.495 76.389 28.210 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 79.841 76.456 28.906 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 80.335 75.533 27.813 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 41.648 89.977 7.375 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 42.132 89.152 7.318 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 40.727 89.717 7.356 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 63.559 42.748 -3.810 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 63.527 43.689 -3.986 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 63.121 42.647 -2.965 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 57.310 44.636 66.037 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 58.051 44.319 66.554 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 56.602 44.744 66.672 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 69.549 30.800 29.723 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 70.311 30.315 29.405 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 69.158 30.226 30.382 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 25.581 52.258 61.283 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 25.002 51.497 61.308 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 26.390 51.958 61.698 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 23.978 59.110 -1.915 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 24.389 58.419 -1.396 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 24.702 59.510 -2.398 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 58.986 29.486 56.164 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 59.221 29.631 57.081 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 58.073 29.199 56.193 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 32.200 87.936 -10.050 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 32.728 87.177 -9.800 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 32.616 88.674 -9.605 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 68.253 51.981 64.379 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 68.374 52.775 64.899 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 67.453 51.586 64.725 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 71.675 86.722 63.792 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 71.117 86.916 64.546 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 72.548 87.006 64.061 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 28.446 69.096 37.377 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 28.249 68.858 36.471 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 29.402 69.140 37.411 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 53.818 76.076 45.661 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 53.377 76.764 45.163 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 53.255 75.309 45.561 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 45.650 30.782 47.090 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 45.201 30.281 47.771 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 46.326 31.271 47.559 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 22.817 71.240 56.398 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 22.513 71.808 55.690 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 22.933 70.384 55.986 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 83.209 50.099 -1.087 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 82.549 50.713 -1.409 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 83.704 50.599 -0.437 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 86.102 91.214 63.575 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 85.957 92.093 63.223 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 85.253 90.780 63.495 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 42.867 45.027 61.172 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 42.568 45.936 61.146 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 43.820 45.090 61.238 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 77.847 94.603 -12.415 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 77.154 95.264 -12.397 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 78.183 94.632 -13.311 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 31.993 95.025 47.349 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 32.272 94.146 47.093 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 32.716 95.363 47.877 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 42.122 8.898 -11.249 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 41.709 9.685 -11.606 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 42.174 9.061 -10.307 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 63.166 75.719 0.547 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 63.656 75.002 0.948 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 62.261 75.577 0.825 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 58.478 94.662 62.090 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 58.230 93.904 61.560 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 58.107 94.481 62.954 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 19.954 87.039 30.169 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 20.001 86.644 31.039 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 20.867 87.128 29.895 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 89.808 80.793 17.428 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 90.576 80.801 16.857 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 89.322 80.012 17.167 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 50.110 92.417 43.637 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 50.744 92.813 44.235 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 49.612 91.809 44.184 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 42.755 49.822 4.613 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 43.600 49.778 4.166 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 42.977 49.864 5.543 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 59.289 75.652 51.175 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 59.600 75.342 50.325 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 58.415 76.001 50.999 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 89.275 83.567 54.419 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 89.726 83.862 53.628 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 88.856 82.744 54.163 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 73.513 53.630 24.030 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 73.025 54.055 23.325 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 73.170 52.738 24.056 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 72.949 69.103 52.447 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 72.497 69.944 52.381 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 72.941 68.755 51.555 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 70.306 8.993 54.039 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 69.596 8.422 54.332 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 70.352 9.680 54.704 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 53.848 83.852 21.858 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 54.717 84.247 21.927 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 53.999 83.014 21.421 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 57.211 25.769 50.350 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 56.696 26.574 50.301 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 56.607 25.081 50.072 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 68.901 75.670 57.605 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 67.992 75.406 57.464 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 68.982 76.506 57.146 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 40.044 95.093 53.052 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 40.823 94.612 52.774 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 40.195 95.278 53.979 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 78.094 69.738 -5.209 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 78.727 70.454 -5.149 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 78.470 69.040 -4.673 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 84.661 72.084 -13.650 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 84.605 72.953 -13.251 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 84.160 71.518 -13.063 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 23.702 39.383 59.427 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 23.322 39.195 60.285 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 23.278 38.761 58.835 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 21.445 76.576 53.421 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 22.254 76.885 53.014 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 21.735 76.101 54.200 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 78.379 71.675 -12.784 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 78.918 72.203 -13.374 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 78.801 71.765 -11.929 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 34.046 9.503 -13.754 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 34.646 9.907 -14.381 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 34.608 9.209 -13.038 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 23.136 72.718 38.188 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 23.171 72.598 37.239 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 24.022 72.985 38.430 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 52.500 92.101 38.789 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 53.429 92.306 38.889 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 52.056 92.942 38.891 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 31.707 13.242 4.842 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 31.744 13.854 5.578 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 32.264 13.639 4.173 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 22.421 58.488 -4.282 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 23.016 58.544 -3.534 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 22.608 59.273 -4.797 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 64.132 20.733 -14.990 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 64.218 21.568 -14.529 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 64.950 20.645 -15.480 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 52.222 77.732 59.898 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 51.365 78.109 60.095 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 52.759 77.941 60.663 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 62.794 49.924 45.625 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 62.741 50.862 45.443 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 63.155 49.544 44.824 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 42.156 61.196 -1.546 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 42.908 61.040 -0.975 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 41.481 61.544 -0.963 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 47.779 87.149 44.761 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 48.519 87.067 45.363 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 47.260 87.870 45.115 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 40.021 87.559 33.600 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 39.489 88.346 33.714 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 39.459 86.844 33.900 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 60.450 4.583 32.157 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 59.960 3.764 32.079 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 60.398 4.807 33.086 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 77.669 90.678 42.829 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 77.995 90.343 43.664 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 76.719 90.713 42.939 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 87.551 18.279 -1.188 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 87.362 18.585 -2.075 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 86.949 17.547 -1.054 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 35.736 7.163 65.606 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 35.373 6.280 65.539 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 34.991 7.742 65.445 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 25.011 50.934 49.097 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 24.250 51.453 49.354 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 25.207 51.219 48.205 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 47.135 60.204 -1.016 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 47.136 60.544 -0.121 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 48.058 60.049 -1.215 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 42.362 27.197 23.852 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 43.235 27.049 23.489 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 42.497 27.842 24.547 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 64.761 29.526 -14.399 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 65.217 28.832 -13.923 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 64.165 29.907 -13.754 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 59.218 35.376 -13.702 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 59.227 34.654 -13.075 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 59.467 36.144 -13.187 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 53.331 62.995 44.237 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 53.809 62.198 44.007 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 53.335 63.516 43.435 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 50.351 89.126 9.077 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 50.565 88.345 9.587 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 49.653 89.553 9.573 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 69.181 76.712 27.667 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 69.213 76.545 26.725 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 68.548 76.077 28.001 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 32.240 70.887 -3.084 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 31.437 70.904 -2.563 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 32.836 70.326 -2.589 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 27.677 7.260 62.991 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 27.117 8.035 62.938 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 27.378 6.699 62.276 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 37.230 48.082 -8.883 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 36.516 48.035 -9.520 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 37.800 48.777 -9.213 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 72.008 79.218 26.668 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 72.539 79.794 27.217 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 71.487 78.708 27.288 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 80.010 71.607 58.220 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 80.781 71.513 57.661 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 80.251 72.285 58.850 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 60.667 65.798 58.175 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 61.111 66.531 57.749 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 59.771 65.833 57.842 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 75.810 81.284 46.279 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 76.590 80.779 46.048 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 75.273 81.271 45.487 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 57.468 47.987 43.404 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 57.227 48.466 42.611 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 56.837 47.268 43.451 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 56.973 93.163 43.333 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 57.278 94.059 43.475 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 56.433 93.216 42.544 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 66.317 80.394 -12.683 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 66.408 79.571 -12.202 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 66.372 80.140 -13.605 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 29.117 68.865 -19.438 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 29.983 68.817 -19.034 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 28.664 68.080 -19.132 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 32.213 69.073 16.152 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 32.799 68.656 15.520 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 32.788 69.351 16.865 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 58.501 60.820 50.362 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 58.916 60.062 49.951 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 58.284 60.525 51.247 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 63.259 52.718 55.320 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 62.429 52.240 55.337 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 63.650 52.488 54.477 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 87.858 11.413 35.795 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 87.943 12.293 35.429 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 88.158 11.500 36.700 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 45.158 76.787 -0.588 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 45.016 75.934 -0.998 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 44.788 77.416 -1.207 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 33.934 59.819 37.781 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 34.017 58.873 37.658 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 33.459 60.121 37.007 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 27.626 63.904 66.789 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 26.977 64.234 66.168 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 27.209 63.141 67.189 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 21.055 24.754 54.733 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 21.854 25.268 54.610 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 20.688 25.073 55.557 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 78.375 42.668 24.021 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 78.691 42.566 24.919 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 77.483 43.001 24.118 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 33.464 43.564 63.898 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 33.207 42.910 64.549 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 32.675 43.702 63.373 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 81.691 83.264 -0.325 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 81.300 84.137 -0.307 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 82.635 83.424 -0.314 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 79.001 43.310 40.790 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 79.388 43.539 41.636 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 79.639 43.614 40.145 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 26.043 45.369 -13.697 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 26.317 44.646 -13.134 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 26.860 45.784 -13.972 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 20.744 13.935 46.616 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 20.610 12.993 46.513 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 21.521 14.126 46.091 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 47.532 29.843 -8.647 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 46.719 29.340 -8.596 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 47.528 30.387 -7.860 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 56.425 0.971 41.943 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 56.331 0.039 41.746 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 55.532 1.313 41.919 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 63.776 92.044 -2.858 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 64.032 92.637 -2.151 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 63.155 92.550 -3.383 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 68.041 36.285 12.607 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 67.935 35.918 13.485 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 67.964 37.231 12.731 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 54.491 8.695 19.351 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 53.883 9.349 19.697 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 55.034 9.178 18.729 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 62.418 80.119 62.186 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 62.894 79.647 62.869 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 63.048 80.207 61.471 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 60.550 89.354 16.937 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 60.834 89.446 16.027 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 60.896 88.504 17.211 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 74.766 80.935 -0.590 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 74.083 80.265 -0.564 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 74.638 81.376 -1.429 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 77.138 85.341 29.533 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 76.452 85.584 28.911 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 77.914 85.812 29.231 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 62.144 58.742 17.461 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 61.237 58.704 17.156 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 62.241 57.972 18.021 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 35.202 20.744 50.553 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 34.534 20.936 51.211 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 35.931 20.375 51.051 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 48.968 94.349 50.049 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 49.284 93.945 49.241 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 49.737 94.380 50.618 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 24.569 83.452 3.428 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 24.665 82.501 3.388 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 25.107 83.778 2.705 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 35.062 3.645 40.146 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 35.341 2.794 40.484 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 35.804 4.225 40.314 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 34.376 68.703 54.082 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 34.007 68.914 54.940 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 34.647 69.548 53.723 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 65.544 84.081 32.723 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 65.530 83.474 31.983 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 65.652 84.944 32.323 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 41.857 79.708 -12.527 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 42.240 79.329 -11.736 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 41.046 79.217 -12.660 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 37.346 6.988 47.147 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 37.629 6.410 47.856 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 38.139 7.148 46.637 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 73.839 83.909 43.773 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 74.784 83.905 43.927 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 73.549 84.765 44.087 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 69.718 68.476 -6.110 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 69.932 67.679 -6.595 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 68.920 68.257 -5.629 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 26.145 51.734 42.680 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 25.861 50.950 43.149 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 26.669 51.401 41.952 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 48.138 60.523 59.943 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 48.419 60.907 59.113 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 47.186 60.618 59.942 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 89.490 55.829 13.119 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 88.547 55.686 13.200 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 89.626 56.721 13.438 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 67.806 79.146 9.243 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 67.884 79.984 9.700 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 67.110 79.287 8.600 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 36.146 6.349 37.183 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 35.455 6.990 37.347 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 35.874 5.572 37.671 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 25.360 65.264 48.830 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 25.544 64.884 49.689 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 24.508 65.688 48.933 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 28.499 93.041 46.459 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 28.012 93.851 46.309 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 29.123 92.998 45.734 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 40.780 54.688 37.763 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 41.271 54.488 36.967 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 40.989 55.603 37.951 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 76.149 82.237 7.275 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 75.376 82.734 7.005 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 76.776 82.904 7.555 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 85.359 49.948 -2.718 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 85.105 49.035 -2.852 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 84.922 50.202 -1.905 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 86.287 81.038 52.481 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 87.199 81.148 52.749 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 86.337 80.579 51.643 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 72.967 66.531 66.943 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 73.556 67.240 66.683 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 73.538 65.885 67.359 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 66.474 89.056 65.046 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 66.786 88.643 64.241 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 67.235 89.527 65.385 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 36.940 60.477 52.773 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 37.259 60.725 51.906 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 37.733 60.296 53.278 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 75.624 64.752 61.611 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 74.756 64.978 61.946 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 75.675 65.190 60.762 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 81.523 89.498 -10.472 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 82.185 90.183 -10.381 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 80.937 89.819 -11.157 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 86.221 34.891 64.633 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 86.300 33.942 64.538 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 85.963 35.199 63.765 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 79.121 64.184 24.230 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 78.178 64.147 24.069 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 79.333 65.117 24.204 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 52.492 29.846 41.825 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 52.480 30.442 41.076 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 52.687 28.989 41.446 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 40.496 87.771 -5.637 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 39.555 87.930 -5.565 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 40.875 88.225 -4.885 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 86.781 85.073 50.923 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 87.309 84.340 51.241 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 87.421 85.712 50.609 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 69.462 4.139 4.764 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 68.604 4.275 4.362 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 69.271 3.983 5.690 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 48.701 73.268 47.385 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 48.612 72.511 46.806 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 48.659 72.900 48.268 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 40.956 15.203 27.987 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 40.107 15.240 28.428 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 41.308 14.342 28.216 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 51.555 86.689 -8.570 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 50.603 86.619 -8.502 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 51.878 85.828 -8.303 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 67.883 2.754 -15.203 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 67.320 3.468 -14.904 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 68.192 2.338 -14.398 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 86.015 85.109 32.026 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 86.566 84.346 31.852 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 86.030 85.204 32.978 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 20.104 1.059 -1.258 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 20.291 0.917 -0.330 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 20.928 1.382 -1.622 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 73.562 28.854 52.182 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 73.797 28.185 51.539 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 73.828 29.680 51.777 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 36.757 68.978 -8.955 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 36.906 68.618 -8.081 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 36.912 69.917 -8.858 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 22.797 69.955 -14.887 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 23.669 69.875 -14.502 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 22.498 70.826 -14.624 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 77.885 54.319 49.845 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 77.570 55.164 49.525 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 77.489 53.676 49.257 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 38.966 89.697 34.964 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 38.794 88.927 35.506 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 39.537 90.246 35.501 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 53.059 66.471 -17.281 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 53.896 66.048 -17.472 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 52.676 65.940 -16.582 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 49.601 43.321 23.303 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 49.571 43.357 22.347 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 49.394 44.212 23.584 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 66.174 9.099 -14.192 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 66.650 9.776 -13.710 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 65.394 8.932 -13.663 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 72.532 74.576 9.972 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 72.293 74.021 10.714 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 73.420 74.301 9.744 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 24.809 36.321 -1.865 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 25.404 36.449 -2.604 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 25.365 35.970 -1.169 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 69.693 50.141 56.326 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 68.808 50.436 56.544 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 69.678 50.019 55.377 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 25.834 76.297 40.939 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 25.165 75.850 41.457 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 26.013 77.104 41.422 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 74.438 72.182 4.003 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 73.889 72.411 3.253 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 74.958 72.968 4.169 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 37.258 33.469 5.800 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 36.631 34.071 6.200 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 37.263 32.707 6.379 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 46.514 63.496 61.184 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 46.353 62.749 61.760 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 46.440 63.137 60.300 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 72.387 76.354 35.788 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 72.420 75.418 35.986 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 73.199 76.705 36.155 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 87.948 84.905 21.623 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 87.992 85.337 22.475 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 87.348 85.445 21.110 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 80.354 4.731 10.648 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 80.585 3.819 10.828 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 79.432 4.799 10.896 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 88.395 52.247 51.716 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 87.886 52.091 50.920 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 89.306 52.138 51.444 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 86.384 67.957 -7.355 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 86.445 68.562 -6.616 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 87.266 67.943 -7.727 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 82.530 65.511 57.890 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 83.089 66.134 57.425 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 82.672 65.706 58.816 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 27.730 7.796 5.062 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 27.598 6.953 4.627 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 28.227 8.317 4.431 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 81.396 4.769 52.568 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 82.163 5.017 53.083 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 81.738 4.609 51.688 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 55.024 90.768 59.299 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 55.615 90.120 59.682 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 55.500 91.109 58.542 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 87.901 88.542 29.998 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 87.234 87.858 29.937 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 88.727 88.087 29.830 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 85.620 72.367 53.116 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 86.031 71.565 53.438 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 84.757 72.378 53.530 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 50.600 75.425 -1.399 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 50.985 74.689 -0.923 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 51.065 76.194 -1.069 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 30.176 5.174 58.325 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 30.535 4.382 57.925 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 30.944 5.679 58.590 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 54.770 92.451 54.935 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 53.827 92.361 54.795 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 55.116 91.567 54.816 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 89.616 14.027 51.502 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 89.794 14.096 50.565 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 88.717 14.341 51.600 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 30.371 92.864 48.520 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 31.091 93.269 48.037 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 29.658 92.807 47.883 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 85.295 96.290 -11.904 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 85.956 95.889 -12.468 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 85.605 96.124 -11.014 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 81.346 0.161 55.407 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 82.215 0.563 55.398 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 80.968 0.389 54.558 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 86.309 11.727 50.940 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 85.749 11.945 51.685 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 86.625 12.572 50.622 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 49.336 72.591 33.196 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 50.169 72.843 33.594 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 49.332 71.634 33.233 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 58.120 49.003 54.046 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 58.582 49.711 54.495 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 58.076 49.286 53.133 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 45.969 78.332 1.385 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 45.957 77.882 0.540 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 46.033 77.628 2.031 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 57.842 85.314 52.198 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 58.625 85.036 52.673 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 57.695 84.623 51.552 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 27.439 33.256 23.628 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 27.411 32.467 23.086 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 28.174 33.113 24.223 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 56.858 94.250 -9.170 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 56.721 93.361 -8.841 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 57.744 94.477 -8.886 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 73.380 53.409 -16.080 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 73.340 54.324 -15.800 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 72.975 53.406 -16.947 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 65.605 81.958 10.539 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 65.397 81.048 10.751 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 66.336 82.178 11.116 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 43.930 70.779 26.968 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 44.771 70.323 27.013 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 43.950 71.391 27.703 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 28.107 34.689 26.307 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 27.255 34.690 25.871 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 28.725 34.960 25.628 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 32.153 41.830 61.334 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 32.631 42.557 60.935 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 32.537 41.046 60.942 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 21.036 1.749 46.750 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 21.127 1.649 45.802 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 20.286 1.200 46.978 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 44.856 52.380 -8.976 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 44.645 51.888 -8.182 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 45.539 52.993 -8.704 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 55.986 10.251 8.754 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 55.412 10.850 9.231 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 56.022 9.466 9.302 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 61.799 14.087 33.340 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 61.365 13.922 32.503 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 61.296 13.577 33.975 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 30.493 15.361 52.792 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 30.765 14.450 52.905 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 29.549 15.351 52.952 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 47.119 60.541 8.461 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 48.065 60.684 8.498 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 46.870 60.348 9.364 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 79.698 93.402 30.467 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 79.210 93.661 29.685 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 79.493 94.078 31.113 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 83.030 4.442 -11.623 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 82.729 3.979 -10.841 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 82.578 4.010 -12.347 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 36.144 84.542 54.356 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 36.902 84.707 54.917 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 36.300 85.078 53.578 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 40.096 40.428 46.167 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 39.376 40.888 45.736 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 40.385 39.780 45.525 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 75.771 30.239 -16.717 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 75.487 31.084 -17.066 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 76.566 30.440 -16.222 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 86.075 83.211 -5.073 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 86.736 82.529 -4.953 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 85.480 83.101 -4.331 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 86.698 87.234 45.442 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 86.454 86.578 44.789 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 86.818 86.735 46.250 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 57.900 5.261 56.431 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 58.730 4.816 56.256 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 57.234 4.586 56.303 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 33.273 72.462 24.765 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 32.891 71.626 24.499 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 33.940 72.226 25.410 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 87.228 62.942 61.686 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 86.294 62.983 61.892 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 87.320 63.460 60.887 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 54.306 29.889 46.871 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 54.160 30.306 46.021 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 54.914 29.173 46.686 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 33.492 3.136 62.994 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 34.196 3.403 63.585 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 33.077 2.394 63.435 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 71.519 48.723 51.165 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 70.586 48.914 51.062 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 71.916 49.569 51.370 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 79.656 49.157 27.400 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 79.159 49.940 27.636 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 78.999 48.462 27.349 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 78.942 6.438 -10.056 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 79.695 6.752 -10.556 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 78.833 7.082 -9.356 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 66.459 71.961 59.909 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 66.915 72.628 60.421 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 66.338 72.359 59.047 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 78.217 60.655 -11.304 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 77.374 60.229 -11.151 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 78.114 61.096 -12.148 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 31.835 69.564 10.841 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 32.505 69.233 10.243 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 32.297 69.697 11.669 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 49.796 20.128 64.283 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 50.715 20.352 64.136 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 49.388 20.212 63.421 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 78.294 71.699 13.934 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 78.026 71.508 13.035 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 78.688 70.884 14.246 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 56.640 48.834 3.152 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 57.502 49.151 3.424 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 56.182 49.616 2.844 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 71.807 59.465 58.165 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 72.199 58.600 58.041 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 71.374 59.654 57.333 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 78.884 17.131 -18.207 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 78.111 16.579 -18.326 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 78.961 17.617 -19.028 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 49.669 63.527 55.169 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 49.359 62.791 54.642 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 50.608 63.370 55.272 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 67.092 3.812 3.439 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 67.610 3.721 2.639 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 66.188 3.674 3.157 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 58.809 61.161 25.620 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 57.919 60.899 25.856 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 58.746 61.423 24.701 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 33.643 96.053 51.506 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 33.322 95.350 50.941 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 34.058 96.673 50.905 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 77.137 80.831 -7.531 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 76.501 80.998 -8.226 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 76.605 80.694 -6.747 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 62.038 95.362 59.034 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 61.132 95.055 59.006 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 62.358 95.088 59.894 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 43.585 94.170 44.467 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 44.538 94.204 44.389 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 43.413 94.370 45.388 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 69.271 64.665 20.127 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 69.697 64.377 19.319 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 68.404 64.959 19.849 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 72.012 55.412 22.505 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 71.273 55.762 23.003 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 71.648 55.219 21.641 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 47.961 80.143 60.659 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 47.701 80.963 61.078 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 48.824 79.950 61.024 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 82.607 52.991 16.701 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 82.553 52.249 16.098 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 82.477 52.606 17.568 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 33.651 58.248 -14.056 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 33.726 57.303 -13.919 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 34.157 58.635 -13.341 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 79.425 0.892 31.430 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 80.090 0.267 31.139 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 78.632 0.634 30.961 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 52.018 35.299 49.781 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 52.922 35.562 49.611 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 51.489 36.022 49.444 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 21.475 47.239 -0.180 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 21.011 47.370 0.646 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 21.574 48.119 -0.543 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 55.541 83.801 6.906 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 56.311 84.369 6.875 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 55.815 83.054 7.439 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 37.197 74.252 -13.377 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 36.936 73.909 -14.232 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 36.770 73.673 -12.745 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 37.576 78.146 42.903 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 36.866 77.862 42.328 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 38.002 77.334 43.178 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 53.695 17.684 38.849 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 53.335 18.421 39.342 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 54.048 18.078 38.051 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 55.548 14.983 24.278 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 55.003 15.715 23.990 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 55.365 14.285 23.649 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 45.645 3.418 47.609 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 46.477 3.513 48.073 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 45.067 2.988 48.239 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 52.463 8.561 58.592 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 52.310 9.503 58.671 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 53.414 8.468 58.643 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 73.649 82.319 -16.987 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 74.434 82.510 -17.501 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 73.960 82.272 -16.083 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 65.667 26.117 41.763 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 65.058 26.835 41.591 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 65.105 25.362 41.937 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 49.158 5.819 1.479 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 49.922 6.369 1.308 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 49.523 4.992 1.795 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 27.441 15.512 33.351 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 26.667 14.985 33.553 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 27.755 15.166 32.516 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 53.580 11.072 31.291 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 53.228 11.093 30.401 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 52.902 11.482 31.827 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 60.189 78.015 56.819 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 59.423 77.901 56.256 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 59.847 78.440 57.606 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 65.712 66.474 21.854 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 65.409 65.720 21.348 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 64.977 66.690 22.427 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 71.086 3.495 55.226 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 72.014 3.547 54.997 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 70.696 2.971 54.526 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 28.126 -0.201 59.998 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 27.464 0.453 59.774 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 28.217 -0.136 60.948 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 34.892 60.765 66.731 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 35.310 59.970 66.400 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 34.511 60.505 67.569 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 85.774 21.190 56.853 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 84.991 21.615 56.503 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 85.450 20.384 57.255 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 33.537 63.415 -0.123 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 34.372 63.799 0.144 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 33.334 62.781 0.564 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 54.529 84.131 44.272 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 54.383 83.186 44.233 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 55.094 84.317 43.522 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 78.353 81.153 35.880 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 77.925 82.001 36.000 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 79.088 81.166 36.493 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 51.008 62.534 48.680 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 51.579 63.066 48.125 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 51.045 61.659 48.294 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 55.039 11.924 35.580 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 55.411 11.042 35.578 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 55.744 12.480 35.913 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 76.595 9.057 3.635 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 76.060 9.502 4.291 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 77.077 8.393 4.127 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 85.441 8.384 47.806 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 85.020 9.117 48.256 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 86.344 8.672 47.672 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 87.422 59.066 32.837 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 86.974 58.583 33.531 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 86.802 59.069 32.108 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 57.007 12.518 -10.066 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 57.195 11.589 -9.937 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 57.657 12.971 -9.528 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 69.983 95.704 -14.938 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 69.658 95.618 -14.042 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 70.298 96.606 -14.994 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 55.547 17.716 -5.987 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 56.110 18.421 -6.306 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 54.803 17.712 -6.590 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 31.955 54.968 35.464 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 32.193 55.326 34.609 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 31.000 55.018 35.488 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 76.651 74.804 3.598 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 77.177 74.285 4.206 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 76.626 75.678 3.987 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 73.978 24.947 -13.716 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 74.429 25.774 -13.887 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 74.673 24.289 -13.727 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 55.002 85.206 50.310 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 54.939 84.439 49.740 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 54.096 85.487 50.435 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 38.158 96.621 -0.186 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 39.012 96.198 -0.265 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 37.611 95.976 0.262 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 85.570 40.519 65.871 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 85.750 41.290 66.409 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 85.832 40.776 64.987 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 90.151 91.133 -11.906 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 89.856 90.368 -11.412 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 89.360 91.459 -12.337 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 64.402 82.659 44.120 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 65.149 82.115 44.371 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 63.845 82.675 44.898 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 58.625 14.813 -3.708 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 58.972 14.285 -4.427 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 57.768 14.429 -3.520 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 23.458 51.166 8.813 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 24.271 51.269 8.319 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 23.735 50.835 9.667 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 56.390 69.440 -16.102 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 55.471 69.704 -16.122 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 56.407 68.672 -15.531 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 35.417 54.822 33.500 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 35.612 55.414 34.226 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 35.921 55.171 32.764 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 57.888 41.403 41.702 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 58.766 41.704 41.467 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 57.398 42.207 41.877 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 58.565 28.168 46.269 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 58.543 28.943 46.830 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 59.394 27.740 46.483 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 85.880 71.788 61.730 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 85.719 72.224 60.893 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 85.571 70.892 61.596 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 80.521 0.167 6.691 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 79.941 -0.593 6.665 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 80.464 0.543 5.812 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 55.141 94.755 53.413 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 54.940 94.080 54.062 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 55.677 94.306 52.759 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 65.539 30.232 51.983 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 65.831 31.122 52.180 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 65.824 29.714 52.736 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 20.047 19.730 -4.634 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 20.048 20.299 -3.865 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 20.903 19.302 -4.617 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 59.212 92.117 46.019 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 59.280 93.002 45.661 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 58.877 91.589 45.294 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 56.440 17.317 55.204 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 56.591 18.060 54.620 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 55.490 17.198 55.201 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 62.549 39.837 39.333 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 62.590 40.730 38.989 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 62.337 39.297 38.572 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 27.859 93.309 9.548 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 28.036 93.622 10.435 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 27.153 92.671 9.655 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 86.846 40.828 -16.245 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 87.188 40.484 -15.419 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 85.921 40.998 -16.069 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 37.973 0.908 18.554 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 38.370 0.234 18.001 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 37.128 0.540 18.812 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 78.988 62.385 51.507 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 78.418 61.829 50.976 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 79.235 63.102 50.924 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 71.641 28.975 38.402 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 70.828 29.458 38.549 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 71.492 28.123 38.811 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 41.741 90.800 48.299 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 41.042 91.439 48.435 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 41.869 90.398 49.158 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 28.016 94.011 -10.173 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 27.243 94.110 -9.617 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 28.036 94.808 -10.702 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 69.519 91.105 59.576 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 68.640 91.430 59.770 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 69.998 91.203 60.399 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 61.877 43.146 -1.520 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 62.273 43.804 -0.948 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 61.616 42.441 -0.929 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 72.546 46.209 61.785 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 72.171 46.651 62.547 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 73.330 45.774 62.121 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 51.507 91.857 0.546 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 50.694 91.359 0.469 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 51.363 92.440 1.291 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 81.770 79.067 56.395 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 82.249 79.701 55.861 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 81.082 79.581 56.818 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 30.228 47.702 59.838 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 29.832 48.570 59.762 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 31.170 47.865 59.809 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 78.281 81.753 63.338 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 78.745 81.579 64.157 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 78.190 82.705 63.312 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 22.482 57.309 -11.230 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 22.402 57.440 -12.175 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 23.425 57.312 -11.066 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 71.207 79.303 -18.701 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 71.492 79.528 -19.587 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 70.933 80.137 -18.318 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 84.049 62.471 -9.045 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 83.291 62.936 -9.397 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 84.250 62.925 -8.226 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 26.835 66.447 -9.767 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 26.811 65.895 -8.985 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 27.712 66.313 -10.127 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 89.966 37.314 61.401 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 90.549 37.982 61.760 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 90.473 36.503 61.447 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 37.013 59.154 24.619 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 37.759 59.114 24.021 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 37.147 59.962 25.115 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 71.396 72.208 22.478 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 71.101 71.927 21.612 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 70.678 71.970 23.065 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 22.585 1.520 50.168 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 21.981 1.835 50.840 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 22.191 0.707 49.853 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 30.097 22.846 27.429 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 29.985 22.004 27.870 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 30.245 23.471 28.139 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 80.084 32.764 15.037 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 80.155 32.508 14.117 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 80.009 33.718 15.016 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 79.346 69.007 61.558 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 80.002 68.442 61.151 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 78.827 68.417 62.105 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 77.573 20.463 5.105 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 76.768 20.450 4.587 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 78.231 20.835 4.518 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 25.443 5.825 5.479 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 25.070 5.086 4.998 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 26.299 5.512 5.773 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 31.965 6.805 29.833 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 32.072 5.869 30.006 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 31.077 6.884 29.485 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 77.809 67.382 26.813 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 78.337 66.813 26.253 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 76.934 66.995 26.793 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 59.695 51.387 65.442 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 60.360 52.058 65.292 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 58.968 51.857 65.850 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 77.930 7.151 8.170 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 77.812 6.898 7.254 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 78.611 7.823 8.148 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 83.282 60.763 -2.386 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 84.196 60.784 -2.103 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 82.886 60.061 -1.870 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 84.453 51.977 47.903 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 83.670 51.566 47.537 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 85.061 51.252 48.046 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 89.656 90.567 33.995 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 88.738 90.789 33.841 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 89.969 90.244 33.150 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 53.304 89.137 -5.954 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 53.442 88.765 -6.825 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 52.460 89.585 -6.016 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 40.227 85.427 47.173 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 39.772 86.171 46.780 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 39.533 84.800 47.376 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 46.222 36.989 38.789 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 45.558 37.329 38.189 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 46.582 37.768 39.214 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 55.058 26.603 33.175 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 55.561 26.187 33.875 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 54.760 25.875 32.629 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 77.508 28.991 -2.535 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 77.485 28.082 -2.234 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 78.413 29.268 -2.392 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 86.385 2.477 40.486 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 86.538 2.300 41.414 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 87.190 2.900 40.186 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 42.149 94.665 47.968 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 41.784 95.066 47.179 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 43.046 94.433 47.726 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 65.003 4.020 16.733 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 65.707 4.498 16.295 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 65.452 3.454 17.361 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 29.077 3.475 61.265 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 29.584 4.248 61.509 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 29.036 2.951 62.065 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 77.314 79.648 9.271 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 76.955 80.057 10.058 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 77.699 78.829 9.580 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 28.575 83.472 19.944 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 29.203 83.126 19.311 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 28.716 82.949 20.733 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 84.083 53.850 52.063 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 84.267 54.154 52.951 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 84.095 54.645 51.530 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 74.937 13.735 -3.954 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 74.775 14.221 -3.146 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 74.747 12.824 -3.729 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 65.900 70.292 -5.633 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 65.058 70.745 -5.593 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 65.796 69.540 -5.050 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 90.433 9.310 -15.363 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 90.806 10.050 -14.883 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 89.492 9.370 -15.202 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 40.076 90.000 67.232 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 40.062 90.777 66.672 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 40.301 89.282 66.640 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 20.676 77.109 18.484 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 21.595 77.228 18.246 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 20.693 76.476 19.202 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 56.340 84.747 23.564 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 56.406 85.447 24.213 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 57.164 84.266 23.645 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 57.080 38.879 42.069 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 57.024 38.714 41.128 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 57.477 39.747 42.138 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 90.815 89.903 0.114 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 90.590 88.994 0.314 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 90.197 90.422 0.629 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 71.394 53.096 30.109 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 71.215 52.521 29.365 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 71.729 52.511 30.789 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 81.424 3.119 43.022 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 82.188 3.005 42.456 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 81.078 3.980 42.787 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 28.904 0.473 52.991 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 29.190 -0.432 53.115 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 29.621 0.888 52.511 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 36.619 31.624 -10.320 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 37.567 31.511 -10.254 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 36.497 32.566 -10.435 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 24.473 32.136 21.100 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 23.920 32.732 21.605 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 24.407 32.451 20.199 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 65.656 59.887 -9.694 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 66.568 60.129 -9.854 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 65.510 60.101 -8.772 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 88.780 96.041 6.501 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 89.529 95.711 6.998 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 88.806 96.989 6.630 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 48.195 0.819 -8.407 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 48.223 0.124 -7.749 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 47.603 1.474 -8.038 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 80.551 85.852 -2.899 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 81.361 86.092 -3.351 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 80.518 84.897 -2.959 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 41.986 3.853 23.787 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 41.673 4.374 23.048 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 42.714 3.344 23.431 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 85.192 7.580 41.781 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 84.745 6.974 42.372 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 86.121 7.373 41.883 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 30.582 73.181 54.309 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 31.131 72.536 53.863 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 30.958 74.026 54.065 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 65.652 58.951 25.037 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 65.576 58.058 24.700 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 64.748 59.260 25.103 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 83.864 40.294 47.945 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 84.186 39.561 47.420 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 84.530 40.416 48.621 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 49.175 88.799 58.778 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 49.231 88.222 58.016 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 50.077 88.872 59.090 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 36.498 13.889 47.140 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 36.016 14.161 47.921 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 36.876 14.699 46.797 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 41.922 70.967 10.628 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 42.867 70.829 10.566 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 41.723 70.847 11.557 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 32.362 82.737 50.359 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 32.251 83.470 49.753 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 32.701 83.137 51.160 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 86.176 88.050 25.403 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 85.388 87.963 24.867 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 86.410 88.975 25.336 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 73.041 73.337 48.436 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 73.495 72.841 49.118 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 73.544 73.166 47.640 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 90.062 65.563 14.950 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 90.948 65.261 15.154 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 90.108 65.842 14.036 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 50.124 4.614 13.469 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 49.607 4.086 14.077 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 49.769 5.498 13.558 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 74.139 58.242 0.450 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 74.885 58.360 1.039 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 73.375 58.245 1.027 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 59.617 89.157 58.914 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 59.582 89.479 58.014 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 60.334 88.523 58.914 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 39.877 7.713 56.685 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 39.520 7.343 57.493 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 40.382 8.474 56.972 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 84.009 60.387 60.381 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 84.710 59.994 60.901 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 83.318 59.725 60.372 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 39.512 13.639 6.095 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 39.532 13.853 5.162 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 38.865 12.936 6.165 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 38.317 48.263 10.242 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 38.570 48.731 11.038 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 39.089 47.746 10.011 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 30.219 54.033 59.437 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 30.091 53.724 60.334 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 29.480 54.620 59.277 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 57.968 23.447 64.177 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 57.260 23.342 64.812 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 57.851 24.332 63.832 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 64.506 76.487 -3.069 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 63.784 76.788 -3.620 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 64.686 75.597 -3.374 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 79.191 93.350 21.825 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 78.722 93.387 22.658 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 78.762 94.009 21.279 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 60.643 8.389 53.712 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 61.149 7.580 53.637 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 61.303 9.080 53.767 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 40.896 55.975 64.222 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 40.100 56.429 63.943 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 41.495 56.676 64.478 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 51.209 96.177 65.492 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 50.498 95.816 66.021 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 51.135 97.124 65.605 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 24.900 84.006 50.583 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 24.838 84.349 51.474 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 25.256 83.124 50.689 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 89.702 90.872 24.022 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 89.165 90.655 23.259 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 90.519 91.207 23.653 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 69.279 21.470 66.977 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 69.037 20.861 66.279 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 70.055 21.921 66.644 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 28.684 30.915 3.742 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 28.168 31.681 3.490 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 29.198 30.705 2.962 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 87.206 0.362 65.538 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 87.529 0.028 66.375 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 87.684 1.181 65.406 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 28.832 60.849 61.547 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 28.374 61.175 62.321 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 29.748 60.789 61.818 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 23.200 26.234 39.989 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 22.321 25.990 39.696 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 23.477 25.507 40.547 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 46.516 92.462 50.934 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 47.358 92.746 50.577 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 46.007 92.198 50.167 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 89.811 77.966 -5.979 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 89.655 77.052 -6.215 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 88.967 78.276 -5.648 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 78.834 69.011 -1.701 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 78.248 68.295 -1.947 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 78.337 69.518 -1.058 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 88.813 6.865 -16.205 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 89.202 6.012 -16.008 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 89.562 7.443 -16.347 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 53.273 15.266 12.701 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 52.810 16.099 12.618 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 53.497 15.208 13.630 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 46.192 84.348 10.708 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 46.635 85.029 11.215 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 46.882 83.718 10.499 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 51.162 68.475 -4.618 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 51.639 69.270 -4.382 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 50.441 68.433 -3.990 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 60.854 81.800 26.452 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 61.379 82.152 25.733 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 61.267 80.962 26.661 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 57.403 89.655 16.378 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 58.113 90.200 16.040 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 56.748 90.279 16.690 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 22.303 80.809 40.508 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 21.348 80.763 40.557 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 22.590 79.897 40.555 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 21.535 62.169 66.618 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 21.161 61.799 67.418 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 20.959 62.902 66.401 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 31.601 67.612 -7.670 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 31.347 66.794 -8.099 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 31.908 68.171 -8.384 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 73.324 68.501 14.108 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 72.631 67.927 14.434 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 73.194 69.325 14.578 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 39.818 64.186 -1.208 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 40.066 65.048 -0.874 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 39.064 63.930 -0.677 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 39.542 96.654 -10.525 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 40.415 96.517 -10.891 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 39.589 96.279 -9.646 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 46.692 5.990 -13.735 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 45.804 6.194 -14.029 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 46.802 6.500 -12.933 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 76.331 62.212 35.165 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 75.900 61.358 35.208 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 75.646 62.838 35.399 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 61.433 11.502 55.803 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 60.941 10.742 56.116 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 61.694 11.268 54.912 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 69.581 64.634 -17.126 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 69.882 65.412 -17.596 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 68.966 64.214 -17.727 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 57.792 94.188 52.299 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 57.437 93.851 51.476 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 58.023 93.405 52.798 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 57.639 87.478 19.798 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 57.343 88.351 20.056 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 58.592 87.514 19.882 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 87.584 60.582 -5.361 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 87.993 59.969 -4.749 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 88.319 61.019 -5.790 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 36.230 6.027 31.925 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 36.187 5.149 32.304 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 35.316 6.303 31.853 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 24.751 89.505 29.575 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 24.271 88.682 29.485 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 24.514 90.007 28.795 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 57.714 86.035 48.629 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 57.257 86.876 48.636 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 57.059 85.409 48.322 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 35.296 44.130 0.536 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 35.390 44.614 -0.284 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 35.123 44.803 1.194 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 82.743 7.844 -4.037 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 83.368 8.563 -4.128 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 83.058 7.174 -4.644 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 60.909 26.768 -19.178 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 60.085 26.600 -19.635 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 60.646 26.998 -18.286 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 30.394 4.307 -8.273 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 29.669 4.858 -7.976 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 29.970 3.542 -8.663 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 78.975 74.045 56.995 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 79.360 73.790 56.157 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 78.885 73.223 57.477 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 22.881 93.693 54.423 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 21.990 93.929 54.683 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 23.252 93.267 55.196 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 81.108 69.231 1.575 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 80.247 68.814 1.550 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 81.416 69.093 2.471 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 75.270 79.608 16.838 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 75.359 79.673 17.789 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 74.652 78.889 16.704 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 49.956 15.108 -14.746 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 50.179 15.991 -15.038 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 50.711 14.574 -14.997 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 29.414 8.639 -3.561 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 28.477 8.601 -3.753 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 29.465 8.603 -2.606 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 30.426 76.637 -18.339 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 30.856 76.391 -19.158 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 29.545 76.269 -18.411 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 58.833 83.813 -19.169 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 59.288 84.628 -18.954 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 58.219 84.057 -19.861 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 22.113 23.365 58.760 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 21.818 22.460 58.863 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 21.939 23.572 57.842 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 37.317 11.452 32.797 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 37.012 10.670 33.258 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 36.583 11.702 32.236 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 74.654 19.244 -13.938 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 75.230 20.004 -14.013 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 74.866 18.706 -14.701 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 54.587 78.170 50.736 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 54.654 77.228 50.897 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 53.803 78.265 50.196 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 61.690 85.714 66.349 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 61.570 85.122 65.606 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 62.557 86.097 66.214 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 28.737 18.397 55.299 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 29.600 18.676 54.992 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 28.803 18.419 56.253 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 77.414 68.911 47.398 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 77.578 68.472 46.563 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 78.264 68.915 47.839 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 69.592 13.580 -12.708 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 69.980 14.267 -13.250 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 69.784 13.847 -11.809 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 40.481 12.544 22.124 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 40.600 12.519 21.175 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 40.931 13.342 22.402 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 70.638 92.532 -7.014 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 71.585 92.672 -7.016 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 70.537 91.581 -7.062 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 36.183 3.750 47.792 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 35.878 4.104 48.628 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 37.127 3.904 47.797 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 40.623 6.229 0.302 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 40.312 7.134 0.273 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 40.532 5.973 1.219 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 82.309 50.778 46.783 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 82.015 51.430 46.146 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 82.473 49.991 46.263 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 20.925 51.000 60.840 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 21.159 50.450 60.093 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 21.718 51.025 61.376 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 87.181 61.506 55.825 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 86.834 62.312 56.207 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 86.533 60.837 56.048 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 41.717 73.292 31.452 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 42.485 73.152 32.006 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 42.015 73.902 30.777 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 86.046 66.374 49.463 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 85.871 65.718 48.788 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 85.428 67.080 49.278 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 61.992 83.173 -19.060 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 62.931 83.309 -19.193 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 61.603 84.036 -19.198 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 28.607 28.627 58.008 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 28.142 27.900 57.594 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 28.353 28.580 58.930 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 23.062 53.650 61.936 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 23.981 53.675 61.667 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 23.069 53.177 62.768 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 25.405 3.266 50.511 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 24.480 3.111 50.699 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 25.872 2.644 51.070 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 67.509 88.021 -5.923 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 67.480 88.055 -6.879 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 66.651 88.341 -5.645 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 89.163 41.082 52.980 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 89.401 41.744 53.629 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 88.522 40.528 53.426 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 86.755 62.601 17.037 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 86.215 62.865 16.293 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 87.635 62.505 16.673 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 75.513 87.024 8.347 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 76.335 87.365 7.995 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 74.957 86.897 7.579 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 50.952 52.653 -15.843 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 50.318 52.089 -16.286 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 51.768 52.153 -15.857 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 42.847 76.567 6.437 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 43.393 77.000 7.094 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 43.008 75.633 6.570 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 60.748 46.007 3.440 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 60.856 46.648 4.142 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 60.251 45.294 3.841 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 46.911 14.250 58.480 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 46.467 13.408 58.588 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 47.692 14.181 59.028 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 71.120 8.690 -9.414 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 71.588 9.333 -8.881 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 71.682 7.915 -9.405 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 70.326 63.777 17.941 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 71.183 63.484 17.631 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 69.784 63.813 17.153 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 82.035 28.570 42.087 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 82.389 27.933 41.467 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 81.331 28.102 42.536 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 22.519 47.017 23.234 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 22.499 47.681 22.545 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 23.345 46.554 23.097 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 74.196 62.587 24.510 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 74.359 61.652 24.389 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 73.259 62.645 24.697 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 61.865 88.569 -18.122 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 62.229 88.475 -19.002 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 61.468 89.440 -18.119 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 34.415 85.953 -10.199 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 35.057 86.635 -9.997 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 34.776 85.503 -10.963 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 72.841 39.042 -17.983 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 72.852 38.696 -18.875 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 73.762 39.070 -17.725 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 78.933 82.810 50.491 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 79.309 83.014 51.347 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 78.308 82.106 50.665 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 34.091 16.700 27.448 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 34.488 16.807 26.583 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 33.252 17.156 27.385 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 34.323 57.208 37.125 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 33.497 56.758 36.944 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 34.799 57.176 36.295 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 61.741 35.497 30.766 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 60.929 35.844 30.397 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 62.339 35.443 30.021 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 70.675 17.976 -19.788 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 71.163 18.704 -19.403 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 71.327 17.492 -20.295 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 79.718 34.833 65.163 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 79.448 34.991 64.258 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 78.982 35.145 65.690 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 28.197 75.627 -19.301 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 27.316 75.949 -19.492 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 28.075 74.700 -19.098 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 21.730 60.442 3.653 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 22.024 59.611 4.025 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 22.137 60.475 2.787 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 78.325 88.704 59.505 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 78.639 88.297 58.697 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 78.395 88.013 60.164 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 21.391 14.931 3.505 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 22.092 15.124 2.882 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 20.628 15.394 3.158 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 67.175 73.007 51.184 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 67.242 72.497 51.991 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 66.235 73.062 51.012 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 90.094 29.544 67.389 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 90.732 28.974 66.960 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 89.671 30.014 66.670 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 61.778 95.337 39.754 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 62.102 94.800 40.477 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 62.476 95.304 39.100 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 42.881 1.381 -5.435 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 42.266 1.579 -4.729 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 43.554 0.839 -5.022 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 37.098 53.123 -3.643 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 36.979 52.304 -3.162 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 37.359 53.757 -2.975 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 46.396 55.251 50.588 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 46.972 55.789 50.045 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 45.709 54.957 49.990 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 60.522 81.571 57.754 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 59.926 82.303 57.909 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 60.147 80.845 58.252 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 28.096 22.914 13.714 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 27.956 22.863 14.660 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 27.439 22.326 13.342 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 69.760 28.892 -19.283 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 69.583 28.013 -19.620 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 70.695 28.887 -19.080 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 55.289 18.438 13.797 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 54.836 19.240 13.535 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 54.712 17.731 13.507 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 62.892 72.739 64.964 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 62.664 73.122 64.117 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 62.073 72.749 65.460 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 85.440 30.044 53.395 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 86.108 29.390 53.601 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 84.823 29.995 54.125 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 68.850 13.639 67.320 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 68.718 13.554 66.376 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 68.009 13.950 67.654 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 60.632 74.722 35.827 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 59.915 74.201 36.190 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 60.599 74.552 34.886 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 36.346 81.271 65.332 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 35.556 81.803 65.233 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 36.306 80.645 64.609 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 62.001 80.217 15.526 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 61.061 80.106 15.386 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 62.071 81.006 16.065 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 24.767 95.795 27.022 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 25.276 96.605 27.067 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 23.884 96.052 27.286 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 30.398 57.544 61.964 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 29.912 58.358 62.092 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 31.314 57.788 62.096 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 29.277 83.513 47.778 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 28.414 83.849 48.022 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 29.328 82.656 48.202 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 56.947 72.918 -20.165 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 57.628 73.570 -20.004 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 56.935 72.382 -19.372 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 75.155 82.223 59.268 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 74.822 82.643 60.061 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 74.748 82.708 58.551 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 24.178 3.695 8.540 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 23.721 3.189 9.212 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 24.898 4.119 9.007 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 41.836 94.764 32.627 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 41.970 94.715 33.573 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 41.937 95.693 32.418 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 64.607 56.419 62.155 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 65.211 57.062 61.784 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 63.997 56.938 62.680 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 75.232 92.846 65.231 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 75.681 92.044 65.498 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 75.937 93.460 65.027 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 38.256 53.388 51.422 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 38.666 54.131 51.864 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 38.233 53.640 50.499 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 56.067 92.104 29.697 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 56.092 93.060 29.723 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 56.170 91.887 28.770 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 83.093 92.211 19.605 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 83.314 92.225 20.536 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 82.194 91.883 19.576 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 45.457 38.638 51.912 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 45.520 39.426 51.373 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 44.782 38.844 52.559 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 70.784 14.497 45.076 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 70.411 14.643 45.945 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 70.106 14.798 44.471 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 25.553 92.368 -12.523 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 24.973 91.772 -12.998 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 26.419 91.965 -12.592 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 66.675 9.925 8.145 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 67.540 10.333 8.108 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 66.811 9.120 8.644 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 45.572 57.957 12.209 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 46.214 58.038 11.504 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 45.942 58.465 12.930 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 64.461 71.001 13.967 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 64.545 70.795 13.036 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 64.952 70.309 14.411 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 21.923 10.897 1.861 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 21.713 11.363 2.670 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 21.745 11.530 1.166 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 64.987 82.071 13.825 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 64.231 81.543 13.567 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 65.635 81.434 14.124 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 24.454 12.736 9.048 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 25.085 13.099 8.426 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 24.689 11.811 9.116 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 20.634 57.490 44.321 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 19.935 57.033 44.790 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 20.653 57.078 43.458 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 61.221 57.374 60.856 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 60.901 57.128 61.723 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 60.717 58.155 60.627 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 84.596 53.638 29.073 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 85.200 52.900 29.151 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 84.820 54.045 28.237 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 85.691 69.339 12.195 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 86.280 69.693 12.861 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 85.378 70.109 11.719 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 64.816 34.181 34.153 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 64.207 34.887 33.939 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 65.299 34.027 33.340 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 31.611 40.513 29.211 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 31.564 40.446 28.257 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 32.381 41.057 29.375 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 63.246 77.239 -10.269 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 63.578 76.546 -9.698 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 62.526 77.632 -9.776 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 29.729 36.867 -9.824 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 30.065 37.301 -9.040 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 29.058 37.462 -10.159 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 80.999 49.184 59.784 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 81.242 49.859 59.150 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 81.659 49.255 60.474 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 86.174 83.109 35.877 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 85.543 83.437 35.236 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 86.626 82.396 35.426 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 32.359 58.443 51.538 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 33.089 58.947 51.178 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 32.059 58.956 52.288 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 72.936 3.580 14.617 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 72.477 3.259 13.841 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 73.696 3.004 14.702 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 33.850 54.237 64.539 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 33.856 53.439 65.068 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 33.032 54.675 64.775 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 29.892 6.770 50.631 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 29.947 6.803 51.586 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 29.136 6.211 50.453 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 23.908 77.169 20.976 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 23.898 76.628 21.766 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 24.518 77.878 21.178 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 76.153 49.758 -0.459 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 75.690 50.483 -0.038 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 75.826 49.755 -1.358 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 67.023 4.026 39.849 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 66.954 4.394 38.968 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 67.376 3.146 39.714 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 27.338 67.799 42.069 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 27.957 67.811 41.339 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 26.708 68.490 41.861 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 65.859 89.178 57.133 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 64.916 89.017 57.157 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 66.105 89.030 56.220 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 69.319 50.011 62.812 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 68.907 50.789 63.189 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 70.246 50.238 62.745 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 27.296 15.936 36.960 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 28.014 15.317 36.829 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 27.728 16.761 37.184 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 75.368 72.977 25.199 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 74.709 73.340 24.607 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 75.112 72.061 25.311 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 74.217 81.615 -2.943 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 73.564 82.314 -2.973 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 73.892 80.957 -3.557 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 29.472 57.450 -7.238 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 28.741 57.317 -6.634 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 30.242 57.156 -6.751 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 45.211 56.105 -0.706 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 44.897 57.005 -0.620 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 45.843 56.003 0.006 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 46.233 9.436 54.957 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 46.156 9.881 54.114 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 45.454 8.881 55.007 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 63.491 95.821 32.430 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 62.838 95.993 33.109 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 63.008 95.897 31.608 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 34.183 50.006 -16.701 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 34.615 49.193 -16.964 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 34.745 50.365 -16.014 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 29.976 83.218 -13.645 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 30.001 84.148 -13.420 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 30.020 83.201 -14.601 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 59.312 56.704 53.402 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 59.640 55.806 53.364 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 58.734 56.782 52.643 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 70.992 38.540 1.643 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 71.629 38.566 2.358 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 71.515 38.670 0.852 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 88.594 64.618 -8.670 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 88.103 64.812 -7.872 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 87.969 64.161 -9.232 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 36.809 38.747 53.299 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 37.242 39.342 53.911 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 36.126 39.279 52.890 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 36.970 64.998 55.895 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 36.522 65.590 55.292 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 37.443 64.389 55.328 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 84.426 62.702 61.907 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 84.584 61.797 61.638 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 84.012 62.627 62.767 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 79.463 12.887 48.243 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 79.693 12.686 47.336 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 78.574 13.240 48.192 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 33.918 49.506 -12.096 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 34.673 49.028 -11.753 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 33.178 49.186 -11.581 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 60.464 80.511 44.463 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 59.829 79.831 44.691 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 61.021 80.105 43.799 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 22.663 95.903 43.820 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 23.113 96.539 43.264 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 23.193 95.863 44.616 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 71.713 60.824 -17.826 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 72.027 59.922 -17.891 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 71.834 61.055 -16.905 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 35.992 44.160 -5.039 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 36.867 43.875 -4.775 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 35.902 45.037 -4.665 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 73.163 73.953 38.259 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 72.467 73.350 38.522 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 73.502 73.586 37.443 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 79.247 84.826 17.262 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 78.664 84.549 17.969 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 79.945 85.311 17.703 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 48.656 69.551 29.113 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 48.165 68.910 29.629 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 49.355 69.042 28.702 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 73.157 67.715 49.594 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 72.555 67.417 48.912 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 73.694 68.382 49.165 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 66.226 86.957 48.357 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 65.826 86.734 47.517 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 66.630 87.812 48.212 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 80.192 69.140 43.654 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 80.104 69.353 42.725 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 80.011 69.964 44.107 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 26.357 90.532 35.739 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 26.488 89.753 35.198 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 25.423 90.524 35.948 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 64.005 10.614 -10.762 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 64.330 9.956 -10.148 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 63.223 10.217 -11.147 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 73.848 79.980 65.124 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 73.790 79.153 64.646 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 72.983 80.091 65.518 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 87.399 21.827 -2.543 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 86.828 21.173 -2.945 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 87.403 22.556 -3.163 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 46.310 78.975 39.910 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 45.772 78.196 39.770 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 45.904 79.649 39.364 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 73.128 79.465 -15.969 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 73.955 79.073 -16.251 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 73.208 80.389 -16.207 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 74.061 39.114 20.096 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 73.413 39.777 20.334 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 74.296 39.323 19.192 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 47.654 43.647 49.093 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 47.112 44.110 49.732 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 47.241 43.832 48.249 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 69.908 95.513 14.407 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 70.734 95.488 14.888 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 69.469 94.695 14.641 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 71.773 66.873 38.932 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 71.514 66.144 38.370 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 71.594 67.655 38.410 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 43.172 95.604 51.497 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 42.782 96.057 50.750 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 42.610 94.841 51.636 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 81.060 89.291 40.822 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 80.366 89.001 40.231 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 81.451 90.046 40.381 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 73.294 42.021 -3.582 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 72.693 41.903 -2.846 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 73.769 42.826 -3.378 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 87.681 86.292 66.813 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 87.562 86.105 65.882 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 87.282 85.546 67.261 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 48.086 78.575 37.230 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 48.712 78.096 37.774 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 47.984 78.032 36.448 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 20.428 12.884 -15.353 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 19.925 12.698 -16.146 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 21.304 12.547 -15.540 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 39.646 75.917 59.129 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 40.547 76.186 58.948 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 39.581 75.035 58.762 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 29.123 60.094 -1.165 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 28.921 60.150 -0.231 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 29.548 59.243 -1.268 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 51.745 64.612 52.460 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 50.948 64.545 51.933 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 52.327 65.170 51.945 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 20.243 55.822 -16.203 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 20.921 56.376 -16.591 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 19.975 55.237 -16.912 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 45.474 84.999 -15.196 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 44.658 85.185 -14.731 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 46.132 85.529 -14.746 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 85.876 4.693 43.902 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 85.754 3.794 43.597 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 86.797 4.735 44.161 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 25.496 91.660 -5.681 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 26.348 92.019 -5.928 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 25.616 91.354 -4.782 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 39.456 81.387 44.381 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 38.775 81.423 43.709 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 39.937 80.581 44.191 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 61.991 96.284 34.610 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 61.426 95.549 34.846 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 61.676 97.011 35.147 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 70.187 23.141 54.369 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 70.125 23.585 53.524 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 70.663 22.332 54.180 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 79.183 53.020 8.475 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 78.695 52.813 7.679 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 78.599 52.763 9.189 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 50.728 45.517 44.558 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 50.862 46.454 44.414 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 50.008 45.472 45.187 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 28.942 35.790 35.108 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 29.596 35.104 34.969 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 29.114 36.429 34.416 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 49.893 70.458 50.711 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 49.168 69.888 50.454 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 49.470 71.254 51.034 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 26.835 70.572 -14.612 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 26.103 70.779 -14.031 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 27.512 71.208 -14.379 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 84.928 70.421 -18.352 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 84.149 70.296 -17.809 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 84.655 70.152 -19.229 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 88.674 57.082 -6.072 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 89.083 57.583 -6.779 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 89.019 57.475 -5.270 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 26.711 44.583 56.888 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 26.754 45.139 56.110 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 25.787 44.346 56.962 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 83.703 80.971 -17.192 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 82.809 81.252 -16.996 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 84.064 80.711 -16.344 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 44.556 71.118 -2.286 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 45.174 70.397 -2.408 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 44.533 71.257 -1.340 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 89.638 85.723 -15.894 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 89.189 85.662 -16.737 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 90.442 85.217 -16.014 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 76.957 6.240 63.190 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 77.212 5.857 62.351 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 77.105 7.179 63.080 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 40.743 91.140 32.419 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 41.665 91.381 32.505 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 40.697 90.244 32.753 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 80.135 50.647 9.163 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 79.984 51.558 8.910 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 80.445 50.224 8.362 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 23.775 42.798 -3.505 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 22.940 42.360 -3.338 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 23.654 43.231 -4.350 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 65.460 49.774 57.907 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 64.680 49.291 57.635 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 65.147 50.377 58.581 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 42.819 7.133 41.845 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 43.004 6.222 41.619 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 43.641 7.594 41.676 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 77.403 82.210 30.864 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 76.889 81.494 30.490 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 77.588 82.785 30.122 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 60.660 62.324 -19.693 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 60.291 62.554 -20.546 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 60.053 62.704 -19.058 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 77.958 18.644 43.460 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 77.450 19.078 44.146 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 77.544 17.787 43.362 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 78.463 61.928 36.983 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 77.914 61.566 37.679 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 77.842 62.310 36.362 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 63.614 42.523 25.685 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 63.925 42.277 24.815 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 62.666 42.393 25.647 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 23.989 67.561 -17.081 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 23.431 67.889 -17.786 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 24.674 68.224 -16.988 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 79.119 66.816 48.602 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 78.543 66.783 47.838 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 79.986 66.602 48.257 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 70.593 77.134 -2.618 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 70.180 76.666 -3.344 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 71.488 77.296 -2.916 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 65.815 15.241 48.060 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 66.017 16.176 48.034 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 65.265 15.135 48.836 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 25.531 83.672 45.678 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 25.394 82.725 45.694 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 25.318 83.930 44.781 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 47.810 74.485 56.039 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 47.325 74.898 55.324 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 48.719 74.744 55.892 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 66.858 26.753 30.619 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 67.274 27.207 29.886 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 67.546 26.684 31.280 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 75.121 4.164 34.369 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 74.619 4.345 33.574 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 75.588 3.351 34.178 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 86.514 95.559 35.069 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 85.560 95.479 35.080 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 86.788 95.066 34.296 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 31.902 78.543 66.960 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 32.261 79.275 67.461 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 31.023 78.416 67.316 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 85.303 15.650 -1.173 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 85.519 15.224 -0.344 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 84.351 15.751 -1.150 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 85.163 95.370 15.332 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 84.802 95.456 14.449 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 85.442 94.456 15.389 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 80.871 83.027 -9.981 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 81.453 82.348 -9.641 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 81.073 83.801 -9.455 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 57.288 75.164 -10.061 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 57.366 74.851 -10.963 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 56.909 76.039 -10.143 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 62.529 94.299 42.094 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 63.062 93.520 41.929 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 61.858 94.004 42.710 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 82.177 37.984 43.174 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 82.522 37.272 43.711 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 82.197 37.642 42.280 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 83.377 63.070 51.600 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 83.061 62.309 51.114 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 82.953 63.002 52.455 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 64.221 75.059 49.268 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 63.679 74.777 48.531 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 64.132 76.012 49.281 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 67.631 1.319 16.324 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 67.985 2.097 16.755 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 66.702 1.318 16.556 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 41.849 10.262 64.608 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 41.170 10.917 64.442 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 42.622 10.599 64.156 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 32.790 47.865 14.564 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 33.389 47.128 14.447 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 33.232 48.436 15.194 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 63.069 30.039 -12.366 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 63.346 30.913 -12.091 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 62.168 30.156 -12.667 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 77.445 30.001 56.458 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 76.908 29.208 56.433 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 77.449 30.258 57.380 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 52.655 19.246 -14.733 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 53.054 18.480 -14.321 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 52.461 19.836 -14.005 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 72.017 9.738 41.537 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 71.621 10.537 41.188 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 71.427 9.037 41.260 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 32.301 69.638 47.857 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 32.226 69.205 47.007 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 32.215 70.570 47.660 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 90.922 85.620 54.834 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 90.370 86.264 54.391 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 90.347 84.868 54.975 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 41.557 83.053 -2.600 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 42.215 83.393 -3.205 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 41.777 83.449 -1.757 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 86.668 5.517 -17.335 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 87.532 5.831 -17.066 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 86.121 6.302 -17.347 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 51.432 62.095 -10.436 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 50.963 62.265 -9.619 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 50.975 62.623 -11.090 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 54.520 69.275 -8.053 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 54.779 69.648 -7.210 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 54.732 68.345 -7.979 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 46.299 52.522 47.865 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 45.968 52.383 46.977 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 47.193 52.840 47.741 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 66.957 71.800 25.222 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 66.359 71.997 25.943 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 66.422 71.314 24.594 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 24.176 13.286 -13.107 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 23.448 13.299 -13.728 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 23.987 12.545 -12.532 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 75.127 77.326 21.856 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 74.695 77.340 22.711 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 76.060 77.388 22.058 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 29.095 8.818 10.328 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 28.845 9.742 10.333 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 28.785 8.490 9.484 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 27.392 43.562 50.117 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 27.552 43.469 51.056 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 28.041 44.202 49.826 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 62.225 96.221 -6.897 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 62.539 96.276 -5.994 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 62.818 95.601 -7.320 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 74.227 79.934 40.576 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 73.271 79.910 40.628 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 74.488 79.014 40.547 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 57.696 73.153 60.425 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 57.614 72.401 61.013 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 56.800 73.470 60.313 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 71.775 3.209 0.912 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 71.447 3.529 0.071 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 72.593 3.687 1.048 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 73.019 89.533 45.115 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 72.248 90.101 45.103 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 73.005 89.128 45.983 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 35.873 67.117 3.211 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 36.115 67.806 3.830 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 35.127 66.678 3.620 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 73.888 93.332 43.021 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 73.696 94.227 43.301 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 74.142 93.417 42.103 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 64.897 96.477 35.524 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 65.523 96.692 34.832 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 64.040 96.614 35.122 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 58.926 47.281 58.569 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 58.550 48.067 58.966 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 58.556 46.557 59.073 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 22.171 83.037 -18.548 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 21.499 83.495 -19.053 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 22.551 82.413 -19.167 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 87.839 34.756 35.554 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 88.419 34.828 34.796 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 88.278 35.258 36.241 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 77.220 65.150 -17.044 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 78.166 65.089 -16.910 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 76.885 65.524 -16.229 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 65.843 1.389 54.288 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 65.767 0.492 54.613 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 64.939 1.668 54.142 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 55.420 93.358 -2.153 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 54.941 92.542 -2.008 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 55.769 93.587 -1.291 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 89.057 9.343 -3.324 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 88.229 9.660 -2.964 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 88.888 8.426 -3.543 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 26.358 94.712 43.672 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 26.015 94.917 42.802 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 25.641 94.254 44.110 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 84.378 85.080 -19.128 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 84.871 84.363 -19.528 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 84.944 85.399 -18.426 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 20.539 86.102 32.987 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 19.699 86.225 33.430 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 21.174 86.013 33.698 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 53.827 4.271 28.188 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 53.633 3.370 28.447 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 52.977 4.640 27.950 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 41.173 27.214 46.530 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 41.283 27.785 45.769 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 40.337 26.773 46.380 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 82.849 9.315 5.434 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 83.184 8.517 5.844 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 82.350 9.006 4.678 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 23.735 44.171 -1.172 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 23.549 43.763 -2.018 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 23.936 43.438 -0.591 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 21.187 61.107 40.946 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 21.345 61.544 40.109 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 21.821 61.500 41.545 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 24.324 51.075 -2.400 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 24.239 51.085 -3.354 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 24.160 51.980 -2.135 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 61.965 37.237 1.631 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 61.869 37.249 2.583 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 61.128 37.563 1.301 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 42.876 62.395 48.289 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 43.410 63.160 48.072 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 43.119 61.739 47.636 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 68.488 93.748 -16.571 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 68.966 94.259 -15.917 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 68.746 92.842 -16.402 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 77.167 39.703 39.143 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 76.644 38.987 39.504 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 77.739 39.281 38.502 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 52.000 31.914 46.954 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 52.480 31.229 46.487 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 52.319 31.859 47.854 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 88.035 48.527 -16.764 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 88.188 47.892 -16.063 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 88.013 49.374 -16.319 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 57.032 63.421 36.579 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 56.133 63.680 36.378 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 57.049 62.476 36.428 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 69.661 75.037 -18.119 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 68.941 74.716 -18.663 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 70.043 74.247 -17.736 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 69.608 83.812 28.116 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 69.403 83.151 27.455 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 69.694 83.318 28.932 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 39.725 73.332 58.079 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 39.850 72.596 58.679 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 39.671 72.929 57.213 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 34.272 56.423 12.873 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 35.099 56.755 13.221 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 34.525 55.684 12.319 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 39.973 76.612 18.271 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 40.171 75.865 18.835 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 39.161 76.972 18.626 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 61.632 77.551 22.945 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 62.148 77.079 23.598 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 62.077 77.376 22.115 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 48.237 95.095 -16.491 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 47.360 95.342 -16.783 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 48.218 94.139 -16.452 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 66.250 47.917 35.270 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 65.952 47.846 34.363 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 65.835 48.715 35.598 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 29.620 84.992 11.243 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 29.638 84.136 11.671 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 29.355 84.805 10.342 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 27.058 72.878 47.641 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 27.847 72.378 47.429 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 26.474 72.731 46.897 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 25.239 50.076 39.853 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 24.656 49.707 39.189 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 25.444 50.954 39.530 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 64.131 39.346 26.378 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 63.325 39.231 25.875 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 64.688 39.888 25.820 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 28.510 40.332 55.679 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 29.151 41.031 55.555 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 27.793 40.746 56.159 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 62.498 54.775 -7.306 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 62.468 55.285 -6.496 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 61.724 55.054 -7.795 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 75.119 69.213 44.491 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 74.954 68.270 44.459 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 75.520 69.415 43.646 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 21.597 88.154 44.104 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 21.291 88.363 44.987 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 20.800 88.124 43.575 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 79.438 92.423 44.349 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 78.683 92.191 43.809 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 80.182 92.006 43.912 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 58.933 80.928 40.402 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 59.093 80.790 39.469 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 59.673 81.459 40.697 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 29.451 79.672 47.710 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 28.987 80.411 48.104 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 29.123 78.905 48.180 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 86.535 84.665 43.079 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 85.605 84.503 43.237 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 86.566 85.549 42.714 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 56.435 13.834 63.846 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 55.801 13.521 63.201 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 56.806 13.037 64.224 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 42.101 76.818 -0.005 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 41.279 76.645 0.452 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 42.774 76.428 0.553 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 79.762 67.747 -3.883 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 79.594 68.334 -3.146 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 79.543 66.877 -3.552 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 84.219 49.901 3.357 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 83.413 50.415 3.302 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 84.048 49.128 2.818 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 25.766 20.175 66.698 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 26.385 20.324 65.984 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 26.287 20.283 67.494 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 42.719 69.479 33.948 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 42.732 68.657 33.459 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 43.561 69.889 33.751 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 58.273 43.077 -16.010 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 58.697 43.824 -15.587 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 58.987 42.465 -16.187 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 21.651 69.603 21.129 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 21.221 70.430 20.908 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 21.257 69.344 21.962 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 74.766 54.951 18.537 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 74.936 54.010 18.486 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 74.376 55.078 19.402 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 63.900 76.090 31.945 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 63.517 76.964 32.013 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 63.178 75.495 32.147 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 23.860 17.003 58.935 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 24.476 16.698 58.269 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 23.394 16.213 59.211 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 56.387 91.273 -16.199 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 57.336 91.403 -16.187 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 56.223 90.639 -15.501 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 22.867 19.482 58.093 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 23.080 18.562 58.254 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 23.613 19.966 58.447 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 48.442 58.738 65.452 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 49.362 58.972 65.331 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 48.248 58.145 64.726 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 31.987 82.140 58.417 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 31.749 81.786 57.560 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 32.082 83.081 58.271 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 66.737 25.266 12.203 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 67.342 25.037 12.908 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 65.902 25.426 12.644 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 42.519 10.649 4.143 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 42.903 11.024 4.935 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 42.581 11.348 3.492 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 34.648 85.600 2.945 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 34.657 84.676 2.696 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 34.766 85.594 3.895 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 34.620 39.902 -15.357 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 34.227 39.947 -14.486 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 35.394 39.350 -15.243 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 40.922 50.997 2.950 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 41.434 51.673 2.506 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 41.570 50.485 3.434 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 29.140 7.794 44.646 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 28.631 8.156 45.371 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 30.047 8.017 44.855 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 46.329 78.044 59.966 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 45.915 78.012 60.829 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 46.973 78.749 60.035 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 56.797 81.363 32.516 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 57.148 81.833 31.759 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 55.978 80.981 32.201 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 43.470 84.685 -6.718 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 42.635 85.088 -6.955 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 43.750 85.157 -5.934 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 64.917 77.603 20.912 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 65.750 77.888 20.536 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 64.419 77.269 20.166 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 29.095 49.738 24.410 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 28.873 49.977 23.510 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 30.045 49.623 24.401 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 30.679 66.815 54.399 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 31.214 66.848 53.606 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 29.924 66.278 54.157 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 21.899 57.956 53.689 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 21.805 58.691 54.294 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 22.809 58.001 53.396 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 44.438 10.176 61.228 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 45.045 10.892 61.040 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 44.169 10.321 62.135 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 43.501 24.780 -16.389 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 43.331 25.715 -16.277 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 42.955 24.524 -17.132 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 49.402 13.943 5.265 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 48.712 14.281 4.694 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 49.933 13.385 4.697 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 68.107 88.747 10.684 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 67.333 88.287 11.010 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 68.564 89.036 11.473 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 26.083 74.777 20.915 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 26.769 74.227 21.293 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 26.462 75.108 20.101 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 23.862 44.834 56.788 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 23.116 45.430 56.716 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 23.915 44.627 57.721 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 62.694 89.354 -3.946 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 62.967 89.812 -3.151 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 62.650 88.433 -3.689 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 38.928 13.782 10.136 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 38.840 13.225 9.363 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 39.798 13.582 10.479 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 49.473 13.785 49.713 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 50.081 14.465 50.003 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 48.920 14.219 49.063 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 32.434 94.479 39.775 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 31.973 93.640 39.802 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 33.359 94.242 39.701 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 69.786 62.504 -14.939 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 69.887 63.417 -15.207 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 69.661 62.026 -15.759 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 68.373 16.724 41.397 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 69.123 17.015 40.878 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 67.633 16.759 40.792 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 48.207 22.732 2.563 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 48.161 23.009 3.478 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 48.849 23.320 2.166 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 57.175 86.499 10.773 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 56.746 86.929 10.033 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 57.064 87.109 11.502 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 49.561 85.789 -15.245 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 49.872 86.449 -14.625 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 48.969 85.238 -14.733 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 75.822 95.384 32.576 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 76.087 94.524 32.903 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 74.919 95.487 32.877 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 73.657 69.275 66.241 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 73.362 69.439 67.136 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 73.346 70.032 65.743 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 25.955 41.582 54.525 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 25.951 41.122 55.364 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 25.314 42.284 54.632 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 30.850 33.933 62.228 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 31.592 33.499 61.806 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 30.689 34.709 61.691 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 33.314 4.270 -3.749 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 32.807 4.821 -3.152 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 34.226 4.433 -3.510 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 28.351 57.210 1.672 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 29.047 56.556 1.601 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 27.828 56.924 2.420 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 82.807 21.475 35.248 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 83.674 21.881 35.248 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 82.935 20.634 34.809 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 38.238 38.873 -11.211 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 37.355 38.760 -11.563 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 38.335 39.819 -11.106 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 67.974 51.885 8.265 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 67.950 52.751 8.673 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 67.252 51.408 8.673 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 22.408 30.270 27.408 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 22.508 31.079 26.906 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 22.901 29.617 26.911 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 71.169 91.723 43.765 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 71.832 92.400 43.634 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 70.701 91.995 44.555 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 79.870 51.796 35.769 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 80.543 51.664 35.100 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 79.764 52.746 35.818 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 65.467 16.105 10.059 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 65.188 15.789 10.918 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 65.277 15.380 9.463 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 88.429 58.297 -16.965 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 88.419 58.168 -17.914 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 87.679 57.794 -16.647 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 23.777 8.896 -14.631 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 24.632 8.856 -14.201 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 23.159 9.064 -13.919 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 26.040 86.709 45.929 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 26.884 86.266 45.846 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 25.494 86.318 45.247 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 38.244 51.911 12.787 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 38.509 51.530 13.624 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 37.535 52.513 13.011 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 60.075 84.677 47.764 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 59.228 85.123 47.761 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 59.958 83.936 47.170 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 61.434 9.376 -15.061 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 61.699 9.147 -14.170 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 61.896 8.749 -15.617 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 72.509 90.816 58.512 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 72.110 89.948 58.445 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 71.921 91.307 59.086 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 32.072 82.885 61.110 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 32.497 82.029 61.165 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 31.756 82.937 60.208 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 61.214 33.026 5.203 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 61.362 33.824 5.710 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 62.058 32.845 4.790 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 38.767 1.153 65.233 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 38.623 1.512 64.357 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 38.676 1.904 65.819 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 71.652 91.576 10.088 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 70.983 91.104 9.593 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 71.575 92.483 9.793 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 68.953 -0.212 41.227 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 69.031 0.739 41.152 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 68.096 -0.412 40.850 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 47.968 80.009 22.013 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 48.375 79.372 22.599 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 47.906 79.556 21.172 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 65.827 50.603 61.478 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 66.326 51.334 61.116 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 64.966 50.673 61.066 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 78.671 20.078 61.834 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 78.929 20.792 61.251 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 79.461 19.545 61.926 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 83.715 69.732 -1.482 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 83.623 69.409 -2.379 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 83.932 68.955 -0.968 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 41.367 30.981 58.686 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 40.460 30.919 58.385 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 41.373 31.734 59.277 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 23.685 44.029 -11.244 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 23.615 44.961 -11.449 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 22.952 43.625 -11.710 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 27.813 91.598 54.800 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 28.637 91.954 55.132 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 27.203 91.681 55.533 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 44.792 41.096 -3.473 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 44.976 41.459 -2.606 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 45.656 40.925 -3.849 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 66.826 5.461 15.170 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 66.463 6.341 15.064 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 67.773 5.595 15.204 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 55.065 3.826 -1.286 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 54.654 4.442 -1.893 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 55.868 4.265 -1.006 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 68.851 28.504 13.145 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 69.480 28.207 13.802 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 68.004 28.471 13.591 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 68.295 64.257 25.067 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 68.732 64.309 24.217 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 67.492 64.766 24.956 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 76.929 42.160 -12.349 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 77.161 42.496 -11.483 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 76.083 42.563 -12.543 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 22.038 77.608 58.884 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 21.364 78.279 58.779 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 22.224 77.312 57.992 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 67.851 45.901 -3.923 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 67.643 46.680 -3.408 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 67.336 45.202 -3.520 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 58.581 22.145 32.190 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 59.495 22.428 32.157 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 58.101 22.830 31.725 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 73.830 22.843 34.766 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 74.421 22.162 35.085 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 74.062 22.949 33.843 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 86.183 80.274 12.413 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 85.895 79.404 12.135 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 85.586 80.510 13.122 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 90.447 47.084 -14.895 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 90.102 46.209 -14.719 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 91.050 46.961 -15.628 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 36.036 90.313 24.598 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 35.898 89.376 24.736 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 35.225 90.723 24.900 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 44.177 22.052 56.383 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 43.564 22.439 55.758 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 44.792 22.757 56.584 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 35.083 48.412 0.241 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 34.890 47.803 0.954 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 35.701 49.037 0.619 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 25.648 55.960 16.616 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 25.605 55.005 16.564 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 26.467 56.188 16.176 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 30.348 37.673 13.476 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 29.607 37.972 12.950 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 30.855 38.466 13.649 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 71.914 49.214 54.094 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 71.080 48.746 54.062 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 71.755 50.022 53.607 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 58.174 1.727 33.745 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 58.044 0.811 33.503 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 59.078 1.917 33.493 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 76.061 86.870 53.928 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 76.271 87.466 54.646 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 76.900 86.473 53.692 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 48.653 40.990 35.986 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 48.469 40.060 36.117 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 48.181 41.219 35.186 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 56.219 91.397 35.426 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 55.369 91.520 35.003 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 56.008 91.033 36.286 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 50.909 33.552 -11.834 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 50.210 33.401 -11.198 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 51.706 33.265 -11.387 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 63.587 68.883 2.359 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 64.336 68.292 2.281 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 63.623 69.198 3.262 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 86.408 89.448 58.900 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 87.289 89.210 58.609 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 86.282 88.955 59.711 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 34.089 62.205 13.803 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 34.793 62.258 13.156 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 34.429 61.619 14.479 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 50.819 6.518 10.174 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 51.102 6.861 11.021 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 49.882 6.709 10.138 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 83.044 70.588 -8.971 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 82.467 71.002 -8.330 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 83.369 69.803 -8.530 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 51.854 58.626 55.812 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 52.764 58.364 55.677 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 51.797 58.826 56.746 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 85.456 44.195 63.670 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 84.538 44.261 63.933 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 85.691 43.283 63.842 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 74.381 80.335 21.634 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 73.862 80.414 22.435 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 74.307 79.412 21.391 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 44.016 81.604 12.545 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 43.233 81.858 13.034 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 44.506 81.047 13.150 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 62.476 42.944 62.364 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 63.322 43.059 62.796 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 61.924 43.636 62.728 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 38.101 22.135 7.896 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 38.173 21.464 8.575 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 37.161 22.215 7.735 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 48.512 41.319 20.422 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 48.753 42.163 20.042 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 48.996 40.675 19.904 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 67.561 50.716 0.539 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 67.103 51.308 1.136 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 67.573 51.181 -0.297 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 73.766 95.960 66.316 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 74.006 96.559 67.023 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 74.390 95.238 66.391 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 39.870 48.863 18.942 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 40.460 49.584 19.159 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 40.407 48.076 19.041 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 88.893 92.082 -2.080 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 88.507 92.777 -1.546 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 89.834 92.153 -1.921 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 25.086 67.368 -14.194 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 25.202 67.661 -15.098 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 25.405 68.098 -13.663 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 81.747 9.805 49.224 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 81.581 9.344 48.402 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 81.487 9.184 49.904 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 49.437 52.979 -7.199 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 49.118 53.882 -7.219 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 49.641 52.816 -6.278 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 84.892 46.163 34.667 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 84.578 45.434 35.202 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 84.853 46.922 35.249 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 38.801 52.358 1.879 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 39.321 53.137 1.682 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 39.371 51.822 2.431 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 44.312 49.284 34.019 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 44.120 48.386 33.746 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 44.724 49.190 34.878 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 86.306 7.349 66.648 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 86.011 7.682 67.495 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 86.766 8.087 66.247 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 87.780 38.119 52.804 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 87.209 37.351 52.816 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 87.521 38.622 53.576 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 27.914 4.856 50.133 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 28.072 4.875 49.189 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 27.004 4.571 50.218 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 66.328 56.933 -5.904 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 65.475 57.144 -5.524 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 66.529 57.679 -6.469 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 66.430 37.362 5.727 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 66.099 36.798 6.426 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 66.727 38.153 6.177 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 27.895 62.450 -5.864 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 27.812 62.903 -5.025 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 27.096 62.679 -6.340 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 84.782 57.176 22.662 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 84.794 57.667 21.840 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 84.265 57.719 23.258 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 72.329 34.476 60.032 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 71.432 34.722 60.260 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 72.259 34.104 59.152 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 74.036 2.875 31.337 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 73.480 2.353 31.915 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 74.230 2.293 30.602 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 26.743 46.569 1.413 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 26.830 47.187 0.687 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 27.010 47.067 2.185 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 54.501 75.570 51.874 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 54.955 74.794 51.546 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 53.585 75.433 51.631 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 33.148 15.483 35.757 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 33.128 15.764 34.843 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 33.978 15.821 36.094 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 40.313 21.382 30.781 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 41.249 21.581 30.803 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 39.979 21.882 30.036 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 56.628 33.169 41.484 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 56.067 33.854 41.848 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 57.039 33.575 40.721 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 38.629 21.411 32.875 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 39.308 21.315 32.208 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 38.807 22.260 33.280 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 60.745 28.557 -6.851 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 60.131 28.657 -6.124 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 60.847 29.441 -7.202 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 27.353 89.397 50.374 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 28.266 89.126 50.472 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 27.356 89.984 49.618 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 55.162 78.944 3.487 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 55.926 79.513 3.587 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 55.141 78.427 4.292 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 27.818 44.352 36.270 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 27.634 43.956 35.418 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 28.632 43.938 36.557 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 70.566 46.687 58.039 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 71.128 46.607 57.268 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 70.736 47.569 58.370 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 89.363 79.920 -17.225 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 89.092 80.816 -17.029 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 90.320 79.954 -17.230 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 28.098 65.737 31.310 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 27.934 66.584 31.725 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 28.696 65.936 30.589 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 38.271 41.468 -11.245 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 38.528 42.039 -10.521 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 38.304 42.032 -12.019 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 37.315 34.410 63.332 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 37.773 33.590 63.146 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 37.801 35.073 62.843 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 66.370 18.312 4.451 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 66.094 18.331 5.368 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 66.865 19.123 4.333 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 55.498 0.491 -12.556 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 54.615 0.421 -12.918 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 55.946 1.108 -13.134 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 82.038 95.419 51.097 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 81.250 95.900 51.352 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 82.751 95.870 51.552 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 41.921 38.500 -2.077 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 42.233 38.859 -1.246 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 41.870 39.257 -2.661 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 74.445 2.322 -10.112 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 74.611 1.436 -9.790 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 74.508 2.875 -9.334 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 79.365 58.118 25.505 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 79.621 58.996 25.224 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 78.432 58.062 25.300 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 80.597 22.286 12.204 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 79.765 22.638 12.519 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 81.251 22.924 12.489 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 74.728 48.987 15.459 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 74.146 49.736 15.581 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 74.151 48.224 15.506 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 50.644 76.109 -13.819 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 51.483 75.684 -13.640 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 50.067 75.806 -13.119 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 75.096 87.550 -16.441 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 75.557 88.173 -17.002 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 74.444 88.078 -15.981 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 74.752 5.842 56.803 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 74.256 6.599 56.491 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 75.607 5.926 56.382 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 26.465 72.438 -16.699 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 26.604 72.434 -15.752 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 27.044 71.751 -17.030 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 31.931 87.708 61.945 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 31.510 86.849 61.989 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 31.333 88.242 61.422 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 36.685 78.711 7.583 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 37.626 78.592 7.718 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 36.623 79.396 6.918 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 58.208 33.656 35.399 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 57.542 33.058 35.059 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 57.719 34.279 35.937 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 90.030 75.934 21.001 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 90.000 75.436 20.185 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 89.127 76.220 21.142 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 22.817 78.969 43.378 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 22.707 78.780 42.446 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 23.714 79.294 43.453 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 77.464 95.395 67.046 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 78.354 95.062 66.935 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 77.065 95.308 66.181 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 26.915 16.596 -6.200 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 26.889 15.858 -6.809 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 27.344 16.248 -5.419 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 85.946 81.619 9.226 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 86.880 81.661 9.022 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 85.703 80.710 9.048 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 25.732 5.899 12.140 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 26.523 6.371 12.400 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 25.257 5.759 12.959 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 69.955 76.074 5.117 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 70.419 75.441 4.569 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 70.210 75.848 6.012 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 54.679 20.389 40.320 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 54.888 20.844 41.135 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 53.816 20.005 40.473 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 77.163 36.107 0.316 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 76.958 36.377 -0.580 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 77.516 35.222 0.224 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 83.516 83.947 44.342 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 82.974 83.208 44.066 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 83.002 84.721 44.111 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 21.522 87.166 -0.241 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 21.549 87.357 -1.179 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 22.411 87.341 0.065 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 35.795 28.809 20.914 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 36.498 28.226 20.627 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 35.920 29.607 20.399 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 82.078 83.106 8.404 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 82.511 82.639 9.119 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 81.388 82.511 8.111 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 20.275 80.418 29.311 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 20.922 79.714 29.278 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 20.479 80.968 28.555 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 70.696 85.960 47.636 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 71.513 86.442 47.505 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 70.504 85.577 46.780 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 26.832 2.369 64.390 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 27.785 2.440 64.450 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 26.522 2.534 65.280 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 67.395 45.323 -14.579 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 68.318 45.565 -14.498 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 66.922 46.151 -14.503 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 85.419 64.921 56.320 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 84.844 64.853 55.558 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 85.192 64.164 56.860 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 53.218 8.932 43.657 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 53.068 8.531 42.801 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 52.732 8.380 44.269 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 61.917 38.268 -11.012 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 62.286 38.710 -10.247 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 62.421 38.608 -11.752 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 42.203 6.099 57.984 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 41.258 6.028 58.114 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 42.309 6.188 57.037 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 43.781 29.203 52.019 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 44.142 29.895 51.465 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 43.897 29.525 52.912 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 24.006 91.277 40.792 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 24.662 91.638 40.196 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 24.515 90.890 41.503 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 32.810 29.306 27.225 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 33.330 29.050 26.463 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 32.970 30.245 27.321 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 22.495 41.240 4.644 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 22.247 41.920 5.270 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 23.395 41.455 4.401 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 50.169 35.952 37.543 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 49.410 36.001 36.962 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 50.623 36.785 37.416 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 36.624 34.257 58.339 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 35.720 34.299 58.026 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 36.681 33.417 58.795 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 80.086 23.534 -6.968 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 80.624 22.853 -6.565 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 79.244 23.474 -6.516 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 38.600 88.120 0.761 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 39.125 87.789 1.490 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 39.032 88.935 0.505 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 87.479 73.195 11.482 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 88.399 73.423 11.612 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 87.015 73.664 12.176 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 23.065 63.309 48.900 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 22.751 62.702 48.230 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 23.215 62.761 49.670 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 40.379 3.094 21.034 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 39.566 3.464 20.691 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 40.237 3.034 21.978 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 36.941 41.236 31.280 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 37.751 41.341 31.780 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 37.170 41.513 30.392 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 55.912 81.027 8.455 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 56.542 80.361 8.179 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 55.702 80.797 9.361 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 75.375 28.057 39.714 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 75.813 28.908 39.680 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 75.611 27.632 38.890 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 80.437 73.708 2.461 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 80.057 74.283 1.797 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 79.686 73.391 2.963 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 57.343 79.170 1.231 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 57.255 78.393 0.678 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 58.084 78.974 1.804 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 60.898 24.524 23.057 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 60.412 24.295 22.265 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 60.234 24.868 23.655 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 59.108 37.465 23.712 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 58.244 37.193 24.019 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 58.992 38.377 23.445 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 41.867 50.082 39.941 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 41.303 50.840 40.092 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 41.499 49.659 39.165 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 73.517 59.332 30.504 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 72.810 59.043 29.926 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 73.625 58.612 31.126 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 66.988 54.536 0.298 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 66.353 55.127 -0.107 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 66.854 54.649 1.239 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 74.799 56.193 30.098 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 74.857 56.930 29.491 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 74.568 55.445 29.547 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 38.059 87.708 12.747 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 37.750 88.608 12.643 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 38.485 87.699 13.605 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 79.701 58.404 -7.168 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 78.762 58.583 -7.223 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 80.079 59.210 -6.816 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 44.874 77.979 55.282 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 44.216 78.420 55.818 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 45.592 77.795 55.887 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 46.374 93.897 44.706 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 47.074 94.451 44.362 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 46.512 93.896 45.653 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 50.717 3.627 38.330 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 50.601 3.816 39.261 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 51.607 3.279 38.265 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 39.901 12.980 48.590 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 40.057 13.216 49.505 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 40.608 13.410 48.108 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 44.466 45.468 -12.139 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 44.471 45.438 -13.096 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 44.824 46.330 -11.925 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 21.228 32.752 2.656 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 20.494 33.364 2.602 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 21.855 33.179 3.238 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 87.779 6.396 53.462 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 86.908 6.794 53.449 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 87.708 5.646 52.871 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 85.874 91.843 2.084 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 85.001 91.489 2.253 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 86.472 91.191 2.451 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 62.140 25.999 -4.631 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 62.714 25.275 -4.379 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 61.259 25.626 -4.609 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 58.666 27.431 11.724 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 58.572 26.937 12.539 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 57.775 27.700 11.502 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 76.130 47.969 9.743 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 75.756 48.839 9.606 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 75.384 47.422 9.987 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 81.286 50.209 2.407 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 81.112 51.147 2.492 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 80.486 49.851 2.023 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 42.554 65.140 -1.665 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 43.095 65.069 -0.879 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 42.112 64.294 -1.729 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 21.120 91.991 64.278 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 20.618 92.331 63.537 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 20.681 91.172 64.509 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 38.571 47.750 -5.404 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 38.522 47.128 -6.130 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 38.737 47.207 -4.634 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 24.967 76.622 32.429 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 25.575 76.326 33.107 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 25.472 76.575 31.617 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 37.795 62.103 47.653 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 37.785 62.632 46.855 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 38.590 61.574 47.580 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 25.344 63.107 21.048 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 24.402 63.231 21.170 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 25.729 63.954 21.273 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 31.461 1.063 7.266 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 30.560 1.381 7.334 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 31.418 0.358 6.620 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 36.530 80.298 -4.379 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 35.667 79.886 -4.404 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 37.028 79.776 -3.750 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 71.357 60.491 -9.732 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 71.253 60.483 -8.781 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 71.723 59.632 -9.940 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 47.813 83.908 -14.603 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 47.630 83.458 -13.778 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 46.954 84.023 -15.009 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 28.378 25.045 42.976 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 28.082 25.450 42.161 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 29.301 25.290 43.045 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 72.317 64.928 20.784 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 71.365 64.855 20.859 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 72.637 64.035 20.911 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 74.659 80.832 36.951 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 74.815 81.668 37.389 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 73.813 80.538 37.289 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 38.533 44.009 -12.498 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 37.900 44.668 -12.212 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 39.165 44.497 -13.025 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 53.641 71.506 8.364 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 53.061 72.267 8.343 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 53.426 71.063 9.184 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 79.339 7.316 2.274 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 79.769 8.032 1.806 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 79.432 7.545 3.199 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 49.258 32.577 -0.224 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 49.148 31.776 -0.736 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 48.368 32.825 0.027 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 71.173 36.377 34.473 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 71.464 37.219 34.823 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 70.834 36.583 33.602 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 90.019 91.409 2.545 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 90.408 91.889 3.276 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 89.719 90.586 2.931 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 72.521 33.226 28.413 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 72.052 33.400 29.229 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 71.970 32.595 27.950 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 21.675 73.297 14.501 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 21.029 73.143 15.191 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 22.356 72.643 14.659 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 87.236 82.802 -13.818 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 87.277 81.928 -13.428 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 87.186 83.396 -13.069 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 34.575 95.170 -2.292 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 34.357 94.856 -3.170 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 35.411 95.624 -2.401 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 25.601 93.773 2.279 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 25.510 94.083 1.378 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 24.841 93.208 2.416 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 59.648 59.663 60.076 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 59.999 59.460 59.209 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 59.707 60.616 60.142 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 63.093 75.653 59.725 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 62.325 75.216 59.357 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 62.832 76.570 59.806 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 20.642 12.246 33.540 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 20.735 12.780 32.751 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 21.008 12.786 34.240 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 63.472 31.531 50.749 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 64.044 30.763 50.764 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 64.063 32.272 50.885 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 62.592 1.296 58.224 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 63.512 1.094 58.056 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 62.233 0.489 58.594 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 42.669 77.962 -10.033 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 43.545 77.646 -9.811 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 42.357 77.355 -10.703 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 59.201 2.707 -18.496 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 58.367 2.362 -18.815 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 59.857 2.094 -18.828 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 34.435 38.404 16.663 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 33.514 38.443 16.921 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 34.884 38.047 17.429 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 79.560 60.341 55.202 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 79.080 60.304 54.375 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 80.326 59.784 55.060 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 84.487 22.082 -1.820 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 85.069 21.817 -2.533 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 84.857 21.668 -1.041 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 52.323 39.609 34.418 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 53.022 39.161 33.943 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 51.634 39.739 33.766 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 62.424 92.267 9.197 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 61.745 91.642 8.944 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 62.321 92.363 10.144 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 26.013 93.056 31.056 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 26.286 93.432 31.893 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 26.827 92.763 30.647 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 29.205 9.760 62.757 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 28.689 10.150 62.051 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 30.023 9.493 62.337 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 26.252 39.198 29.844 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 26.626 38.410 29.448 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 27.012 39.720 30.104 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 41.987 15.409 -7.083 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 41.051 15.349 -7.274 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 42.111 16.305 -6.769 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 72.961 79.959 -10.700 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 72.857 79.350 -11.430 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 72.067 80.199 -10.457 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 20.419 81.039 51.506 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 20.467 81.960 51.761 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 21.328 80.738 51.520 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 69.520 23.712 7.055 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 68.878 23.761 7.763 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 69.188 24.315 6.389 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 80.464 46.675 13.833 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 80.692 46.143 13.071 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 79.735 47.220 13.536 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 29.726 89.649 -14.153 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 29.782 88.846 -14.670 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 29.902 89.370 -13.255 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 68.030 66.970 -1.439 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 67.897 66.038 -1.269 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 68.789 67.205 -0.905 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 63.518 47.663 39.971 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 63.986 48.498 39.967 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 63.243 47.538 39.063 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 68.286 77.628 31.603 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 67.781 77.008 32.130 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 68.070 78.485 31.969 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 66.781 24.328 -16.030 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 66.914 23.421 -15.754 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 66.825 24.296 -16.986 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 58.847 38.131 -15.280 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 59.271 37.854 -14.468 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 57.924 37.909 -15.157 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 84.202 28.029 64.192 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 84.520 28.433 63.384 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 84.705 28.453 64.887 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 73.151 1.860 56.678 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 73.617 2.629 56.349 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 73.753 1.131 56.524 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 29.856 49.943 21.525 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 30.128 50.858 21.451 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 29.237 49.818 20.805 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 24.898 79.121 62.863 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 25.455 79.879 62.690 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 24.834 78.673 62.019 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 47.463 7.204 33.785 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 47.738 7.089 34.695 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 48.151 6.781 33.271 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 26.519 13.269 46.785 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 26.517 14.203 46.994 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 27.291 12.925 47.235 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 36.130 24.808 46.980 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 36.206 25.714 47.281 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 35.667 24.358 47.687 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 25.897 10.072 9.325 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 26.642 9.495 9.161 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 26.031 10.389 10.218 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 41.679 12.550 -15.337 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 42.262 12.318 -14.614 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 41.666 11.772 -15.894 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 62.073 6.920 35.967 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 61.605 7.087 36.786 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 62.801 7.541 35.975 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 77.539 66.881 59.886 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 77.574 66.400 59.060 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 77.600 66.205 60.561 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 89.687 11.521 7.785 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 89.667 10.966 7.005 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 90.053 12.351 7.480 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 62.291 38.015 -17.896 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 62.085 37.660 -18.761 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 61.552 38.588 -17.690 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 20.922 28.286 -0.418 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 21.853 28.078 -0.334 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 20.686 27.975 -1.292 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 35.523 36.793 54.950 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 34.708 37.240 55.177 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 35.257 35.895 54.752 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 83.453 70.340 66.537 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 83.231 69.771 65.800 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 82.639 70.803 66.736 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 90.858 23.585 11.235 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 89.995 23.373 11.590 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 90.801 23.347 10.309 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 90.100 85.242 57.436 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 90.673 84.538 57.741 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 90.661 85.789 56.887 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 46.183 69.070 -16.836 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 45.999 70.009 -16.857 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 45.797 68.768 -16.014 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 70.543 37.675 43.279 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 70.324 38.195 42.505 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 70.455 38.285 44.011 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 80.887 59.129 7.802 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 80.207 58.579 8.192 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 80.757 59.990 8.200 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 36.249 69.456 37.936 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 36.560 70.276 37.553 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 37.040 69.029 38.264 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 85.708 54.065 -6.927 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 85.813 53.233 -6.466 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 85.957 54.729 -6.285 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 26.311 13.567 7.092 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 25.609 13.806 6.487 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 27.098 13.958 6.713 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 58.254 15.920 57.904 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 57.643 16.651 57.801 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 59.117 16.332 57.941 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 88.145 33.784 -1.044 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 88.151 32.967 -0.546 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 88.764 34.351 -0.583 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 43.211 74.939 29.416 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 43.622 75.307 28.634 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 43.847 75.089 30.115 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 66.616 43.315 56.511 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 66.105 44.116 56.394 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 66.300 42.727 55.826 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 87.233 35.702 50.437 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 87.299 36.032 49.541 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 88.111 35.816 50.800 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 67.195 21.571 -15.031 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 67.152 21.782 -14.098 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 68.127 21.446 -15.207 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 37.362 62.655 31.439 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 38.018 63.147 31.932 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 37.640 61.742 31.515 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 66.849 53.654 14.326 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 66.138 53.261 14.832 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 66.420 54.316 13.784 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 33.463 34.981 66.622 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 33.212 35.849 66.305 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 33.031 34.902 67.472 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 30.916 51.216 49.850 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 30.443 51.986 50.166 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 31.724 51.567 49.476 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 86.536 75.045 43.375 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 86.889 74.422 44.011 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 86.371 74.521 42.592 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 59.154 36.830 36.439 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 59.722 36.173 36.037 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 58.350 36.354 36.649 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 52.698 61.712 0.769 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 53.407 61.118 1.015 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 52.761 62.433 1.395 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 79.225 31.539 4.495 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 79.508 30.642 4.320 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 79.341 31.648 5.439 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 57.883 21.825 -19.504 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 57.605 22.630 -19.068 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 57.696 21.132 -18.870 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 42.552 46.998 11.869 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 43.046 46.404 12.435 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 42.661 47.859 12.272 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 34.127 48.117 24.134 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 34.010 47.722 23.269 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 33.415 48.753 24.205 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 77.650 13.865 2.574 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 77.319 12.970 2.656 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 77.963 14.086 3.451 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 20.595 31.139 14.428 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 21.038 30.639 13.743 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 19.947 30.533 14.787 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 39.245 51.311 5.115 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 39.787 51.168 4.339 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 39.488 50.603 5.711 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 70.307 53.171 61.982 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 70.008 54.007 62.339 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 70.123 53.231 61.044 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 32.372 61.410 -13.705 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 33.296 61.386 -13.954 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 32.284 60.723 -13.044 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 29.196 88.174 5.653 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 29.891 88.397 6.272 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 29.660 87.894 4.864 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 64.143 78.441 63.667 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 63.683 77.709 64.076 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 64.848 78.031 63.164 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 60.290 11.220 38.358 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 59.351 11.282 38.535 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 60.565 12.124 38.204 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 64.661 25.203 56.375 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 64.163 24.867 57.120 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 64.575 26.154 56.438 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 35.260 62.166 26.832 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 36.086 62.061 26.360 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 35.451 62.814 27.510 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 53.374 1.810 -0.858 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 53.002 1.904 -1.735 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 53.993 2.535 -0.781 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 59.232 82.040 -13.089 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 59.640 81.591 -12.348 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 58.339 81.697 -13.116 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 78.859 35.767 -13.946 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 79.222 35.242 -14.659 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 79.563 35.814 -13.300 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 46.701 51.980 24.714 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 46.437 51.078 24.536 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 47.657 51.964 24.673 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 79.216 83.715 -17.920 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 78.921 82.898 -18.322 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 80.161 83.604 -17.815 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 60.380 28.849 51.009 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 59.953 29.641 50.681 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 60.263 28.889 51.958 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 63.809 3.734 43.387 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 64.310 4.408 42.928 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 63.070 4.205 43.773 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 79.764 63.657 9.458 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 79.474 64.037 8.629 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 80.106 62.796 9.220 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 60.850 41.215 0.320 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 60.225 41.478 0.996 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 61.597 40.867 0.807 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 86.186 60.993 -16.189 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 86.704 60.298 -16.594 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 85.317 60.905 -16.582 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 88.832 82.867 59.750 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 89.170 82.389 60.507 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 89.615 83.177 59.293 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 31.619 13.839 61.681 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 30.743 13.904 61.300 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 31.553 13.121 62.311 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 83.208 34.442 34.160 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 82.507 33.983 34.624 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 83.930 34.474 34.787 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 33.774 8.468 16.988 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 33.024 9.033 16.805 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 33.584 8.086 17.845 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 71.813 19.236 -1.686 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 72.705 19.160 -2.024 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 71.913 19.677 -0.842 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 54.234 54.056 -12.003 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 54.440 54.075 -11.069 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 55.027 54.380 -12.430 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 35.973 83.753 19.443 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 36.573 83.138 19.864 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 35.783 83.358 18.591 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 59.475 77.359 38.233 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 60.314 76.899 38.234 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 58.819 76.662 38.215 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 30.030 64.281 24.719 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 30.069 63.785 23.901 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 30.417 63.698 25.372 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 26.843 91.826 -19.107 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 27.462 91.350 -19.661 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 26.954 91.441 -18.238 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 88.617 88.715 56.337 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 88.687 89.321 55.600 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 89.241 89.047 56.982 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 87.628 88.706 -13.334 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 87.797 88.934 -12.420 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 88.100 87.884 -13.468 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 70.304 32.881 13.245 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 69.738 32.740 12.486 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 69.888 32.385 13.950 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 74.860 40.639 35.216 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 73.952 40.930 35.132 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 75.355 41.224 34.642 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 76.259 73.066 -4.272 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 75.892 73.637 -3.597 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 76.193 72.185 -3.902 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 70.660 74.554 52.129 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 71.118 74.959 51.392 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 69.784 74.365 51.793 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 22.192 73.268 45.562 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 21.408 72.983 46.031 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 22.097 72.894 44.686 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 66.834 92.012 31.843 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 66.240 91.741 31.143 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 66.429 92.799 32.209 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 85.826 60.802 -11.077 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 86.711 61.062 -11.332 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 85.467 60.377 -11.856 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 25.160 66.011 10.735 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 25.181 66.390 9.857 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 26.076 65.813 10.933 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 70.368 86.840 66.172 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 70.829 86.253 66.771 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 70.452 87.706 66.572 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 31.001 35.241 12.365 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 30.180 34.755 12.285 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 30.757 36.054 12.807 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 33.400 4.875 35.538 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 32.963 4.062 35.793 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 32.700 5.420 35.177 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 45.234 49.292 44.787 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 45.120 49.888 44.046 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 46.152 49.394 45.038 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 90.179 37.344 6.034 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 91.134 37.379 6.082 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 89.896 37.240 6.942 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 33.724 34.136 57.565 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 33.160 33.370 57.669 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 33.324 34.633 56.851 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 28.983 84.137 24.117 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 28.326 84.287 24.797 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 28.568 83.518 23.516 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 60.234 19.406 36.913 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 60.948 19.554 36.292 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 59.672 20.174 36.820 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 29.437 55.443 -4.115 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 29.642 54.573 -4.458 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 29.558 55.363 -3.169 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 77.228 58.369 57.082 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 76.988 57.639 57.652 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 77.892 58.007 56.495 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 24.234 0.598 8.851 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 24.843 -0.100 8.608 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 24.129 1.114 8.052 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 55.380 71.611 -11.806 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 54.796 70.864 -11.938 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 55.486 71.667 -10.856 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 83.981 87.848 23.838 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 84.029 87.203 23.133 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 83.151 87.662 24.277 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 42.582 8.222 44.209 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 42.968 8.032 43.354 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 41.702 8.542 44.009 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 75.077 43.425 3.851 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 74.447 43.351 3.134 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 74.557 43.719 4.598 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 65.748 25.208 -5.302 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 65.883 24.750 -4.472 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 66.097 24.612 -5.965 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 89.502 62.007 24.528 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 89.668 61.188 24.061 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 88.654 62.305 24.197 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 63.902 43.093 39.680 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 64.528 43.600 39.163 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 63.095 43.110 39.166 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 71.488 53.141 -18.289 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 70.934 53.887 -18.517 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 71.077 52.765 -17.510 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 79.460 69.056 23.656 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 79.866 69.175 22.797 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 78.631 69.532 23.597 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 83.951 36.415 62.063 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 83.517 37.266 61.997 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 84.883 36.625 62.121 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 82.700 34.821 54.959 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 82.241 35.132 54.178 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 83.205 35.578 55.257 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 90.531 69.133 64.163 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 90.591 69.076 65.117 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 89.801 69.731 64.004 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 23.555 63.899 45.219 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 24.241 63.331 45.570 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 23.653 64.719 45.702 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 57.090 1.326 62.315 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 57.082 1.895 63.085 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 58.014 1.257 62.077 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 35.696 83.243 26.525 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 36.148 83.103 27.357 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 36.246 82.805 25.876 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 33.461 31.988 27.436 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 34.062 32.318 28.103 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 33.379 32.708 26.810 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 70.346 48.713 13.595 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 71.001 49.362 13.338 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 69.523 49.202 13.627 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 49.899 44.872 -0.156 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 49.730 45.649 0.377 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 50.786 44.605 0.084 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 75.822 66.570 -18.821 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 76.192 66.406 -17.953 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 75.732 65.701 -19.212 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 84.641 48.201 37.079 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 84.309 49.098 37.098 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 85.287 48.169 37.785 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 46.560 89.102 -5.900 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 45.703 89.361 -6.239 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 47.157 89.222 -6.638 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 63.628 48.775 27.432 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 62.672 48.736 27.417 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 63.834 49.687 27.228 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 38.943 48.439 46.908 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 39.415 48.103 47.670 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 39.329 49.300 46.747 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 42.403 42.558 22.681 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 42.343 42.878 23.581 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 43.304 42.746 22.418 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 72.319 68.692 0.909 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 72.060 69.339 1.564 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 72.763 68.008 1.409 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 31.538 4.724 8.874 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 32.115 5.458 8.663 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 31.686 4.564 9.806 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 52.592 86.228 5.279 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 52.354 86.528 4.402 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 52.542 85.273 5.229 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 79.366 80.040 66.415 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 79.034 79.143 66.374 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 80.137 80.037 65.847 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 24.813 58.500 54.706 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 25.083 59.397 54.508 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 25.361 57.955 54.142 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 70.273 52.681 -3.410 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 70.128 53.350 -4.080 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 69.844 53.028 -2.628 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 34.197 47.640 46.738 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 34.987 47.126 46.905 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 34.518 48.454 46.349 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 88.077 84.574 -18.064 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 88.963 84.463 -18.410 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 87.785 83.686 -17.862 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 39.278 13.544 -14.845 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 39.980 13.143 -15.356 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 39.535 13.407 -13.933 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 80.802 64.586 50.114 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 81.730 64.501 50.330 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 80.633 65.528 50.148 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 23.692 8.330 49.074 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 24.386 8.938 48.819 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 23.919 7.510 48.636 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 70.756 46.339 6.549 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 70.265 47.097 6.864 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 70.216 45.586 6.789 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 71.791 29.398 4.519 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 71.401 30.272 4.516 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 71.360 28.941 3.796 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 30.384 0.162 18.733 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 29.772 0.396 18.036 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 30.960 0.923 18.812 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 35.910 94.751 21.234 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 36.120 93.991 21.777 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 34.999 94.952 21.445 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 43.522 42.789 14.785 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 43.934 41.925 14.788 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 42.997 42.808 15.585 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 36.061 76.561 63.728 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 36.817 77.035 64.075 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 35.313 77.123 63.930 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 59.801 94.627 45.284 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 59.653 94.881 44.373 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 59.633 95.424 45.786 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 62.133 32.820 -14.483 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 61.398 33.123 -13.951 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 62.874 32.795 -13.878 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 73.236 86.479 -11.252 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 73.277 85.621 -11.673 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 73.808 87.034 -11.783 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 20.804 28.678 29.690 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 19.976 28.622 29.213 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 21.467 28.792 29.008 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 36.329 34.921 34.131 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 37.049 34.716 33.534 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 36.271 35.877 34.118 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 42.874 36.660 20.744 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 42.488 36.363 21.568 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 43.804 36.448 20.825 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 30.838 14.974 39.236 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 30.094 14.599 39.706 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 31.559 14.946 39.865 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 89.672 7.428 63.594 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 90.004 8.099 64.190 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 90.452 6.953 63.308 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 72.422 55.351 52.028 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 72.138 54.761 51.330 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 72.476 54.796 52.805 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 45.305 6.683 1.959 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 44.536 6.195 1.664 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 45.446 6.388 2.858 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 35.106 21.337 36.749 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 34.509 21.050 36.058 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 34.907 22.266 36.868 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 67.637 94.735 -7.655 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 66.734 94.468 -7.830 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 67.938 94.133 -6.974 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 74.976 45.017 54.240 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 75.849 44.633 54.329 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 75.139 45.947 54.083 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 22.225 21.638 56.490 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 22.729 21.774 55.688 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 22.514 20.785 56.813 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 74.014 16.289 44.123 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 73.633 16.558 44.958 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 73.266 15.999 43.600 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 48.628 22.446 19.890 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 49.328 23.098 19.921 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 47.922 22.875 19.406 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 76.718 40.200 -15.414 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 77.289 39.524 -15.049 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 76.602 40.827 -14.700 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 88.480 42.394 35.214 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 87.763 43.012 35.357 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 88.846 42.644 34.365 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 36.426 53.051 39.917 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 36.544 53.081 38.967 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 36.063 53.908 40.141 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 40.748 93.883 43.380 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 41.015 93.768 42.468 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 41.498 94.306 43.798 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 74.114 65.878 -11.621 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 73.318 65.925 -12.150 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 73.819 66.055 -10.728 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 88.413 81.004 45.257 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 88.088 80.667 44.423 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 88.002 81.865 45.344 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 59.248 0.554 23.335 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 58.999 0.271 22.455 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 59.715 -0.195 23.705 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 38.670 15.826 16.663 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 39.291 16.479 16.986 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 39.010 14.991 16.985 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 68.805 92.929 44.933 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 68.227 92.291 44.513 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 68.634 93.748 44.468 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 82.760 63.104 6.310 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 82.972 62.931 5.393 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 82.047 62.498 6.510 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 21.182 18.173 36.383 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 21.908 18.766 36.191 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 20.399 18.717 36.300 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 89.749 89.965 18.986 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 90.645 89.729 19.224 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 89.598 90.805 19.420 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 46.635 20.649 49.535 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 46.345 20.905 48.659 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 46.901 19.734 49.441 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 55.296 42.740 44.789 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 54.422 43.014 44.509 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 55.790 43.556 44.865 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 60.249 96.309 -1.412 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 59.367 95.983 -1.231 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 60.159 97.262 -1.400 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 61.886 36.230 41.775 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 61.192 36.838 41.519 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 62.466 36.195 41.014 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 46.060 40.138 20.054 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 46.276 39.342 19.569 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 46.906 40.553 20.222 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 45.571 65.265 50.269 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 46.323 65.775 49.969 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 45.098 65.041 49.468 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 59.695 78.947 33.409 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 60.028 78.747 34.284 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 59.121 78.210 33.197 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 53.390 85.309 9.303 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 53.722 84.596 9.848 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 53.285 84.919 8.435 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 43.659 45.775 33.404 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 44.106 45.877 32.564 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 43.837 44.871 33.662 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 71.127 50.759 40.616 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 70.370 50.233 40.875 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 70.787 51.651 40.549 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 69.301 82.466 49.993 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 68.487 82.649 49.522 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 69.726 81.780 49.478 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 62.160 54.039 0.495 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 61.920 54.944 0.297 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 61.527 53.763 1.158 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 30.596 75.291 -0.951 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 29.869 74.826 -0.537 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 31.357 75.078 -0.410 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 26.795 23.258 23.676 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 27.534 23.715 24.078 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 27.119 22.986 22.818 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 85.503 51.691 -17.215 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 84.709 51.206 -16.990 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 85.870 51.218 -17.962 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 84.546 96.301 65.823 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 85.412 96.600 65.546 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 84.328 96.857 66.571 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 32.392 76.013 50.231 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 33.020 76.243 49.546 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 32.050 75.159 49.966 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 85.749 75.637 21.415 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 86.582 75.645 20.943 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 85.403 74.755 21.276 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 64.591 22.841 21.149 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 64.156 22.251 21.765 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 65.313 23.221 21.650 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 84.105 5.908 55.743 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 83.738 5.920 56.626 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 84.968 5.509 55.847 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 33.349 51.346 -18.858 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 33.477 50.789 -18.090 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 34.127 51.904 -18.882 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 31.329 31.188 -19.354 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 30.759 30.724 -18.740 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 32.190 30.788 -19.230 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 31.294 45.300 61.882 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 31.194 44.498 62.395 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 31.886 45.058 61.170 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 31.058 10.279 34.535 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 30.260 9.774 34.692 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 31.216 10.194 33.595 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 73.432 90.317 -6.567 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 73.451 91.272 -6.620 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 72.504 90.091 -6.634 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 65.945 11.962 0.374 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 65.643 12.779 0.769 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 66.063 12.172 -0.552 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 31.247 95.707 37.188 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 31.908 95.371 37.794 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 31.485 95.331 36.341 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 58.620 46.853 34.195 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 59.322 47.281 34.685 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 58.227 47.556 33.677 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 33.751 27.228 7.757 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 34.665 27.479 7.889 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 33.260 27.777 8.369 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 77.246 10.428 -0.230 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 76.860 10.070 0.569 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 78.187 10.283 -0.128 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 55.574 33.211 63.356 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 55.358 32.748 62.547 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 55.096 32.739 64.038 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 37.569 46.648 2.039 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 38.037 46.921 2.829 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 36.682 46.989 2.157 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 68.196 12.074 10.359 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 68.049 12.635 9.598 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 67.391 12.149 10.872 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 64.900 90.963 30.385 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 64.492 90.244 30.867 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 64.433 90.988 29.550 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 62.974 55.329 -18.862 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 63.020 55.487 -19.805 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 62.060 55.498 -18.635 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 89.825 91.910 -8.753 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 89.928 92.690 -8.207 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 89.015 92.062 -9.239 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 76.483 68.669 3.724 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 76.171 67.767 3.791 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 75.960 69.152 4.365 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 38.913 63.763 -19.276 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 38.253 63.358 -18.714 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 38.558 64.628 -19.480 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 47.723 51.129 54.084 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 48.636 51.117 53.798 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 47.330 51.855 53.600 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 72.276 53.835 13.793 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 72.697 52.976 13.802 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 71.372 53.663 14.057 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 73.559 65.153 39.864 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 72.915 65.797 39.569 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 73.884 65.501 40.694 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 39.058 33.089 36.415 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 39.695 33.571 36.944 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 38.207 33.348 36.770 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 55.504 91.772 17.073 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 55.451 92.664 16.730 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 55.383 91.870 18.017 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 38.565 79.586 -19.001 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 38.745 79.051 -19.774 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 39.410 79.658 -18.558 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 50.178 10.792 19.181 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 49.321 10.400 19.351 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 50.053 11.305 18.382 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 22.612 30.747 1.933 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 23.378 30.881 2.490 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 22.012 31.452 2.176 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 48.816 87.138 34.572 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 48.276 86.852 33.836 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 48.940 86.349 35.099 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 21.635 0.020 9.003 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 22.558 0.269 9.052 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 21.165 0.768 9.370 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 86.549 27.266 34.691 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 86.363 27.816 33.930 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 86.848 27.879 35.362 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 61.671 21.431 -16.299 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 62.083 22.180 -16.730 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 62.191 21.294 -15.507 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 52.487 21.353 63.145 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 53.120 20.927 63.723 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 53.020 21.903 62.570 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 72.078 56.996 43.286 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 72.046 57.792 42.755 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 72.707 56.432 42.837 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 63.709 22.754 32.293 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 64.144 23.159 33.043 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 64.401 22.657 31.638 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 30.812 69.783 26.041 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 31.571 70.133 25.574 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 30.632 68.946 25.613 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 67.477 49.094 -12.368 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 68.308 49.555 -12.483 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 67.031 49.573 -11.670 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 87.161 70.015 -5.499 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 86.243 70.061 -5.232 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 87.634 70.490 -4.815 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 76.132 66.971 22.329 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 76.340 66.057 22.519 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 75.249 67.094 22.678 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 78.329 73.698 32.398 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 78.942 74.364 32.709 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 77.847 73.432 33.182 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 52.838 27.183 20.773 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 52.153 27.833 20.931 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 53.437 27.609 20.160 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 33.278 29.840 21.336 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 33.824 30.373 21.914 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 33.836 29.102 21.091 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 22.295 17.128 -1.418 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 21.398 17.320 -1.145 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 22.717 17.986 -1.476 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 24.736 83.110 0.763 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 24.911 82.999 -0.171 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 24.972 82.268 1.153 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 84.022 81.492 -12.590 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 83.207 81.078 -12.306 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 84.610 81.403 -11.840 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 82.284 11.126 36.290 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 81.345 10.945 36.240 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 82.701 10.297 36.056 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 42.976 54.740 51.146 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 43.335 54.546 50.280 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 43.198 55.659 51.298 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 88.522 31.216 28.871 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 88.302 31.209 27.939 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 88.715 32.133 29.065 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 36.211 68.085 56.911 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 35.710 67.385 57.331 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 35.585 68.803 56.814 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 75.579 78.043 11.278 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 75.193 78.388 10.474 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 74.856 77.596 11.719 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 79.400 45.556 10.034 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 78.632 45.795 10.553 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 80.138 45.941 10.507 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 38.434 20.474 27.800 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 38.591 20.657 26.873 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 38.327 21.336 28.200 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 84.623 0.492 -4.019 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 84.162 0.905 -4.750 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 84.877 -0.368 -4.351 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 28.019 77.129 5.191 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 27.803 76.432 5.810 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 28.849 77.484 5.509 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 88.726 72.917 -6.166 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 88.059 72.235 -6.094 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 89.358 72.708 -5.478 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 67.975 40.934 -8.863 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 68.445 40.196 -9.251 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 67.150 40.974 -9.348 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 57.657 64.032 65.334 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 58.019 63.165 65.151 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 56.730 63.958 65.104 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 80.973 75.217 7.337 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 81.747 74.678 7.174 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 80.234 74.631 7.175 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 68.461 53.549 57.562 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 67.530 53.393 57.402 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 68.593 54.468 57.330 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 60.994 26.553 47.099 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 60.549 25.896 47.634 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 61.452 27.107 47.732 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 76.976 18.727 40.624 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 77.456 19.359 41.159 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 77.653 18.279 40.117 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 56.803 90.581 6.410 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 57.509 90.442 5.779 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 57.057 91.374 6.883 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 86.939 91.908 -4.456 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 87.477 91.896 -3.665 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 87.440 91.401 -5.095 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 80.683 0.497 43.827 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 80.995 1.301 43.412 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 79.957 0.207 43.274 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 88.733 96.194 54.053 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 89.021 96.635 54.852 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 87.783 96.124 54.147 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 31.504 29.133 62.032 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 30.766 28.546 62.193 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 32.130 28.928 62.727 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 21.436 39.606 31.768 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 22.315 39.983 31.805 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 20.940 40.206 31.211 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 40.287 11.949 38.422 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 39.387 11.644 38.302 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 40.643 12.000 37.536 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 30.456 87.858 50.224 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 30.747 88.200 49.379 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 29.830 87.169 50.001 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 22.655 7.867 45.230 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 23.513 7.499 45.441 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 22.032 7.300 45.684 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 80.119 86.302 36.761 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 79.897 85.618 36.129 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 79.360 86.886 36.759 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 58.569 89.297 2.256 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 59.020 89.281 1.412 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 57.766 88.796 2.108 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 27.915 43.344 13.676 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 28.024 43.887 14.457 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 26.967 43.271 13.565 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 63.939 62.793 46.839 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 63.566 62.781 45.958 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 63.240 62.456 47.400 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 49.113 34.705 46.579 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 49.702 35.452 46.468 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 49.014 34.616 47.527 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 37.753 7.157 3.251 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 37.684 6.655 4.063 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 38.659 7.465 3.236 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 90.114 35.156 2.573 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 90.463 36.047 2.544 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 89.769 35.062 3.461 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 21.706 43.772 23.507 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 22.613 43.633 23.780 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 21.667 44.698 23.266 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 81.598 35.603 52.660 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 81.973 36.058 51.907 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 80.652 35.684 52.543 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 55.362 12.458 5.812 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 54.496 12.826 5.987 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 55.206 11.521 5.697 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 38.867 36.053 22.210 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 39.197 36.109 23.106 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 39.596 36.354 21.666 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 75.773 25.084 41.380 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 75.837 25.843 40.801 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 75.587 25.455 42.242 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 67.248 16.253 -19.533 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 66.963 17.157 -19.672 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 66.901 16.023 -18.671 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 26.565 47.228 61.486 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 27.503 47.134 61.652 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 26.245 47.760 62.215 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 67.993 34.953 55.396 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 68.586 34.943 56.148 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 68.491 35.388 54.704 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 21.211 1.816 38.596 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 20.791 2.052 37.768 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 20.483 1.657 39.197 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 32.587 29.728 36.174 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 32.798 30.606 36.490 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 33.230 29.159 36.598 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 35.036 65.012 39.200 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 35.278 65.163 38.286 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 35.201 64.080 39.342 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 38.277 55.332 11.201 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 38.410 55.519 12.130 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 38.669 54.469 11.071 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 79.602 54.486 -5.230 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 80.373 54.775 -5.717 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 79.759 54.782 -4.334 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 82.764 27.926 10.640 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 81.995 27.634 10.150 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 83.125 28.641 10.116 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 44.886 72.610 12.327 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 45.683 72.869 11.865 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 44.545 71.871 11.823 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 41.740 83.993 60.057 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 42.560 83.522 60.203 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 41.209 83.794 60.829 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 89.664 78.616 37.778 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 89.576 77.924 37.122 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 89.042 78.375 38.465 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 71.269 44.546 20.061 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 70.864 45.249 19.552 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 70.622 43.841 20.053 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 41.962 71.147 -3.147 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 41.686 70.262 -3.386 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 42.891 71.059 -2.933 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 32.313 24.888 55.472 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 31.545 25.460 55.473 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 32.863 25.227 54.766 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 37.781 93.611 52.642 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 38.658 93.740 53.003 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 37.520 94.477 52.330 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 90.092 33.444 30.724 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 90.285 34.070 30.026 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 90.856 32.869 30.749 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 65.938 12.150 35.591 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 65.055 11.876 35.342 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 65.945 12.097 36.546 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 32.684 78.872 57.655 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 32.920 77.982 57.393 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 32.461 79.312 56.835 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 35.239 72.049 56.739 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 35.859 71.997 56.012 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 34.987 72.972 56.775 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 80.012 35.578 15.003 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 80.473 36.409 15.108 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 79.119 35.760 15.295 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 33.918 68.181 9.533 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 34.436 67.742 10.208 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 34.564 68.633 8.990 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 86.638 60.164 -8.404 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 86.810 59.992 -7.478 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 87.496 60.097 -8.823 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 58.290 4.929 11.644 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 57.368 4.697 11.752 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 58.681 4.168 11.215 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 75.428 52.017 26.450 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 74.813 52.592 26.907 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 74.872 51.434 25.933 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 76.239 27.878 46.001 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 76.125 28.823 45.895 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 75.807 27.676 46.832 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 34.054 27.835 49.462 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 33.145 28.122 49.546 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 34.090 27.401 48.610 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 44.031 7.943 62.874 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 43.986 8.401 62.034 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 44.966 7.794 63.015 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 39.878 59.128 5.124 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 39.513 60.008 5.210 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 39.877 58.779 6.015 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 85.185 50.654 41.052 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 85.934 50.554 40.464 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 84.559 49.991 40.759 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 45.887 53.598 35.254 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 45.053 53.258 34.929 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 45.983 53.207 36.122 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 37.352 70.660 57.984 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 36.649 71.297 57.861 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 37.321 70.444 58.916 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 80.676 34.803 24.149 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 80.383 34.875 23.241 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 81.295 34.073 24.144 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 21.738 65.507 -11.171 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 22.578 65.795 -10.814 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 21.951 64.732 -11.690 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 66.879 47.313 57.331 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 66.528 48.158 57.610 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 67.211 46.913 58.136 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 44.109 8.086 55.968 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 43.862 7.161 55.976 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 44.251 8.304 56.889 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 58.586 34.531 -17.983 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 59.336 34.613 -18.572 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 58.102 35.350 -18.096 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 82.362 33.916 49.504 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 83.292 33.690 49.541 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 82.337 34.856 49.685 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 58.918 25.000 48.258 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 58.186 24.640 47.758 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 58.505 25.528 48.942 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 64.690 54.902 19.710 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 64.004 54.249 19.572 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 64.469 55.613 19.109 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 46.140 36.799 -7.353 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 46.489 36.809 -8.244 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 46.417 37.635 -6.977 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 56.297 14.922 15.547 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 55.359 15.071 15.663 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 56.715 15.613 16.060 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 71.868 26.284 39.281 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 71.482 25.498 39.666 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 72.461 25.954 38.606 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 25.879 93.659 65.992 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 25.644 94.586 66.006 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 26.063 93.444 66.907 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 84.372 94.294 63.732 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 83.932 93.570 64.178 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 84.095 95.075 64.212 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 73.347 77.584 17.641 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 73.635 76.672 17.622 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 73.157 77.757 18.563 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 49.135 6.662 31.739 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 49.046 6.129 30.948 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 49.712 7.381 31.480 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 87.301 30.822 -17.015 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 87.421 30.341 -17.834 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 86.844 31.623 -17.272 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 75.890 45.476 59.730 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 75.118 45.690 59.207 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 76.420 46.273 59.712 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 58.070 27.747 18.203 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 57.258 28.199 17.975 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 58.206 27.949 19.129 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 77.769 54.698 54.667 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 77.251 55.333 54.172 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 77.225 54.484 55.425 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 72.061 93.050 47.686 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 71.838 92.186 47.338 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 71.228 93.520 47.713 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 89.069 85.283 62.764 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 89.891 85.396 62.287 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 88.778 84.400 62.535 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 68.266 40.072 31.480 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 68.392 39.686 30.613 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 67.378 40.429 31.458 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 33.341 60.704 17.989 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 33.621 60.229 17.206 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 32.651 60.158 18.366 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 58.098 2.702 1.842 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 58.627 1.940 1.607 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 58.349 2.901 2.744 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 47.900 90.549 10.070 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 48.241 90.725 10.947 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 47.338 89.782 10.180 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 80.371 84.841 39.343 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 79.905 85.396 39.968 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 80.516 85.404 38.582 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 66.747 68.186 17.924 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 65.860 68.315 17.589 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 66.766 67.272 18.206 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 28.403 82.693 51.394 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 29.037 82.033 51.114 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 27.651 82.188 51.702 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 36.466 2.185 26.350 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 36.720 3.108 26.352 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 36.489 1.932 25.427 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 63.969 39.886 -5.405 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 63.805 39.351 -4.628 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 64.154 40.760 -5.060 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 67.777 29.198 9.767 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 68.477 29.123 9.119 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 67.087 29.688 9.319 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 64.622 25.640 48.850 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 64.929 26.022 48.027 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 64.764 26.327 49.501 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 36.653 9.669 40.066 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 35.741 9.924 39.928 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 37.156 10.279 39.526 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 58.700 34.122 57.784 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 58.192 34.485 58.509 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 58.043 33.777 57.179 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 36.648 19.183 36.679 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 35.997 19.882 36.736 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 37.270 19.377 37.381 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 55.356 88.978 62.411 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 55.243 88.528 63.248 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 54.931 88.406 61.772 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 26.225 0.871 52.051 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 27.090 0.533 52.283 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 25.611 0.252 52.446 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 55.090 30.463 -17.326 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 54.179 30.742 -17.410 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 55.323 30.138 -18.196 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 39.815 2.501 37.426 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 39.000 2.651 37.906 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 39.630 1.742 36.872 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 73.617 23.043 38.052 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 73.617 22.510 37.257 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 74.398 23.591 37.974 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 23.521 33.206 64.362 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 24.061 33.978 64.537 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 22.786 33.285 64.970 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 60.697 7.245 10.094 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 59.869 7.725 10.124 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 61.361 7.920 9.952 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 79.084 31.821 54.104 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 79.809 31.272 53.805 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 78.629 32.076 53.301 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 39.091 24.333 58.432 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 39.838 24.141 57.865 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 39.163 23.699 59.146 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 66.555 53.467 21.113 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 66.555 52.786 20.440 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 65.847 54.058 20.856 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 21.592 36.724 26.407 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 22.289 37.377 26.341 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 21.156 36.750 25.555 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 51.407 90.152 54.877 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 51.600 89.776 54.018 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 50.453 90.237 54.892 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 76.884 11.536 58.923 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 77.521 11.683 58.225 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 76.300 10.861 58.577 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 60.301 13.506 12.300 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 59.535 12.977 12.079 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 60.079 13.911 13.139 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 54.153 0.283 28.085 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 53.325 0.572 28.469 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 54.243 0.805 27.288 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 49.588 5.380 -10.723 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 49.879 5.717 -11.571 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 48.664 5.625 -10.672 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 33.290 40.187 44.333 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 32.851 39.848 45.113 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 33.713 39.422 43.944 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 87.858 80.214 29.007 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 88.798 80.034 28.991 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 87.452 79.388 28.745 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 86.111 68.949 -2.906 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 85.381 68.479 -3.309 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 85.747 69.309 -2.097 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 69.363 84.960 -6.635 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 69.691 85.135 -7.517 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 69.394 84.007 -6.552 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 23.900 49.915 61.597 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 24.426 49.565 62.316 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 23.562 49.141 61.147 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 84.266 16.901 1.592 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 83.841 16.531 0.818 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 84.150 17.847 1.501 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 58.507 67.451 47.822 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 57.868 66.759 47.654 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 58.091 68.247 47.491 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 30.991 63.599 31.696 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 31.539 63.166 31.042 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 30.176 63.797 31.234 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 71.254 3.988 46.859 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 71.263 3.152 47.325 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 70.432 4.402 47.124 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 35.274 23.737 5.240 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 34.803 23.633 4.413 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 35.313 24.683 5.377 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 20.695 90.255 11.382 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 20.961 90.186 12.299 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 20.203 91.074 11.335 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 40.191 12.351 19.172 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 40.438 13.212 18.836 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 40.798 11.744 18.748 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 75.002 63.966 26.695 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 75.181 63.576 25.839 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 74.181 63.561 26.976 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 31.192 21.332 -13.119 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 31.902 21.214 -13.750 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 30.927 20.442 -12.888 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 64.562 33.149 65.170 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 64.510 32.570 64.410 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 65.341 33.683 65.012 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 45.452 45.559 61.510 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 45.833 44.687 61.407 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 46.136 46.157 61.209 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 60.366 4.570 55.707 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 61.086 4.835 55.135 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 60.732 4.617 56.591 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 60.483 31.446 50.327 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 61.412 31.486 50.102 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 60.377 32.090 51.027 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 67.013 47.930 48.762 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 67.334 48.544 48.102 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 66.340 47.421 48.310 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 66.810 28.264 -8.549 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 65.968 28.505 -8.163 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 67.171 29.089 -8.871 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 40.284 44.350 50.687 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 41.002 44.768 50.213 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 39.657 45.056 50.845 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 39.364 48.967 6.790 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 39.773 49.388 7.546 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 38.426 48.993 6.978 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 68.043 30.184 1.969 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 67.359 30.671 2.430 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 68.862 30.509 2.343 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 36.976 69.987 13.497 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 36.544 69.547 14.230 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 37.781 70.343 13.872 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 27.208 80.705 62.261 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 27.178 81.088 61.385 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 28.019 80.196 62.273 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 59.718 75.453 4.611 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 60.245 75.702 5.370 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 59.075 74.835 4.957 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 46.279 37.669 18.519 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 47.201 37.923 18.500 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 46.288 36.751 18.791 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 65.927 5.862 5.068 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 66.285 5.102 4.610 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 66.677 6.444 5.192 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 83.432 37.357 30.268 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 82.811 36.964 30.881 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 83.905 36.613 29.896 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 86.695 49.823 5.270 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 86.423 49.388 6.078 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 85.876 50.022 4.816 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 71.280 84.920 50.228 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 71.328 85.361 49.381 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 70.608 84.248 50.112 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 48.518 82.471 40.890 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 49.246 82.518 40.270 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 48.725 81.719 41.446 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 57.786 72.721 47.140 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 57.937 72.866 46.206 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 58.221 73.457 47.570 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 89.721 91.167 46.027 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 89.940 90.816 46.890 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 89.601 90.393 45.477 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 56.834 81.934 61.238 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 56.169 82.358 60.696 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 56.337 81.497 61.930 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 33.128 62.619 -7.360 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 32.334 62.264 -6.961 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 33.559 63.097 -6.651 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 32.217 84.163 13.165 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 33.101 83.826 13.306 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 32.179 84.355 12.228 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 57.136 41.839 52.805 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 56.599 41.173 52.377 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 57.609 42.263 52.090 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 24.814 29.439 -4.253 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 25.262 29.704 -3.449 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 25.307 29.866 -4.954 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 62.740 58.485 47.234 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 63.074 57.588 47.257 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 61.810 58.389 47.029 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 69.796 90.007 8.893 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 69.199 89.736 9.591 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 70.191 89.191 8.585 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 62.987 42.572 54.305 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 63.612 42.400 55.009 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 62.274 43.050 54.729 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 54.360 61.357 47.800 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 54.851 60.868 48.460 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 54.747 61.090 46.966 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 46.381 38.844 7.409 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 46.476 39.481 6.701 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 46.101 39.363 8.163 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 21.516 14.466 52.897 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 21.138 14.672 53.752 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 20.760 14.369 52.318 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 29.904 79.676 10.668 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 29.181 80.084 11.146 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 30.569 79.509 11.337 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 23.036 76.190 -4.931 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 23.961 76.218 -4.688 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 22.737 75.328 -4.640 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 22.411 72.571 41.019 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 22.618 72.634 40.087 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 22.905 71.810 41.323 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 60.798 86.440 -6.511 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 61.745 86.342 -6.617 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 60.571 85.830 -5.810 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 55.988 26.104 -13.020 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 56.014 26.609 -13.833 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 55.099 26.227 -12.689 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 38.199 32.535 -18.841 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 38.394 32.451 -17.908 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 38.545 33.394 -19.082 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 81.657 64.153 16.442 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 82.502 64.384 16.055 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 81.612 63.200 16.368 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 48.672 2.863 19.663 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 49.454 2.999 19.127 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 47.942 2.948 19.050 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 74.034 48.214 -17.788 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 74.145 49.081 -18.179 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 73.160 48.236 -17.400 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 42.806 85.173 49.347 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 42.588 84.292 49.650 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 42.937 85.077 48.404 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 59.918 7.796 66.987 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 60.589 7.982 66.330 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 60.256 7.041 67.468 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 78.485 56.601 6.296 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 77.586 56.766 6.581 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 78.963 56.419 7.105 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 84.870 55.947 11.076 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 84.706 56.490 10.305 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 84.107 56.089 11.636 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 31.842 64.359 -4.535 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 31.559 63.868 -3.763 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 32.444 65.019 -4.192 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 73.447 42.492 54.389 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 73.948 43.296 54.253 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 73.811 41.873 53.756 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 79.931 35.328 34.576 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 79.023 35.034 34.504 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 80.359 34.656 35.107 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 30.961 37.965 9.985 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 31.092 37.959 9.036 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 31.118 37.060 10.254 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 54.666 53.884 3.061 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 54.434 54.799 2.903 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 54.008 53.573 3.682 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 44.165 17.034 -2.118 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 44.964 17.534 -1.950 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 44.100 16.430 -1.377 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 20.236 61.546 -3.488 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 20.113 60.646 -3.789 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 21.008 61.507 -2.922 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 24.975 11.081 32.015 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 25.663 10.706 32.565 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 25.294 10.967 31.120 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 53.621 91.528 -8.659 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 53.026 90.935 -8.200 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 54.427 91.022 -8.769 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 26.914 59.404 -6.453 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 27.516 60.114 -6.675 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 27.475 58.714 -6.101 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 30.977 92.627 -14.872 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 31.901 92.742 -14.650 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 30.909 91.713 -15.148 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 61.519 78.956 19.285 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 62.360 78.583 19.021 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 61.581 79.881 19.048 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 78.769 16.495 60.041 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 79.052 16.705 60.931 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 79.506 16.017 59.661 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 83.531 67.924 -7.675 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 83.465 67.522 -8.542 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 84.458 67.857 -7.449 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 66.410 82.609 30.363 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 65.647 82.182 29.973 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 66.643 83.299 29.741 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 40.356 89.880 43.161 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 40.953 90.277 43.795 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 40.415 88.940 43.331 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 39.338 6.396 17.151 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 39.668 7.263 17.388 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 38.390 6.458 17.273 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 80.904 36.466 -19.511 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 81.407 37.277 -19.437 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 80.994 36.210 -20.429 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 66.650 43.887 9.133 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 66.206 43.261 9.705 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 66.793 44.656 9.685 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 26.265 26.858 -6.183 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 26.484 26.378 -6.982 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 26.677 27.715 -6.298 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 61.825 13.382 40.250 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 62.607 13.768 39.855 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 61.100 13.716 39.721 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 76.582 40.799 -8.618 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 76.781 41.479 -9.262 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 77.394 40.695 -8.121 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 70.795 18.853 55.719 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 70.584 18.202 55.049 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 69.958 19.273 55.917 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 33.765 52.244 1.291 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 33.269 51.949 2.055 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 34.646 51.896 1.429 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 38.961 35.321 57.322 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 38.969 35.065 56.399 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 38.141 34.963 57.662 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 21.712 34.557 -4.489 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 22.114 35.347 -4.126 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 20.832 34.833 -4.747 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 36.232 42.788 -2.648 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 35.709 43.497 -3.023 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 35.716 41.998 -2.810 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 53.443 16.428 34.600 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 53.667 16.676 35.497 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 52.859 15.676 34.698 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 20.749 36.428 35.816 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 20.418 37.102 35.222 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 20.287 36.586 36.639 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 60.118 60.486 39.151 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 59.602 60.095 38.446 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 60.057 61.429 39.000 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 75.909 37.743 41.439 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 75.418 38.157 42.149 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 76.790 37.623 41.793 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 89.995 62.545 61.279 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 89.157 62.103 61.411 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 89.765 63.380 60.872 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 39.966 9.133 42.982 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 39.045 8.993 42.762 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 40.362 9.448 42.170 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 50.713 14.445 -10.881 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 50.421 14.937 -10.113 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 51.668 14.444 -10.815 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 77.429 82.754 16.901 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 77.805 82.424 17.717 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 78.156 83.196 16.463 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 34.501 62.517 31.857 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 34.478 63.259 32.461 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 35.411 62.477 31.561 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 47.000 30.846 -15.465 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 47.027 31.087 -14.539 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 47.455 30.005 -15.507 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 75.634 54.208 40.866 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 74.773 54.285 40.455 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 76.015 53.420 40.480 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 34.868 74.037 59.336 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 35.031 74.465 58.496 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 33.969 73.715 59.271 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 34.875 71.466 44.660 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 35.830 71.496 44.727 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 34.634 70.622 45.042 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 34.560 22.630 11.308 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 34.528 21.734 10.972 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 35.300 22.632 11.916 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 30.831 64.305 -19.162 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 30.434 64.082 -20.004 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 30.179 64.041 -18.512 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 36.553 17.869 7.684 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 37.484 17.649 7.689 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 36.511 18.726 7.258 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 71.881 50.671 5.462 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 72.698 50.308 5.805 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 71.357 50.860 6.240 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 32.640 36.874 35.007 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 31.813 37.266 34.724 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 32.897 36.306 34.281 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 73.116 8.718 62.576 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 72.611 9.270 63.172 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 72.996 7.830 62.912 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 46.598 33.274 1.057 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 46.717 33.115 1.993 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 46.674 34.224 0.963 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 50.658 58.018 -17.644 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 51.296 58.131 -16.939 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 50.419 58.909 -17.896 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 65.507 47.542 32.620 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 65.071 46.690 32.648 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 64.996 48.053 31.991 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 42.441 62.829 39.052 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 42.947 63.488 39.527 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 42.862 61.998 39.272 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 79.098 86.591 8.163 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 79.775 85.916 8.137 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 79.551 87.396 7.913 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 86.945 20.949 -13.512 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 87.799 20.699 -13.159 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 86.321 20.389 -13.051 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 36.846 9.607 16.238 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 36.022 9.471 16.706 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 36.842 10.536 16.010 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 80.603 35.131 56.825 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 80.177 34.305 57.051 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 81.355 34.876 56.291 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 82.741 62.653 3.679 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 82.291 62.763 2.842 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 82.917 61.714 3.736 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 84.544 34.835 -11.956 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 84.694 35.676 -12.388 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 84.294 34.242 -12.665 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 86.650 33.261 4.376 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 87.455 32.942 4.784 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 86.827 34.181 4.182 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 34.248 60.130 33.056 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 35.103 60.098 33.487 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 34.236 60.977 32.611 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 62.935 72.778 -4.368 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 62.704 71.854 -4.459 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 62.578 73.031 -3.516 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 68.467 50.546 14.668 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 67.651 50.913 14.329 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 68.222 50.146 15.503 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 24.264 9.188 35.669 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 25.145 8.862 35.487 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 23.888 9.358 34.805 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 75.691 24.687 59.199 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 75.862 24.090 59.927 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 75.510 25.529 59.617 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 28.978 3.553 20.730 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 29.260 2.775 21.210 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 28.397 4.012 21.337 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 36.977 23.379 -12.241 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 37.415 23.517 -11.401 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 36.064 23.208 -12.010 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 37.690 81.391 -1.348 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 37.533 82.112 -1.958 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 38.484 81.644 -0.877 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 34.843 6.985 1.844 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 34.941 7.808 2.323 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 35.659 6.513 2.008 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 48.520 84.839 12.815 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 48.757 84.995 13.729 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 48.285 83.912 12.784 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 83.455 43.959 3.452 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 84.064 43.660 4.127 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 83.914 44.677 3.015 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 22.605 52.911 32.476 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 21.886 53.409 32.087 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 23.328 53.010 31.857 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 67.837 7.478 52.101 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 67.815 8.043 51.329 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 67.143 7.816 52.666 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 57.271 85.540 60.983 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 57.814 84.915 61.463 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 56.372 85.277 61.178 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 71.353 90.496 19.621 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 71.818 91.160 20.130 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 71.804 89.677 19.826 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 31.398 46.566 -0.987 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 30.962 46.131 -0.254 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 30.682 46.888 -1.534 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 33.471 17.092 49.717 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 33.375 16.253 50.168 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 33.770 16.860 48.838 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 47.867 64.411 13.148 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 48.661 64.204 13.642 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 48.052 65.259 12.742 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 73.050 43.160 37.160 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 73.691 43.852 37.001 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 72.333 43.352 36.555 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 55.725 49.022 64.698 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 55.571 49.349 63.812 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 55.789 48.073 64.597 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 64.601 16.654 -13.046 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 64.901 16.966 -13.900 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 65.371 16.234 -12.661 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 49.722 33.372 -7.097 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 49.217 33.954 -6.529 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 50.176 33.961 -7.699 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 87.765 90.428 -6.644 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 88.190 90.605 -7.483 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 87.919 89.496 -6.488 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 68.859 49.195 50.746 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 69.224 50.035 50.466 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 68.370 48.881 49.985 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 40.763 30.614 -16.565 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 41.412 30.805 -15.888 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 39.991 30.319 -16.081 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 20.883 94.110 -12.180 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 21.702 94.114 -12.675 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 20.852 93.244 -11.775 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 49.740 11.435 34.646 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 50.122 11.648 33.795 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 50.460 11.543 35.267 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 20.995 43.245 -3.084 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 20.920 43.938 -2.428 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 20.148 42.800 -3.062 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 22.426 41.733 -17.692 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 22.997 41.695 -16.924 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 22.961 42.147 -18.369 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 24.074 31.190 -10.210 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 23.505 31.948 -10.344 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 24.205 30.831 -11.088 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 38.295 6.595 38.896 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 37.623 6.798 38.244 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 38.666 7.445 39.130 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 74.366 3.608 -7.677 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 74.557 4.495 -7.373 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 73.412 3.579 -7.747 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 81.143 32.223 -17.442 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 81.559 32.588 -16.661 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 81.545 31.361 -17.548 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 73.852 6.106 38.412 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 73.778 5.409 39.063 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 72.976 6.173 38.031 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 83.247 74.846 16.436 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 83.107 73.958 16.108 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 83.375 74.736 17.379 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 88.874 45.809 24.136 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 88.407 46.437 24.687 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 88.686 46.090 23.240 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 57.439 13.398 60.800 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 57.096 12.798 61.462 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 57.097 13.061 59.972 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 28.233 59.806 65.459 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 29.183 59.801 65.344 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 27.946 58.956 65.126 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 20.941 71.881 43.272 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 20.194 71.371 42.960 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 21.362 72.203 42.475 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 26.106 37.694 47.329 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 26.792 37.826 47.984 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 26.556 37.784 46.489 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 76.694 6.379 10.544 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 77.054 6.891 9.819 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 77.291 5.636 10.633 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 65.399 64.311 -0.638 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 64.981 64.963 -0.075 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 65.615 63.588 -0.049 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 89.205 95.966 45.720 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 88.288 96.142 45.930 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 89.216 95.846 44.771 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 41.844 90.957 62.963 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 42.463 91.674 62.819 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 41.068 91.206 62.461 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 53.045 13.672 24.118 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 53.088 13.420 25.040 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 52.190 13.358 23.823 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 35.669 74.348 -15.600 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 34.763 74.499 -15.329 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 35.646 73.506 -16.055 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 30.150 5.743 -0.478 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 30.959 5.677 0.029 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 29.585 5.058 -0.119 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 52.925 59.885 -11.994 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 52.584 60.709 -11.646 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 53.133 59.365 -11.218 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 77.763 59.756 41.780 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 76.947 59.405 41.422 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 78.384 59.704 41.054 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 29.179 79.175 52.247 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 28.354 79.211 51.764 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 29.676 79.930 51.931 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 79.049 89.303 54.311 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 78.809 88.397 54.116 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 80.006 89.307 54.290 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 56.046 40.459 62.916 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 55.769 39.895 62.194 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 55.992 39.900 63.691 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 72.601 41.772 46.280 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 73.501 42.095 46.252 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 72.204 42.231 47.020 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 37.966 19.070 55.788 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 38.293 18.220 56.084 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 38.753 19.557 55.543 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 78.527 53.226 -19.820 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 78.368 53.421 -18.896 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 77.748 52.746 -20.101 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 29.718 89.254 44.726 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 29.538 88.626 44.026 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 30.317 89.887 44.332 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 61.705 88.867 49.245 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 62.388 89.078 48.608 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 61.873 87.956 49.485 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 73.522 26.419 27.460 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 73.303 26.360 28.390 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 74.465 26.262 27.425 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 47.461 23.317 37.200 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 47.596 23.860 36.423 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 46.638 23.633 37.574 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 37.111 13.587 55.646 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 37.688 14.304 55.908 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 36.811 13.828 54.769 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 69.587 15.453 47.228 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 68.784 15.856 46.898 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 70.256 16.129 47.123 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 58.618 54.322 60.328 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 57.703 54.593 60.264 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 59.106 55.017 59.886 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 21.507 66.208 2.851 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 21.229 65.307 3.015 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 21.731 66.225 1.920 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 64.018 91.542 53.367 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 64.139 91.497 54.315 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 63.659 90.687 53.129 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 36.437 3.455 32.863 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 37.289 3.022 32.800 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 35.837 2.872 32.399 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 64.664 42.132 48.959 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 64.551 42.762 49.671 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 64.062 41.420 49.171 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 64.387 35.962 3.002 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 63.647 35.614 2.506 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 64.239 36.908 3.024 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 88.516 50.735 -15.379 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 88.163 51.567 -15.066 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 89.357 50.647 -14.930 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 37.398 30.782 -2.919 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 36.707 30.654 -2.269 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 36.967 30.632 -3.760 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 22.546 15.766 66.622 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 22.074 15.145 67.178 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 22.108 16.604 66.773 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 45.873 95.913 -7.615 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 46.440 95.415 -7.027 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 45.014 95.895 -7.192 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 80.810 50.964 53.459 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 81.021 51.894 53.544 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 79.853 50.936 53.447 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 50.689 78.549 -18.010 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 50.438 78.179 -18.856 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 50.403 77.898 -17.369 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 52.728 40.348 62.404 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 52.241 40.982 61.877 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 53.418 40.031 61.820 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 83.882 74.548 58.216 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 83.691 74.680 57.288 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 83.660 75.383 58.628 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 85.540 94.560 -4.357 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 85.126 94.406 -3.508 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 86.122 93.810 -4.479 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 32.597 15.193 -17.575 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 32.695 15.455 -18.490 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 33.489 15.191 -17.229 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 87.067 8.588 50.442 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 87.304 9.473 50.719 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 87.505 8.475 49.599 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 76.497 30.586 47.241 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 76.811 30.775 46.357 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 77.292 30.420 47.748 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 72.061 82.990 -3.654 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 71.967 83.433 -4.497 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 71.174 82.965 -3.295 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 62.205 27.923 -9.540 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 62.379 27.621 -10.431 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 61.257 28.053 -9.512 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 56.799 10.021 -12.122 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 57.078 10.895 -12.396 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 56.830 9.497 -12.923 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 25.596 0.654 56.196 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 26.395 1.102 55.918 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 25.044 0.639 55.414 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 74.250 9.768 8.929 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 74.917 10.423 8.723 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 73.478 10.279 9.172 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 70.546 39.668 17.054 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 70.591 40.424 16.469 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 71.285 39.118 16.793 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 73.479 49.056 56.423 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 72.999 49.250 55.618 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 73.123 49.668 57.068 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 31.806 9.026 -12.426 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 32.576 9.210 -12.965 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 31.917 8.116 -12.153 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 45.041 16.285 59.676 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 45.625 16.999 59.420 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 45.488 15.492 59.379 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 49.848 86.318 53.254 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 50.090 85.397 53.345 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 48.989 86.384 53.672 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 54.206 23.883 35.793 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 54.244 23.481 34.925 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 54.577 24.757 35.669 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 58.847 55.268 -1.450 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 58.611 54.341 -1.400 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 58.490 55.650 -0.648 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 83.053 72.327 54.301 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 82.685 72.582 55.147 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 82.305 72.330 53.703 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 51.779 73.224 -15.184 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 50.868 72.928 -15.189 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 52.130 72.906 -14.352 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 82.722 74.203 30.064 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 82.153 73.464 30.281 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 82.408 74.918 30.617 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 67.438 5.057 61.193 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 67.015 5.828 61.571 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 68.006 5.408 60.507 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 34.843 25.948 -9.159 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 35.565 25.894 -9.785 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 35.233 25.696 -8.321 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 39.810 19.739 3.554 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 40.763 19.729 3.636 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 39.497 19.994 4.422 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 33.240 77.312 21.914 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 32.438 76.847 22.156 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 33.813 76.632 21.560 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 70.520 53.386 55.222 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 71.001 54.197 55.056 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 69.609 53.663 55.322 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 80.427 5.409 39.102 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 79.939 6.072 39.590 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 81.230 5.282 39.606 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 22.642 74.035 -20.282 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 23.296 73.850 -19.608 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 21.802 73.933 -19.835 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 78.397 81.548 44.949 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 78.545 80.824 44.340 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 78.604 82.333 44.442 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 20.795 64.018 54.894 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 21.113 63.952 53.994 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 21.564 64.276 55.402 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 90.216 81.923 27.064 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 89.944 81.473 26.265 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 89.992 82.841 26.911 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 34.643 61.409 53.841 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 34.445 62.307 53.576 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 35.578 61.308 53.664 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 60.030 68.272 -18.006 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 59.161 67.900 -17.854 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 60.350 68.498 -17.132 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 68.727 37.827 58.456 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 67.802 37.634 58.612 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 68.832 38.737 58.734 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 73.433 9.445 -14.910 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 73.680 9.093 -14.055 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 72.478 9.507 -14.878 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 21.916 75.694 44.441 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 22.096 74.805 44.747 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 21.991 75.639 43.488 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 53.742 9.534 -1.193 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 54.337 8.945 -1.656 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 53.789 9.254 -0.279 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 90.012 59.455 -7.160 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 90.403 60.326 -7.091 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 89.587 59.451 -8.018 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 71.007 89.826 26.281 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 70.276 89.209 26.249 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 71.787 89.277 26.203 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 59.959 59.308 -13.532 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 59.158 59.267 -14.055 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 60.290 58.410 -13.529 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 59.317 37.340 67.101 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 59.139 36.897 66.272 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 58.516 37.224 67.612 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 43.731 72.516 47.733 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 42.909 72.041 47.855 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 44.172 72.055 47.020 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 68.441 85.114 6.564 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 67.667 84.814 7.041 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 68.101 85.428 5.726 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 78.794 49.442 55.513 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 79.318 50.143 55.901 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 78.022 49.886 55.162 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 37.668 42.073 7.273 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 37.613 42.261 6.336 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 37.086 42.715 7.681 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 52.313 28.376 64.117 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 51.437 28.519 64.476 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 52.388 29.014 63.407 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 21.130 95.402 4.223 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 21.159 94.732 3.540 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 20.270 95.810 4.122 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 24.836 47.932 17.589 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 25.602 47.815 17.028 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 24.113 48.083 16.980 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 65.511 3.066 27.688 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 66.378 2.973 27.292 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 65.686 3.376 28.577 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 45.373 78.429 62.891 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 44.836 78.455 63.682 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 46.129 78.980 63.095 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 44.740 20.609 41.686 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 45.578 20.725 41.239 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 44.228 20.057 41.095 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 53.531 71.717 26.789 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 53.017 70.999 27.160 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 53.661 71.470 25.873 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 26.953 89.209 31.222 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 26.083 89.393 30.867 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 27.224 90.031 31.631 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 54.808 18.897 27.048 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 55.215 19.350 26.309 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 54.454 19.599 27.594 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 71.121 66.463 14.502 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 70.365 65.881 14.420 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 71.866 65.873 14.616 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 58.130 49.853 -10.126 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 58.399 48.980 -10.414 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 57.402 49.693 -9.526 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 40.241 37.078 19.979 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 41.144 37.184 20.280 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 40.323 36.791 19.069 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 39.982 28.120 58.067 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 39.135 28.384 58.426 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 40.129 28.718 57.335 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 64.776 44.169 65.494 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 64.863 44.287 66.440 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 64.314 43.336 65.398 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 44.681 28.395 -18.162 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 45.095 28.593 -17.321 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 44.059 29.110 -18.296 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 22.770 43.132 33.510 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 22.728 43.976 33.958 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 21.952 43.081 33.017 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 28.543 82.858 15.880 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 29.380 83.225 16.165 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 28.485 82.015 16.329 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 42.405 31.588 -7.284 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 41.848 32.343 -7.096 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 41.792 30.875 -7.464 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 21.647 31.696 62.117 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 21.789 32.416 62.731 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 20.696 31.599 62.076 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 25.542 83.275 37.879 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 25.489 83.027 36.956 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 24.723 82.957 38.260 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 63.339 94.960 2.325 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 63.585 94.038 2.252 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 64.131 95.440 2.084 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 24.775 66.046 2.829 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 24.420 65.161 2.913 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 24.348 66.543 3.527 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 44.845 79.985 58.450 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 43.966 79.663 58.251 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 45.324 79.210 58.744 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 37.868 19.211 -2.966 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 37.984 18.417 -2.443 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 38.414 19.071 -3.739 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 49.934 46.329 7.282 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 50.834 46.203 6.979 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 49.898 45.872 8.122 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 65.618 53.625 56.570 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 65.812 54.313 55.933 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 64.774 53.270 56.289 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 44.684 8.644 22.518 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 44.814 9.092 23.354 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 44.562 7.724 22.755 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 76.095 38.845 65.546 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 75.607 38.470 66.279 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 75.425 39.245 64.991 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 21.664 30.837 55.136 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 21.969 31.701 54.856 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 20.711 30.920 55.173 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 24.189 95.463 58.650 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 24.803 96.032 59.115 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 24.663 95.190 57.865 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 35.730 34.338 40.877 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 36.056 33.444 40.773 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 34.779 34.255 40.819 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 44.175 1.446 42.350 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 44.978 1.686 41.886 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 44.141 0.491 42.293 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 26.713 54.667 -13.709 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 26.377 54.948 -12.858 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 26.073 54.994 -14.341 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 84.338 54.534 41.669 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 85.116 54.520 41.111 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 83.973 55.411 41.548 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 31.021 40.694 50.666 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 30.101 40.713 50.404 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 31.429 40.069 50.066 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 37.493 12.152 -5.129 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 36.727 11.580 -5.110 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 38.221 11.573 -5.354 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 60.355 72.592 66.221 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 60.600 72.562 67.146 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 59.737 73.320 66.160 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 31.262 54.087 30.555 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 31.869 53.573 30.023 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 31.804 54.775 30.941 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 45.876 40.181 42.344 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 46.335 41.003 42.515 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 44.950 40.393 42.466 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 26.393 28.261 16.254 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 25.450 28.336 16.105 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 26.789 28.743 15.528 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 43.829 12.936 67.200 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 44.125 12.515 66.393 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 44.501 12.716 67.845 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 79.514 89.843 16.286 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 79.571 88.892 16.191 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 80.322 90.088 16.737 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 41.932 95.947 2.820 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 41.252 96.305 3.391 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 42.665 95.760 3.408 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 49.853 18.363 48.009 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 50.425 17.999 48.685 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 49.330 19.022 48.465 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 84.076 89.644 57.802 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 83.876 90.579 57.848 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 84.830 89.532 58.381 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 87.196 91.896 -9.997 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 87.224 92.063 -10.939 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 86.384 92.311 -9.705 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 76.824 22.522 42.176 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 76.155 23.194 42.044 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 77.635 22.928 41.870 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 68.465 14.802 16.210 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 69.104 14.134 16.457 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 67.968 14.406 15.493 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 62.614 22.017 10.990 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 62.846 22.778 11.522 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 61.725 21.793 11.266 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 42.069 11.390 43.869 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 41.649 10.838 44.528 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 41.512 11.307 43.095 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 28.741 32.311 14.707 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 28.138 32.851 15.219 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 28.368 31.431 14.748 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 83.835 68.611 37.714 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 84.529 68.784 37.077 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 84.175 67.895 38.250 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 70.144 6.088 51.605 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 70.759 6.820 51.655 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 69.283 6.490 51.718 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 37.603 51.673 42.373 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 37.670 52.214 41.586 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 38.104 52.150 43.035 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 44.724 30.453 63.937 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 44.435 30.982 63.194 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 44.307 30.858 64.698 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 36.121 79.553 62.873 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 36.763 79.823 62.216 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 35.672 78.806 62.477 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 20.866 73.177 1.051 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 20.741 72.476 1.690 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 21.650 72.922 0.565 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 63.119 91.487 16.150 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 62.455 91.030 15.634 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 62.722 91.589 17.015 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 68.522 4.860 -6.191 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 68.519 5.656 -6.721 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 67.870 4.294 -6.604 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 78.836 91.290 24.589 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 78.292 92.076 24.547 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 78.264 90.623 24.970 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 42.333 38.435 59.885 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 41.783 37.663 59.744 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 42.500 38.774 59.005 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 57.543 37.618 44.881 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 56.678 37.981 44.693 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 58.132 38.082 44.286 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 89.887 30.492 -2.797 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 89.048 30.943 -2.886 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 90.198 30.733 -1.925 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 74.686 19.337 38.040 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 74.850 18.856 37.230 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 73.770 19.152 38.248 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 69.176 76.695 36.451 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 68.511 77.317 36.155 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 69.944 76.892 35.915 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 57.703 68.552 40.599 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 57.701 69.507 40.541 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 58.286 68.270 39.895 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 54.501 27.093 -19.179 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 54.861 27.537 -19.947 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 53.997 27.768 -18.726 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 23.529 49.601 43.411 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 24.309 49.425 42.886 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 22.817 49.173 42.935 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 60.402 8.463 63.684 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 59.730 7.829 63.935 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 60.055 8.881 62.897 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 38.984 55.056 49.376 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 39.830 55.348 49.036 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 38.517 55.864 49.585 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 77.718 64.484 49.478 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 77.636 64.511 48.524 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 78.335 65.186 49.685 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 75.342 45.392 15.995 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 76.115 45.586 16.525 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 74.661 45.966 16.345 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 55.936 27.756 46.838 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 55.749 26.885 47.189 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 56.891 27.808 46.822 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 31.176 12.672 58.817 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 30.326 13.104 58.729 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 31.540 12.677 57.931 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 44.413 3.009 21.979 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 44.914 2.564 22.662 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 43.906 2.313 21.561 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 23.444 61.139 26.490 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 24.375 60.932 26.416 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 23.270 61.130 27.431 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 78.523 76.182 49.942 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 79.464 76.329 50.034 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 78.447 75.260 49.696 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 44.411 40.904 60.915 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 44.987 40.316 61.404 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 43.699 41.103 61.524 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 75.519 45.376 67.477 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 75.751 46.213 67.075 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 74.956 44.948 66.832 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 75.861 85.046 41.325 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 74.955 85.115 41.024 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 76.369 84.902 40.527 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 33.830 35.626 0.598 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 34.364 36.050 1.270 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 34.226 35.898 -0.230 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 83.700 48.120 42.388 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 84.332 47.999 41.679 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 84.033 47.578 43.102 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 34.606 10.798 56.799 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 34.580 10.130 57.484 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 34.199 10.379 56.040 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 86.322 66.894 62.747 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 85.403 67.158 62.722 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 86.699 67.405 63.464 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 39.879 36.761 59.534 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 39.474 37.606 59.342 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 39.636 36.204 58.794 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 25.451 55.239 39.915 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 25.062 56.101 40.063 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 25.232 55.030 39.007 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 89.845 56.493 53.223 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 90.519 57.173 53.215 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 89.425 56.582 54.079 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 25.888 50.217 1.440 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 26.270 50.122 2.313 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 26.293 51.009 1.085 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 75.670 59.181 52.112 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 75.114 58.414 51.978 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 76.500 58.823 52.428 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 70.270 78.867 0.855 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 69.769 78.132 1.208 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 70.587 79.335 1.627 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 79.089 37.792 -6.685 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 78.439 37.128 -6.915 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 79.876 37.293 -6.468 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 35.226 73.564 27.259 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 35.398 72.631 27.131 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 35.626 73.768 28.104 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 77.144 53.041 6.536 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 76.211 52.918 6.713 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 77.184 53.830 5.996 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 21.542 68.809 24.169 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 21.804 68.129 23.548 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 20.857 68.399 24.697 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 45.778 21.122 44.062 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 45.434 21.000 43.177 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 45.000 21.201 44.613 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 63.164 66.106 52.032 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 62.315 66.013 51.599 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 63.696 65.396 51.672 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 25.259 8.208 53.600 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 24.471 8.633 53.262 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 25.175 8.269 54.552 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 32.579 2.265 -5.239 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 32.578 3.116 -4.802 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 33.506 2.054 -5.350 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 89.821 36.889 21.590 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 88.939 37.147 21.321 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 89.846 37.064 22.531 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 72.382 20.859 -5.869 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 72.121 21.661 -6.322 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 71.630 20.639 -5.319 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 75.889 20.391 -3.872 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 76.518 20.209 -3.174 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 75.083 19.962 -3.587 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 62.419 34.423 -3.904 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 62.013 34.935 -3.204 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 62.637 33.586 -3.494 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 78.330 54.468 44.101 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 78.482 55.035 44.857 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 77.402 54.581 43.898 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 36.823 18.052 22.894 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 37.319 17.305 22.557 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 36.932 18.004 23.844 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 59.361 78.148 2.914 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 59.440 77.215 2.716 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 58.894 78.177 3.749 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 71.977 41.045 30.539 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 72.581 40.355 30.816 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 72.015 41.028 29.583 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 80.239 91.579 1.192 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 80.294 90.655 1.437 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 79.327 91.818 1.360 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 44.538 93.774 47.364 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 45.216 94.443 47.458 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 44.981 92.952 47.573 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 59.381 86.152 3.345 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 60.125 86.609 3.737 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 58.625 86.443 3.854 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 78.818 52.947 41.711 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 77.980 52.578 41.433 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 78.583 53.644 42.323 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 46.635 25.644 1.622 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 47.136 26.282 2.130 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 46.094 25.193 2.270 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 43.140 12.750 1.473 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 42.636 11.958 1.289 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 42.545 13.301 1.982 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 34.750 6.301 50.672 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 34.581 6.186 49.736 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 35.333 7.058 50.719 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 34.568 19.341 56.556 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 33.619 19.285 56.439 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 34.924 19.254 55.672 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 51.285 18.080 43.274 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 50.902 17.586 43.999 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 51.216 18.995 43.545 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 74.427 72.242 36.530 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 74.124 72.140 35.628 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 73.942 71.580 37.023 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 49.595 76.861 -19.920 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 49.943 75.990 -19.731 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 48.645 76.753 -19.887 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 34.536 49.874 61.910 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 34.699 49.847 62.853 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 35.313 49.475 61.520 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 69.265 43.961 7.215 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 68.903 43.143 7.555 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 68.568 44.604 7.342 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 57.234 24.169 30.567 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 56.409 24.650 30.636 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 56.980 23.303 30.247 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 34.895 58.517 53.468 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 35.689 58.968 53.182 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 34.209 59.182 53.415 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 73.062 76.684 38.723 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 72.885 75.781 38.457 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 72.302 77.178 38.416 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 22.089 59.711 -9.461 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 22.979 59.388 -9.607 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 21.579 58.927 -9.259 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 62.010 43.036 -7.086 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 62.562 43.810 -6.975 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 62.587 42.385 -7.486 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 81.370 26.210 2.335 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 81.090 27.125 2.352 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 81.090 25.858 3.180 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 66.156 34.885 36.644 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 66.914 35.132 36.115 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 65.577 34.427 36.034 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 87.932 79.615 -11.105 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 88.635 79.477 -10.470 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 87.284 78.943 -10.895 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 43.746 31.361 49.796 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 43.738 32.098 50.408 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 43.074 31.579 49.150 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 86.072 60.428 66.961 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 86.803 60.000 67.407 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 86.229 61.364 67.085 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 29.798 34.230 55.719 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 30.030 34.397 56.632 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 29.557 33.304 55.698 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 46.699 73.788 -10.814 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 46.866 73.303 -11.622 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 46.063 73.251 -10.340 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 75.935 38.253 48.563 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 76.645 38.398 47.937 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 75.718 37.326 48.469 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 60.380 54.324 55.655 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 60.128 53.413 55.807 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 60.357 54.424 54.704 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 89.754 65.918 30.057 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 89.255 66.078 30.858 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 90.643 65.735 30.360 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 38.389 43.533 47.955 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 38.380 43.470 47.000 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 39.093 44.151 48.149 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 69.445 83.893 0.216 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 69.294 84.834 0.305 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 69.503 83.747 -0.728 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 70.777 41.235 -14.206 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 70.420 41.994 -14.667 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 70.253 41.170 -13.408 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 25.315 94.339 -0.507 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 25.094 95.153 -0.959 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 25.248 93.663 -1.182 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 36.438 2.404 -3.933 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 36.324 2.689 -4.840 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 35.562 2.136 -3.654 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 33.978 86.198 23.776 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 33.538 85.349 23.755 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 34.124 86.415 22.856 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 24.943 57.015 50.475 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 24.873 56.091 50.715 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 24.037 57.301 50.358 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 48.176 45.383 54.163 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 48.781 46.102 53.983 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 47.820 45.580 55.030 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 79.364 77.525 58.166 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 78.457 77.684 57.907 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 79.426 76.573 58.248 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 53.199 82.783 -18.562 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 53.513 83.302 -17.821 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 52.297 82.559 -18.333 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 48.159 3.564 4.323 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 48.349 3.164 5.172 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 48.283 2.856 3.691 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 79.531 43.590 36.445 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 79.977 42.828 36.814 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 78.599 43.384 36.525 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 45.176 45.251 3.864 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 44.900 44.906 4.713 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 44.360 45.508 3.433 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 35.856 40.254 21.668 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 36.667 40.229 22.176 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 36.052 40.832 20.931 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 71.367 28.753 -6.909 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 72.029 28.872 -6.227 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 70.549 28.622 -6.429 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 69.891 87.343 -5.133 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 68.981 87.466 -5.403 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 69.974 86.399 -4.995 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 77.734 83.603 39.284 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 77.442 82.832 39.769 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 78.509 83.906 39.757 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 40.029 69.627 -14.249 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 40.762 69.824 -13.664 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 39.629 68.841 -13.876 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 69.991 5.592 -3.753 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 69.634 5.314 -4.597 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 70.941 5.556 -3.871 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 45.128 66.827 -5.385 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 44.693 67.157 -4.598 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 45.946 67.322 -5.432 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 45.735 62.415 6.409 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 46.116 61.717 6.943 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 46.280 63.181 6.591 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 36.479 44.958 17.155 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 37.374 44.635 17.259 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 36.552 45.671 16.521 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 49.255 94.976 -7.535 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 49.836 94.602 -6.873 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 48.695 94.248 -7.802 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 77.339 45.456 20.712 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 76.784 45.408 21.491 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 78.229 45.331 21.043 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 30.760 77.143 6.401 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 31.240 77.493 7.152 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 31.403 76.609 5.934 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 44.935 92.370 56.906 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 45.102 92.731 56.035 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 44.314 91.657 56.754 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 24.567 68.975 21.783 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 23.728 68.522 21.711 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 25.113 68.388 22.306 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 30.096 38.309 41.285 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 29.853 39.226 41.416 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 30.439 38.277 40.392 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 20.068 4.868 -0.476 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 20.486 4.153 -0.954 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 20.777 5.269 0.026 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 22.124 32.279 -5.694 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 22.900 32.361 -6.248 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 22.124 33.074 -5.161 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 24.914 85.238 19.794 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 24.537 84.368 19.930 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 25.501 85.130 19.046 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 68.275 35.056 66.632 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 67.765 34.531 67.249 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 68.864 35.570 67.185 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 50.436 11.049 7.527 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 50.389 10.583 8.362 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 49.526 11.266 7.322 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 42.141 54.960 60.092 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 41.386 54.700 60.620 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 42.447 55.773 60.495 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 60.442 65.596 45.797 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 59.497 65.626 45.651 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 60.586 64.776 46.271 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 88.736 26.488 -13.319 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 88.193 25.784 -12.966 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 89.609 26.102 -13.398 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 82.092 62.695 30.589 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 82.000 62.365 31.483 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 81.828 63.614 30.644 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 22.551 76.458 -7.689 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 23.499 76.333 -7.727 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 22.356 76.527 -6.754 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 64.912 88.838 -9.459 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 64.849 89.789 -9.547 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 64.406 88.635 -8.672 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 43.590 45.719 -15.236 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 43.983 45.631 -16.105 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 42.666 45.901 -15.409 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 57.212 81.060 25.067 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 57.479 80.283 24.576 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 56.920 80.720 25.913 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 77.637 78.089 39.865 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 78.141 77.366 39.492 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 76.765 77.723 40.013 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 77.997 52.511 1.679 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 77.272 52.184 2.211 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 78.142 53.403 1.994 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 78.354 80.785 14.141 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 78.964 80.048 14.121 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 78.899 81.552 13.961 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 48.597 0.154 19.417 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 48.652 1.091 19.602 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 47.845 -0.147 19.928 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 22.690 48.814 46.166 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 23.445 48.291 45.899 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 22.601 49.476 45.480 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 24.574 35.301 17.454 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 24.014 34.726 17.976 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 24.473 36.164 17.857 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 56.882 38.162 53.817 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 55.933 38.231 53.916 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 57.047 38.406 52.907 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 28.535 22.913 -13.147 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 28.359 22.485 -13.985 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 29.482 22.836 -13.033 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 72.959 12.559 -1.021 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 72.081 12.426 -0.662 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 72.904 12.227 -1.917 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 30.306 70.210 -15.253 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 31.062 70.622 -15.671 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 30.049 70.823 -14.565 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 29.453 47.223 22.743 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 29.761 48.022 22.316 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 29.006 47.530 23.532 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 68.783 57.067 61.091 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 67.901 57.341 61.344 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 68.935 57.496 60.249 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 67.476 0.332 -19.019 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 67.277 0.264 -18.085 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 68.223 0.929 -19.063 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 64.490 41.994 -12.353 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 63.561 42.062 -12.131 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 64.506 41.957 -13.310 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 78.569 87.956 -15.955 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 79.314 87.770 -16.527 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 78.279 88.830 -16.216 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 69.332 77.909 -9.813 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 68.443 78.132 -10.088 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 69.796 78.746 -9.799 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 25.300 46.038 -2.596 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 24.940 45.393 -1.986 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 24.983 46.880 -2.269 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 87.568 78.483 64.226 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 87.541 79.440 64.226 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 86.773 78.220 63.762 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 65.111 46.416 27.919 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 64.675 47.238 27.694 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 64.462 45.933 28.432 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 30.287 76.289 -12.493 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 30.610 77.184 -12.399 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 31.078 75.752 -12.548 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 64.644 9.630 63.612 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 65.138 9.076 64.217 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 64.430 10.411 64.121 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 83.748 62.715 40.205 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 83.782 63.396 39.534 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 83.606 61.904 39.717 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 38.504 3.929 -3.561 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 37.693 3.422 -3.528 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 39.057 3.543 -2.881 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 78.473 76.479 30.142 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 78.166 77.304 30.517 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 77.785 75.848 30.352 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 58.219 0.872 36.323 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 57.332 0.582 36.536 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 58.127 1.331 35.488 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 57.679 0.569 18.359 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 57.963 0.176 19.184 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 57.082 1.271 18.620 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 45.120 68.500 -0.565 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 45.030 68.756 0.353 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 45.792 67.818 -0.559 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 55.571 90.072 -3.870 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 54.722 89.865 -3.480 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 55.403 90.099 -4.811 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 23.893 40.289 1.723 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 24.100 39.613 2.369 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 24.098 41.113 2.165 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 67.916 86.043 15.114 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 67.119 86.086 14.586 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 68.227 86.948 15.153 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 27.718 40.946 36.592 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 27.681 41.758 36.087 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 27.726 40.253 35.931 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 48.679 51.143 57.797 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 49.138 51.610 57.098 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 49.040 50.257 57.770 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 61.466 68.408 57.090 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 60.712 68.766 56.624 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 61.758 69.120 57.659 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 30.300 57.847 4.143 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 29.399 57.769 4.457 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 30.487 57.001 3.736 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 88.654 64.268 -19.375 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 88.030 64.421 -18.666 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 89.496 64.554 -19.021 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 21.955 17.324 -6.087 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 21.716 18.215 -6.340 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 22.552 17.031 -6.776 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 81.623 46.426 11.168 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 81.833 47.317 10.890 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 82.474 46.002 11.278 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 43.715 87.455 29.406 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 42.965 87.922 29.039 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 43.873 87.878 30.250 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 75.238 0.617 53.458 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 75.775 1.292 53.873 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 74.517 1.099 53.052 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 45.514 56.059 -9.339 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 44.644 56.228 -8.978 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 45.857 56.926 -9.554 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 44.511 26.784 67.150 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 44.447 27.427 67.856 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 45.129 27.170 66.529 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 23.750 69.087 61.304 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 24.491 69.606 60.991 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 23.358 68.724 60.510 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 83.123 95.556 -5.759 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 82.439 95.305 -5.139 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 83.914 95.131 -5.428 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 73.063 64.547 14.691 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 73.983 64.387 14.482 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 72.891 63.996 15.455 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 47.750 2.775 49.638 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 47.417 1.878 49.632 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 48.575 2.728 49.155 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 40.483 60.446 58.426 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 41.158 59.779 58.552 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 39.974 60.133 57.678 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 64.677 95.504 28.369 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 63.758 95.649 28.598 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 64.737 95.759 27.448 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 46.568 72.794 33.663 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 46.337 73.672 33.965 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 47.503 72.846 33.466 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 76.669 78.779 -3.702 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 77.183 79.493 -3.325 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 77.272 78.342 -4.304 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 30.886 11.682 -7.858 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 31.122 11.253 -8.680 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 29.930 11.731 -7.878 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 32.097 84.527 29.233 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 31.713 83.668 29.407 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 33.013 84.342 29.025 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 48.491 68.567 -17.855 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 47.600 68.676 -17.523 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 48.471 67.732 -18.324 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 69.603 85.953 33.248 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 69.047 85.174 33.267 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 69.428 86.352 32.396 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 74.232 58.941 -15.927 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 73.748 59.763 -15.841 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 74.862 58.958 -15.206 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 23.162 95.452 -9.052 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 23.188 94.622 -9.529 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 23.353 95.213 -8.145 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 77.925 57.363 14.823 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 77.795 56.655 15.453 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 77.055 57.748 14.712 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 38.200 85.096 11.649 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 37.765 85.253 10.811 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 37.997 85.871 12.174 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 54.229 0.427 16.648 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 53.453 0.654 17.161 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 54.586 1.269 16.367 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 65.873 17.220 39.486 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 65.449 17.797 38.851 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 65.245 16.512 39.625 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 22.173 7.765 6.832 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 22.139 7.128 7.545 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 21.820 8.570 7.212 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 42.025 68.637 27.495 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 41.678 68.422 26.629 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 42.361 69.528 27.405 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 58.422 61.686 32.355 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 57.759 61.055 32.635 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 58.029 62.128 31.602 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 57.222 22.958 22.045 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 56.695 23.131 22.825 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 57.585 23.812 21.807 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 87.732 49.575 34.278 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 87.900 48.635 34.346 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 88.106 49.825 33.433 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 46.735 49.580 47.853 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 47.067 50.020 48.635 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 47.168 50.025 47.125 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 86.460 85.431 47.471 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 85.827 85.047 48.078 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 86.634 84.738 46.834 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 43.452 91.754 28.991 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 44.125 91.521 28.351 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 42.978 92.480 28.587 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 33.221 13.223 37.251 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 33.173 14.085 36.837 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 33.987 12.809 36.854 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 59.072 9.335 8.138 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 59.001 9.488 7.195 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 58.174 9.159 8.421 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 70.882 14.325 -9.695 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 70.091 14.484 -9.179 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 71.268 15.193 -9.816 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 28.487 2.766 9.686 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 29.364 2.856 10.058 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 27.923 2.594 10.440 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 65.100 52.819 16.401 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 65.075 51.863 16.452 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 64.181 53.080 16.339 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 57.163 82.792 2.346 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 56.603 82.883 3.117 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 56.754 83.351 1.685 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 75.970 19.076 53.402 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 76.484 18.322 53.113 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 75.575 19.418 52.600 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 34.615 57.946 -9.145 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 33.775 57.519 -8.975 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 34.585 58.751 -8.627 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 37.482 3.951 37.862 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 37.114 4.032 36.982 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 37.900 4.796 38.027 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 66.509 75.396 7.057 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 66.843 74.576 7.420 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 65.659 75.517 7.480 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 53.095 0.780 2.698 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 53.659 1.411 3.145 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 53.300 -0.059 3.111 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 53.495 44.763 -2.874 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 54.335 44.733 -3.332 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 53.514 44.007 -2.287 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 31.091 81.552 9.210 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 30.996 81.033 10.009 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 30.852 80.951 8.504 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 66.889 12.314 38.861 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 66.375 11.610 39.257 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 67.289 12.766 39.604 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 33.424 31.814 44.741 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 33.311 31.538 43.832 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 34.344 31.632 44.935 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 81.818 88.895 -3.448 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 81.320 89.327 -4.141 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 82.503 88.412 -3.910 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 89.502 63.097 16.324 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 90.372 62.707 16.240 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 89.552 63.907 15.816 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 60.356 50.101 48.295 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 60.987 50.820 48.339 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 60.360 49.834 47.375 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 33.075 69.842 62.684 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 33.026 68.886 62.662 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 33.017 70.063 63.613 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 70.170 1.947 66.059 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 69.239 1.975 65.842 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 70.325 1.043 66.334 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 57.522 93.352 21.931 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 56.567 93.281 21.936 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 57.825 92.489 21.647 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 81.638 58.532 60.730 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 81.594 58.626 61.682 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 81.099 59.248 60.393 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 30.445 89.223 47.539 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 31.226 89.773 47.473 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 30.268 88.948 46.640 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 88.529 93.272 29.741 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 88.089 93.596 28.955 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 89.462 93.379 29.555 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 86.076 65.891 -11.130 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 85.555 66.535 -10.650 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 86.370 65.273 -10.460 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 22.112 57.534 21.199 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 22.852 56.927 21.211 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 21.341 56.970 21.129 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 88.170 37.878 2.618 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 87.945 38.598 3.207 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 89.100 37.719 2.778 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 83.950 50.146 -8.860 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 84.900 50.170 -8.743 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 83.788 49.335 -9.342 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 52.049 77.296 48.770 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 52.221 76.646 49.452 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 51.515 76.831 48.125 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 81.672 16.589 40.030 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 81.439 16.788 40.937 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 82.617 16.734 39.988 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 76.977 71.740 29.529 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 77.176 71.106 30.218 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 76.847 71.208 28.744 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 75.443 27.542 65.890 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 74.760 27.248 66.493 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 75.023 28.226 65.368 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 87.185 1.061 57.540 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 86.447 0.459 57.638 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 87.960 0.502 57.602 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 61.530 54.834 28.415 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 60.964 55.301 29.029 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 61.052 54.854 27.586 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 78.207 54.215 -17.305 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 77.634 54.017 -16.564 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 78.743 54.949 -17.004 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 68.439 79.017 40.294 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 68.521 79.422 39.431 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 69.074 78.301 40.284 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 20.601 90.899 -14.958 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 20.000 90.946 -14.215 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 20.608 89.974 -15.204 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 43.580 87.773 4.692 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 43.234 86.940 5.012 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 44.374 87.917 5.207 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 21.388 27.451 59.048 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 22.054 27.890 58.519 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 21.858 26.741 59.486 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 54.455 39.666 0.174 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 54.521 40.285 -0.554 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 53.867 40.091 0.798 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 88.500 69.851 -1.767 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 88.389 69.359 -0.954 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 87.758 69.588 -2.311 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 74.033 78.749 -8.408 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 73.501 78.924 -9.185 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 73.395 78.614 -7.707 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 31.092 86.422 26.730 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 30.598 86.324 27.543 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 31.976 86.659 27.012 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 67.425 83.181 61.901 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 66.785 83.358 62.591 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 68.060 83.894 61.973 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 80.803 88.394 50.887 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 81.338 88.519 50.103 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 81.067 89.105 51.472 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 84.264 50.346 11.922 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 84.336 51.205 12.339 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 85.134 50.181 11.560 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 49.508 11.579 47.905 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 49.588 12.349 48.467 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 49.093 11.906 47.107 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 51.225 67.781 7.349 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 51.854 67.526 8.024 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 50.383 67.806 7.803 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 64.294 62.758 30.087 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 63.673 62.460 29.422 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 64.013 63.649 30.296 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 23.304 35.708 36.527 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 23.304 36.548 36.986 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 22.461 35.682 36.073 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 69.999 56.379 18.148 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 69.073 56.216 18.325 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 70.282 55.624 17.632 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 52.473 9.388 6.851 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 51.766 8.848 6.497 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 52.027 10.115 7.285 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 44.111 47.850 -19.084 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 43.859 48.600 -18.546 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 44.745 48.203 -19.708 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 85.772 64.411 19.846 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 86.498 63.878 20.170 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 85.947 64.512 18.910 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 81.404 95.705 -18.605 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 81.582 96.492 -18.089 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 82.245 95.489 -19.009 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 29.094 29.133 66.780 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 29.741 29.304 66.096 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 28.601 28.377 66.459 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 37.694 11.008 19.905 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 37.570 10.637 19.031 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 38.588 11.349 19.897 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 70.022 95.243 26.261 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 69.776 94.726 27.029 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 70.525 94.638 25.716 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 63.863 87.143 43.082 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 63.780 86.605 42.294 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 63.759 86.526 43.806 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 21.371 5.693 63.071 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 21.189 4.924 63.611 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 22.299 5.615 62.848 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 50.557 17.580 -15.664 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 51.190 17.121 -16.217 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 51.054 18.301 -15.277 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 35.362 50.717 34.592 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 36.171 50.226 34.737 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 35.251 51.236 35.389 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 78.658 57.016 22.639 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 78.617 57.034 23.595 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 78.564 56.091 22.412 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 33.902 72.589 -19.678 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 33.945 73.454 -19.270 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 34.679 72.132 -19.356 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 31.323 35.281 9.252 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 31.087 34.399 8.966 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 31.155 35.833 8.488 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 70.320 83.846 5.281 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 69.878 83.244 4.683 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 69.642 84.108 5.904 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 68.973 26.629 32.633 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 69.896 26.469 32.833 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 68.580 26.854 33.477 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 65.438 89.222 41.887 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 65.162 88.430 42.349 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 65.609 88.929 40.992 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 86.670 84.204 56.388 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 86.417 85.106 56.588 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 87.479 84.287 55.884 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 38.064 88.328 -2.353 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 37.365 88.093 -1.743 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 38.655 88.878 -1.840 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 55.057 66.531 28.073 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 55.363 65.935 28.756 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 55.360 66.136 27.256 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 69.091 63.659 -10.912 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 68.921 63.053 -10.191 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 68.648 63.266 -11.665 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 60.882 56.731 24.096 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 59.926 56.733 24.149 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 61.098 57.537 23.627 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 86.043 3.703 60.581 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 86.506 2.866 60.568 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 85.817 3.838 61.501 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 66.977 47.922 -18.145 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 66.278 47.994 -17.494 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 66.897 48.717 -18.672 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 87.914 79.107 2.174 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 87.629 78.199 2.071 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 87.969 79.235 3.121 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 72.658 38.428 39.573 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 73.013 39.142 39.044 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 73.134 37.651 39.278 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 27.331 86.024 -19.127 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 27.087 85.121 -19.329 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 28.280 86.050 -19.253 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 85.810 83.174 67.022 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 86.043 83.041 67.941 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 85.258 82.423 66.804 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 25.725 63.270 13.050 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 25.145 63.971 13.348 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 26.306 63.107 13.793 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 23.480 53.421 16.397 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 23.546 54.259 15.939 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 24.067 52.838 15.916 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 52.699 21.734 1.902 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 52.166 21.585 2.683 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 53.596 21.788 2.230 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 50.660 50.472 -7.916 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 50.602 51.428 -7.899 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 51.367 50.264 -7.305 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 36.212 12.020 50.121 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 36.677 11.770 50.919 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 36.646 12.822 49.830 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 31.053 75.699 53.041 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 30.253 76.166 53.280 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 31.482 76.269 52.402 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 66.018 21.039 1.164 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 65.918 21.041 2.116 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 66.263 20.139 0.950 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 27.118 29.408 50.531 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 27.487 29.683 49.691 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 26.175 29.357 50.374 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 83.206 81.962 10.420 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 84.053 81.999 9.975 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 83.423 81.779 11.334 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 77.732 84.305 65.190 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 76.905 84.126 65.638 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 77.487 84.850 64.442 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 69.216 64.697 13.796 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 68.976 63.929 14.314 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 69.117 64.413 12.887 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 52.619 3.623 13.213 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 53.017 3.676 14.082 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 51.755 4.021 13.320 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 33.601 92.152 43.993 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 34.502 92.416 44.180 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 33.643 91.754 43.123 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 34.775 96.027 9.253 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 35.291 95.489 9.853 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 35.344 96.152 8.493 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 90.753 86.696 3.271 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 90.091 86.102 3.624 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 90.422 87.572 3.472 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 50.643 77.320 64.341 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 49.936 76.732 64.604 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 50.557 78.075 64.923 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 61.891 82.226 40.470 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 62.445 82.568 39.768 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 62.062 81.284 40.473 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 66.261 74.612 19.169 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 66.129 75.543 18.993 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 65.391 74.285 19.397 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 29.022 56.747 35.028 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 29.473 57.548 35.295 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 28.907 56.840 34.082 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 56.263 40.692 46.086 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 56.010 41.515 45.669 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 55.667 40.041 45.715 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 62.057 64.369 29.253 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 61.699 63.757 28.611 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 61.311 64.602 29.806 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 46.091 12.385 25.209 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 45.307 12.493 24.671 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 46.344 13.278 25.446 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 83.651 29.488 49.093 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 84.051 29.721 48.255 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 84.148 29.986 49.742 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 28.091 51.765 62.676 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 28.448 52.308 63.379 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 28.790 51.144 62.474 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 59.262 83.329 64.521 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 59.231 82.550 65.078 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 59.851 83.088 63.806 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 41.055 20.718 25.221 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 41.491 21.553 25.050 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 41.716 20.057 25.014 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 71.933 40.250 -9.331 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 71.877 39.629 -10.057 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 71.693 41.093 -9.716 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 45.053 45.721 -17.774 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 45.921 46.120 -17.837 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 44.456 46.392 -18.104 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 65.131 88.525 12.063 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 64.844 87.613 12.102 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 64.929 88.802 11.169 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 69.369 29.436 -0.459 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 70.247 29.712 -0.197 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 68.869 29.416 0.357 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 71.884 21.190 0.315 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 72.482 21.895 0.065 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 71.138 21.637 0.713 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 26.597 74.203 61.998 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 25.918 74.542 62.581 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 26.416 74.616 61.154 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 32.421 86.333 -15.538 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 33.067 86.930 -15.916 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 31.984 86.850 -14.861 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 48.257 36.989 -9.327 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 48.797 37.562 -8.783 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 48.768 36.184 -9.409 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 50.995 88.192 -15.857 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 51.710 88.680 -15.448 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 50.414 87.965 -15.132 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 37.251 78.218 54.209 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 36.839 77.722 53.501 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 37.495 79.052 53.808 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 62.107 52.483 -3.566 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 61.375 53.096 -3.630 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 61.781 51.677 -3.966 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 55.933 38.808 37.417 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 55.048 39.142 37.268 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 56.058 38.149 36.735 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 30.149 79.009 40.842 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 30.822 78.583 41.372 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 30.626 79.656 40.323 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 62.423 50.235 -17.250 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 62.693 49.570 -16.617 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 62.316 51.032 -16.730 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 77.697 45.304 43.755 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 77.303 45.866 44.423 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 77.331 45.621 42.929 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 58.736 42.763 -8.660 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 59.084 41.885 -8.817 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 58.908 42.928 -7.733 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 41.450 12.599 51.454 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 40.780 13.019 51.994 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 42.228 13.144 51.570 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 75.509 82.592 53.001 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 74.645 82.998 53.065 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 75.797 82.779 52.108 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 49.773 1.022 -2.887 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 48.893 0.997 -3.263 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 49.907 0.144 -2.532 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 27.458 17.798 53.052 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 27.995 18.086 53.790 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 27.311 16.866 53.211 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 63.993 77.337 -12.792 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 63.531 77.364 -11.954 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 63.878 76.439 -13.101 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 52.531 40.872 -13.011 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 52.462 40.499 -12.132 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 51.778 41.458 -13.082 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 39.094 58.432 2.560 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 38.165 58.250 2.704 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 39.451 58.570 3.437 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 47.818 31.763 6.029 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 47.362 32.592 6.175 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 48.349 31.639 6.815 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 79.492 68.681 20.859 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 79.369 68.357 19.966 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 78.776 68.288 21.358 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 35.337 94.292 5.781 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 34.790 94.998 5.437 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 34.743 93.546 5.863 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 64.236 14.430 39.385 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 64.163 14.838 38.522 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 65.028 13.896 39.332 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 26.551 14.282 -13.449 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 26.415 15.114 -13.903 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 25.670 13.982 -13.228 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 42.700 91.111 44.673 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 42.385 91.643 45.403 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 43.526 91.521 44.416 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 36.483 2.559 -12.182 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 35.993 2.520 -11.361 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 36.228 3.394 -12.574 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 51.035 28.091 29.597 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 50.107 27.897 29.463 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 51.335 28.425 28.752 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 72.301 91.565 24.124 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 71.743 91.403 24.885 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 72.120 90.834 23.534 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 21.787 80.456 9.195 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 22.407 79.904 8.718 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 21.223 79.838 9.659 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 65.438 7.684 37.996 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 65.062 7.008 38.559 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 66.168 7.249 37.554 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 69.432 58.531 -4.789 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 68.758 58.748 -5.433 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 69.190 57.659 -4.474 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 52.788 63.456 46.954 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 52.693 63.313 46.012 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 53.412 62.788 47.236 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 55.163 86.081 30.263 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 54.294 85.693 30.361 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 55.413 85.887 29.359 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 48.478 79.641 -19.012 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 47.862 79.509 -18.292 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 49.324 79.366 -18.658 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 67.611 82.915 45.351 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 67.050 82.145 45.250 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 67.758 82.982 46.294 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 79.828 84.132 6.301 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 79.814 83.249 6.670 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 79.161 84.117 5.614 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 88.314 52.750 14.785 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 89.204 53.016 15.014 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 87.830 53.572 14.709 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 38.138 66.307 1.912 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 37.242 66.443 2.220 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 38.687 66.681 2.601 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 25.375 63.634 -5.951 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 24.672 64.076 -6.427 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 24.941 63.237 -5.196 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 71.522 12.548 38.301 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 71.977 11.706 38.275 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 72.219 13.194 38.417 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 34.307 57.816 31.590 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 35.155 57.457 31.328 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 34.509 58.693 31.917 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 37.272 5.278 -0.382 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 37.921 4.639 -0.675 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 36.709 4.790 0.219 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 88.632 2.531 53.118 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 88.120 2.461 52.312 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 88.028 2.263 53.810 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 35.095 19.888 47.516 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 34.698 19.025 47.637 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 34.919 20.350 48.336 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 83.345 56.445 26.903 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 82.927 56.558 26.049 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 83.948 55.712 26.780 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 25.298 73.590 15.936 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 25.283 72.640 16.053 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 24.525 73.902 16.406 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 36.986 3.710 10.969 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 36.205 4.258 10.900 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 36.991 3.412 11.879 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 89.919 73.722 35.002 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 89.219 73.467 35.602 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 89.505 74.335 34.396 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 39.197 94.502 -3.410 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 39.000 94.225 -4.305 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 38.720 95.325 -3.303 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 24.770 51.604 64.721 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 25.477 52.246 64.783 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 25.009 50.923 65.350 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 22.890 85.607 49.085 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 23.514 85.227 49.703 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 23.224 86.487 48.916 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 60.053 82.130 -0.589 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 59.100 82.054 -0.647 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 60.321 81.382 -0.056 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 80.805 86.299 46.623 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 80.006 86.053 47.089 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 80.600 87.146 46.227 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 64.908 56.086 -9.481 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 65.518 56.437 -10.130 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 64.314 56.812 -9.293 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 37.435 56.187 28.600 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 37.152 57.100 28.561 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 38.357 56.232 28.854 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 56.883 53.114 -15.804 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 57.003 52.166 -15.861 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 57.217 53.347 -14.938 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 44.938 90.968 22.416 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 44.159 90.726 22.917 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 45.306 90.133 22.126 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 75.930 95.163 -15.759 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 75.517 95.316 -16.609 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 76.868 95.245 -15.929 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 34.595 17.157 46.929 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 33.828 17.163 46.356 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 35.334 17.321 46.344 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 89.559 93.607 34.526 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 90.253 93.229 33.987 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 89.918 93.606 35.414 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 71.826 62.462 -20.088 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 72.448 61.830 -20.448 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 71.647 62.145 -19.203 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 86.104 92.811 24.921 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 86.355 92.618 24.017 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 85.268 92.359 25.039 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 79.403 85.910 63.532 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 79.556 85.372 62.755 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 79.748 85.388 64.257 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 86.998 51.858 63.717 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 87.491 52.101 64.501 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 87.664 51.562 63.096 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 80.155 53.667 24.612 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 80.289 54.574 24.337 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 80.464 53.643 25.518 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 77.927 87.014 10.607 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 77.246 86.354 10.739 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 78.153 86.944 9.680 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 77.564 79.015 24.178 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 77.229 78.560 24.951 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 78.264 79.575 24.514 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 88.759 87.062 59.135 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 89.307 87.307 59.881 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 89.233 86.345 58.714 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 62.940 91.069 -6.148 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 63.181 91.897 -5.733 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 62.755 90.479 -5.417 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 60.292 14.748 18.920 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 60.879 14.424 19.603 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 60.544 15.664 18.801 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 43.531 30.793 57.014 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 43.949 31.613 56.752 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 42.776 31.065 57.536 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 60.126 5.293 64.632 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 60.259 5.044 65.546 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 60.757 4.764 64.144 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 73.107 55.131 -11.498 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 72.309 55.620 -11.696 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 72.918 54.237 -11.783 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 90.248 21.520 -2.733 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 89.341 21.782 -2.574 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 90.772 22.213 -2.330 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 33.530 30.118 51.803 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 32.750 29.646 52.094 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 34.242 29.484 51.893 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 80.285 6.914 55.188 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 81.187 7.072 54.910 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 80.030 6.112 54.731 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 64.255 7.339 66.584 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 63.998 6.438 66.386 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 63.674 7.877 66.046 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 65.338 2.185 31.612 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 65.270 2.184 32.566 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 65.724 1.335 31.398 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 21.573 71.477 34.726 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 20.997 72.210 34.944 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 20.994 70.828 34.327 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 32.144 31.892 60.754 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 32.115 31.104 61.296 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 32.042 31.571 59.858 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 51.205 79.753 57.660 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 51.707 79.417 56.917 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 51.867 79.989 58.310 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 86.293 86.968 56.383 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 85.975 87.065 57.281 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 87.130 87.433 56.373 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 89.325 6.426 47.293 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 88.934 7.241 46.979 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 90.192 6.404 46.886 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 34.986 46.000 54.122 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 34.765 46.598 54.836 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 34.803 46.500 53.326 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 65.764 8.256 45.249 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 65.410 8.091 46.123 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 66.629 7.846 45.258 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 46.983 66.537 -0.854 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 47.893 66.413 -0.584 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 46.657 65.652 -1.015 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 35.596 18.070 54.252 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 36.517 18.078 54.516 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 35.611 17.782 53.339 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 82.663 55.681 39.289 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 82.817 56.380 39.925 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 82.046 55.093 39.725 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 62.727 2.337 16.147 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 62.422 2.433 15.245 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 63.417 2.994 16.238 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 40.352 23.535 53.015 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 40.133 22.959 52.283 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 41.167 23.176 53.368 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 25.662 2.908 -19.944 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 24.737 2.726 -19.782 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 25.803 3.780 -19.574 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 81.915 44.398 55.112 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 81.622 45.266 54.832 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 82.234 44.530 56.005 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 51.215 12.541 14.044 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 51.910 12.690 13.404 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 51.660 12.556 14.891 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 63.685 93.085 6.711 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 63.379 92.898 7.598 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 62.938 92.877 6.150 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 74.609 45.375 37.031 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 73.911 45.984 36.787 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 75.349 45.937 37.259 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 52.357 28.364 -17.651 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 52.520 28.634 -16.747 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 51.404 28.368 -17.734 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 72.116 17.575 13.199 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 71.592 18.268 12.798 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 71.551 17.211 13.881 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 53.176 72.678 30.958 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 52.540 72.659 30.244 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 53.166 71.789 31.313 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 43.494 73.575 5.022 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 43.697 72.651 5.166 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 44.344 74.014 5.040 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 27.244 12.727 -4.527 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 27.387 12.793 -3.582 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 27.470 13.594 -4.865 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 20.486 94.293 19.672 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 20.323 94.474 20.598 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 21.428 94.424 19.564 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 49.175 26.266 -16.704 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 49.015 25.783 -15.894 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 49.873 25.779 -17.141 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 85.744 78.343 22.966 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 85.519 77.552 22.476 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 85.437 78.170 23.856 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 81.231 46.290 66.447 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 80.741 46.304 65.625 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 80.558 46.306 67.128 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 25.639 62.663 -17.064 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 25.139 61.876 -16.844 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 26.051 62.459 -17.903 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 21.585 37.422 -8.454 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 21.990 37.679 -7.626 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 22.035 37.949 -9.115 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 80.020 93.598 -11.296 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 79.209 94.033 -11.557 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 80.667 93.892 -11.937 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 39.877 72.203 19.271 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 39.669 71.287 19.457 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 40.816 72.203 19.084 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 67.790 91.337 54.558 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 68.494 91.128 55.171 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 67.539 90.492 54.184 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 70.114 18.868 8.268 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 69.620 18.620 9.050 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 69.506 19.409 7.763 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 72.555 19.996 4.174 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 72.101 19.154 4.136 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 71.870 20.645 4.014 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 78.869 86.801 -11.001 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 78.315 87.573 -10.891 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 78.830 86.354 -10.156 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 26.333 65.382 -17.209 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 25.479 65.796 -17.089 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 26.158 64.444 -17.132 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 52.287 61.210 56.868 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 51.533 60.739 56.512 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 52.891 61.289 56.130 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 21.693 38.783 -17.721 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 22.089 39.652 -17.658 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 20.785 38.913 -17.450 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 65.073 41.122 -15.025 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 64.876 41.368 -15.929 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 65.764 40.464 -15.100 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 42.633 78.596 57.088 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 41.730 78.910 57.052 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 42.609 77.863 57.703 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 28.393 7.877 2.307 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 28.100 8.746 2.031 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 27.798 7.272 1.864 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 71.910 58.153 23.795 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 71.772 59.091 23.929 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 71.097 57.746 24.095 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 53.335 84.456 66.404 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 53.428 83.908 67.184 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 54.202 84.449 66.001 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 45.461 91.251 44.109 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 45.819 92.139 44.095 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 45.447 90.984 43.190 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 71.823 25.126 3.207 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 72.772 25.038 3.115 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 71.679 25.195 4.150 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 38.374 86.939 49.853 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 37.496 87.087 50.203 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 38.477 87.605 49.173 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 54.530 19.368 -19.145 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 54.095 18.837 -19.813 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 54.575 20.244 -19.527 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 63.121 94.259 11.744 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 63.934 93.874 12.073 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 62.432 93.678 12.067 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 90.205 42.616 54.965 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 89.456 43.062 55.361 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 90.719 43.317 54.566 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 62.408 58.220 29.344 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 61.607 58.139 29.861 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 62.185 58.842 28.652 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 69.019 69.206 38.486 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 68.829 68.317 38.786 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 69.853 69.130 38.023 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 71.861 36.074 5.422 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 72.611 35.514 5.621 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 72.232 36.951 5.333 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 86.556 82.024 40.544 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 87.381 82.149 40.075 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 85.890 82.388 39.960 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 28.257 10.908 30.965 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 27.979 11.790 31.213 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 27.667 10.326 31.445 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 36.004 82.473 59.898 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 35.253 82.636 60.469 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 35.743 81.719 59.368 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 33.189 64.829 13.803 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 33.416 63.927 14.030 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 33.632 64.985 12.968 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 41.626 26.018 5.406 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 42.440 25.534 5.544 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 40.996 25.602 5.994 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 23.887 66.389 6.345 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 24.504 67.062 6.058 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 23.040 66.835 6.371 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 64.321 41.431 -17.735 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 64.306 41.223 -18.670 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 63.731 42.179 -17.647 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 38.994 72.423 -4.305 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 38.161 72.840 -4.088 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 39.383 72.207 -3.457 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 62.511 52.116 41.741 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 61.614 52.449 41.698 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 62.850 52.446 42.574 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 21.101 93.751 29.048 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 21.748 93.720 29.753 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 21.575 94.121 28.304 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 56.491 76.857 64.330 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 57.091 77.086 63.620 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 56.191 75.974 64.114 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 75.518 66.205 -14.574 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 74.850 66.884 -14.480 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 76.270 66.537 -14.083 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 42.401 96.322 -10.005 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 42.987 97.063 -10.160 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 42.555 96.081 -9.092 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 72.442 5.993 54.461 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 71.729 5.499 54.057 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 73.238 5.547 54.171 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 42.521 93.302 26.920 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 41.898 94.016 26.787 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 42.222 92.609 26.330 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 67.421 60.538 57.169 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 66.554 60.909 57.008 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 67.971 60.903 56.477 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 71.226 30.859 35.377 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 70.804 31.528 35.915 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 70.525 30.523 34.818 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 31.670 20.109 -9.532 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 31.449 19.806 -8.651 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 30.857 20.488 -9.866 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 75.173 62.574 54.078 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 74.889 63.480 54.192 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 74.424 62.050 54.362 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 31.416 51.443 37.312 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 30.614 51.743 36.883 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 31.540 50.550 36.991 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 46.427 50.283 6.669 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 47.348 50.056 6.800 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 46.337 51.155 7.053 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 70.498 85.924 23.982 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 69.771 85.376 24.278 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 71.121 85.308 23.596 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 33.027 48.837 49.123 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 33.474 49.610 49.469 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 33.546 48.582 48.361 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 55.974 77.136 60.067 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 56.624 76.448 60.209 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 55.324 76.998 60.756 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 72.605 12.684 47.772 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 72.108 12.088 47.212 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 72.295 13.556 47.528 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 70.266 13.089 3.729 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 70.604 12.490 4.395 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 69.564 12.598 3.300 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 47.547 82.619 -8.123 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 46.881 81.932 -8.148 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 47.057 83.432 -8.253 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 27.658 3.796 57.910 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 27.933 4.159 57.068 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 28.408 3.937 58.488 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 55.589 10.888 54.856 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 55.192 10.898 53.985 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 54.922 10.496 55.420 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 59.757 84.207 54.269 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 60.522 84.560 54.722 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 59.742 83.280 54.510 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 56.707 91.505 27.029 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 56.446 90.585 27.061 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 56.404 91.810 26.174 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 87.167 74.804 31.433 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 87.555 74.306 30.714 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 86.327 75.108 31.089 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 63.680 55.499 65.508 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 64.632 55.401 65.488 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 63.531 56.431 65.348 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 78.285 38.830 49.811 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 77.385 38.510 49.872 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 78.826 38.056 49.966 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 82.648 74.620 27.261 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 82.745 74.516 28.207 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 82.508 73.731 26.935 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 65.431 23.811 66.879 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 64.491 23.801 66.699 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 65.674 24.736 66.839 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 41.195 94.035 65.720 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 41.098 94.979 65.840 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 42.040 93.828 66.119 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 76.554 56.908 42.878 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 77.273 57.434 43.228 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 76.435 57.229 41.984 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 90.076 10.294 52.342 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 89.292 10.617 52.785 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 90.166 10.856 51.573 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 44.017 50.617 57.609 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 43.107 50.803 57.377 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 44.193 51.183 58.360 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 31.879 22.802 10.643 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 32.807 22.590 10.546 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 31.682 22.603 11.559 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 75.074 36.339 15.050 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 74.536 36.120 14.289 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 75.964 36.101 14.791 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 64.472 69.362 35.531 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 63.907 69.550 34.782 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 64.813 68.484 35.361 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 61.555 0.713 63.778 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 62.467 0.952 63.613 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 61.566 -0.242 63.843 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 53.014 24.226 56.535 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 52.446 23.562 56.144 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 53.900 23.952 56.299 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 44.932 67.939 -19.354 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 45.441 68.163 -18.575 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 44.263 67.333 -19.037 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 34.387 50.522 51.558 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 34.216 49.648 51.909 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 33.806 51.098 52.054 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 28.486 76.464 53.293 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 27.800 76.265 53.931 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 28.672 77.394 53.423 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 36.101 64.885 62.791 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 36.716 65.536 63.130 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 35.696 65.308 62.034 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 90.362 57.623 -10.291 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 90.284 56.701 -10.043 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 91.160 57.662 -10.819 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 45.698 37.248 13.315 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 45.479 36.358 13.038 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 45.744 37.198 14.270 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 34.476 36.878 50.853 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 34.724 37.250 50.007 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 34.483 37.623 51.454 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 50.784 75.952 -9.588 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 49.892 75.850 -9.254 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 50.763 75.550 -10.456 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 41.804 91.176 -14.504 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 41.618 90.614 -15.256 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 41.990 90.566 -13.789 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 78.398 50.487 -5.510 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 77.565 50.804 -5.160 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 78.965 50.407 -4.744 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 50.009 70.211 60.864 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 49.963 69.255 60.833 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 50.604 70.399 61.590 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 67.082 70.423 -17.099 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 67.835 70.851 -17.507 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 66.585 71.139 -16.703 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 37.687 26.711 48.633 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 37.759 27.098 49.506 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 37.732 27.457 48.036 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 34.614 63.247 -4.179 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 34.374 64.162 -4.032 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 33.798 62.824 -4.446 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 83.106 60.753 67.365 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 82.718 59.905 67.151 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 83.919 60.780 66.860 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 53.692 82.863 30.772 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 53.097 83.142 30.076 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 54.244 82.197 30.363 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 87.967 72.609 47.900 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 87.169 72.102 48.053 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 88.043 72.654 46.947 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 88.925 16.843 41.221 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 89.063 17.760 40.981 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 88.793 16.861 42.169 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 37.532 34.816 29.108 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 38.284 35.375 29.300 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 36.807 35.427 28.976 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 23.842 40.572 30.397 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 24.624 40.021 30.424 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 24.175 41.466 30.482 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 21.471 60.468 22.674 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 20.591 60.173 22.439 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 21.952 59.662 22.860 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 75.764 43.206 -16.270 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 76.170 44.071 -16.215 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 76.084 42.842 -17.095 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 73.763 0.438 41.283 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 73.038 1.058 41.365 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 73.883 0.090 42.166 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 56.656 13.433 -5.639 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 56.815 12.707 -6.242 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 56.764 13.050 -4.768 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 83.440 58.941 24.236 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 82.487 58.959 24.323 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 83.734 59.750 24.655 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 32.539 59.838 35.353 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 33.079 59.958 34.571 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 31.719 59.470 35.023 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 24.728 27.618 47.031 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 24.425 28.006 47.852 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 23.932 27.291 46.612 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 40.725 5.054 42.949 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 40.507 5.906 43.328 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 41.170 4.584 43.655 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 22.510 62.971 24.617 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 22.816 62.451 25.360 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 22.377 62.332 23.916 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 68.723 89.265 45.580 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 68.308 89.714 44.843 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 68.136 89.426 46.319 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 26.597 29.906 9.892 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 27.279 29.308 10.195 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 26.568 30.595 10.556 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 48.209 18.603 -9.987 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 48.226 18.220 -10.864 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 47.468 18.180 -9.554 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 52.918 29.102 61.211 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 53.613 29.737 61.043 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 52.205 29.367 60.631 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 80.204 52.418 56.075 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 79.342 52.304 56.475 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 80.044 52.975 55.314 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 39.694 12.837 33.459 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 40.106 13.256 32.703 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 38.845 12.538 33.134 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 83.746 71.206 44.023 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 82.957 71.280 43.487 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 84.438 70.980 43.401 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 53.142 68.696 46.245 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 52.449 68.666 46.905 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 53.066 69.569 45.858 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 66.814 3.676 -10.204 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 67.089 3.399 -11.078 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 66.944 4.625 -10.202 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 20.707 1.376 43.312 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 21.462 1.935 43.128 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 21.017 0.488 43.136 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 66.699 34.133 42.216 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 67.330 34.837 42.068 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 66.135 34.149 41.442 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 63.909 1.788 63.119 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 64.409 2.047 62.345 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 64.552 1.372 63.693 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 87.496 72.048 -3.602 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 87.032 72.224 -2.784 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 88.421 72.163 -3.383 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 28.804 75.953 -14.820 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 29.378 75.309 -15.234 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 29.116 76.006 -13.916 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 85.063 72.561 -4.835 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 84.881 71.664 -5.117 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 85.861 72.490 -4.312 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 69.221 89.268 18.360 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 69.938 89.735 18.789 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 68.869 88.693 19.039 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 26.273 79.149 39.204 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 25.391 79.126 38.832 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 26.638 78.286 39.009 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 77.357 47.699 60.719 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 77.138 48.124 59.890 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 77.098 48.333 61.389 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 44.003 48.851 -14.282 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 44.453 49.518 -14.800 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 43.938 48.096 -14.868 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 33.128 19.310 -6.528 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 32.594 20.091 -6.383 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 33.780 19.332 -5.828 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 64.272 57.235 31.444 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 63.741 56.654 31.988 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 63.688 57.498 30.733 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 51.669 91.463 7.880 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 50.967 92.063 7.626 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 51.228 90.773 8.376 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 45.876 9.881 -7.427 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 46.823 10.020 -7.390 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 45.554 10.577 -8.001 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 31.119 66.271 60.997 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 30.635 66.149 60.181 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 31.318 65.383 61.294 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 27.806 79.459 65.413 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 28.701 79.735 65.216 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 27.821 79.244 66.346 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 33.624 75.220 54.654 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 32.799 75.224 55.140 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 33.442 75.734 53.868 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 72.069 47.660 45.694 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 72.627 46.907 45.500 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 71.715 47.922 44.844 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 82.323 5.697 35.695 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 81.401 5.444 35.657 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 82.794 4.935 35.358 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 82.619 73.454 1.929 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 42.018 80.565 6.006 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 59.099 65.808 65.025 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 58.261 13.611 56.980 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 80.823 21.710 66.647 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 62.315 26.792 -7.128 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 87.073 74.531 52.365 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 68.812 32.671 28.532 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 65.835 39.920 2.354 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 67.910 27.075 11.068 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 36.596 78.620 -17.978 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 66.539 29.977 36.873 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 66.492 1.819 12.402 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 22.367 69.454 63.574 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 21.321 78.213 44.868 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 44.001 43.224 -8.242 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 78.272 39.931 2.707 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 31.880 29.018 34.192 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 60.843 82.969 -14.646 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 61.034 84.248 -0.343 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 21.672 57.416 35.016 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 58.691 72.799 55.808 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 78.542 69.923 59.048 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 37.877 32.377 3.550 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 88.635 2.590 -2.612 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 37.283 60.824 63.681 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 76.536 87.687 -3.321 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 54.155 96.462 0.584 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 68.178 44.612 50.981 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 88.359 91.474 63.008 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 44.859 20.219 65.156 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 58.477 78.021 28.464 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 76.574 16.548 59.563 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 66.427 20.707 55.270 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 72.662 79.750 4.239 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 74.876 41.770 60.691 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 77.154 90.746 59.236 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 73.589 90.801 11.059 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 33.568 93.004 31.333 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 47.509 44.777 3.493 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 41.993 38.552 -18.884 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 72.400 36.352 42.952 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 60.313 22.887 63.958 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 84.493 59.898 -9.122 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 81.281 72.908 11.861 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 76.334 73.940 -16.694 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 76.326 81.120 15.282 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 71.620 40.007 -16.176 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 52.765 92.789 62.059 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 23.949 85.393 4.740 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 35.316 74.452 24.978 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 39.963 6.571 34.780 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 46.835 4.692 -6.382 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 38.015 69.516 56.101 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 78.619 47.892 33.758 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 52.851 22.875 37.575 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 85.943 34.638 -9.889 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 55.756 14.205 -11.276 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 88.616 73.071 -18.844 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 66.067 45.413 63.770 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 21.141 8.690 53.505 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 26.367 47.889 39.471 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 83.625 52.315 42.475 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 57.964 14.744 24.096 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 37.546 36.709 53.779 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 84.969 9.338 40.149 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 27.900 44.478 58.772 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 27.562 34.679 40.992 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 69.815 26.470 -16.048 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 52.633 11.275 -2.426 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 47.229 23.462 -19.868 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 34.636 48.294 40.668 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 31.320 57.446 43.129 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 34.583 50.384 32.356 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 25.337 8.044 6.248 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 68.583 30.242 57.230 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 89.427 93.440 45.501 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 56.177 4.123 23.630 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 22.748 28.897 54.864 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 61.723 69.061 41.571 1.00 0.00 ION NA END